#METABOLOMICS WORKBENCH hormel101_20170203_114724 DATATRACK_ID:839 STUDY_ID:ST000549 ANALYSIS_ID:AN000837 PROJECT_ID:PR000383 VERSION 1 CREATED_ON February 9, 2017, 9:21 am #PROJECT PR:PROJECT_TITLE Mayo Metabolomics Pilot and Feasibility Award: Role of muscle insulin and IGF-1 PR:PROJECT_TITLE signaling on serum and muscle metabolite profiles PR:PROJECT_SUMMARY Skeletal muscle insulin resistance is a cardinal feature of the pathogenesis of PR:PROJECT_SUMMARY type 2 diabetes. Insulin and IGF-1 signal through their highly related receptors PR:PROJECT_SUMMARY to impact on many aspects of muscle physiology including glucose homeostasis, PR:PROJECT_SUMMARY protein metabolism, and mitochondrial function. Early physiological studies, as PR:PROJECT_SUMMARY well as recent large scale metabolomic studies, have shown that changes in PR:PROJECT_SUMMARY specific pools of circulating amino acid metabolites, such as branched chain PR:PROJECT_SUMMARY amino acids (BCAAs), are associated with insulin resistance and can predict PR:PROJECT_SUMMARY future diabetes, but the source and impact of these changes in amino acids are PR:PROJECT_SUMMARY not fully understood. We have recently generated mice which lack insulin PR:PROJECT_SUMMARY receptors (IR) or IGF-1 receptors (IGF1R) or both in muscle using Cre lox PR:PROJECT_SUMMARY recombination. We find that mice which lack only IR or only IGF1R in muscle show PR:PROJECT_SUMMARY minimal changes in muscle mass, but do display increases in proteasomal activity PR:PROJECT_SUMMARY and autophagy in muscle. On the other hand, mice with combined loss of both IR PR:PROJECT_SUMMARY and IGF1R display markedly decreased muscle mass and enhanced degradation PR:PROJECT_SUMMARY pathways, associated with increased protein synthesis, and display changes in PR:PROJECT_SUMMARY mitochondrial gene regulation, indicating that both receptors can compensate to PR:PROJECT_SUMMARY some extent for loss of the other. We hypothesize that IR and IGF1R signaling in PR:PROJECT_SUMMARY muscle coordinate amino acid metabolite turnover and fuel PR:PROJECT_SUMMARY substrate/mitochondrial metabolism, and that in insulin resistant states, PR:PROJECT_SUMMARY changes in protein metabolism and mitochondrial function disrupt relative PR:PROJECT_SUMMARY proportions of amino acid metabolites, which in turn contribute to diabetes risk PR:PROJECT_SUMMARY and/or muscle pathology. We propose to test this hypothesis by performing large PR:PROJECT_SUMMARY scale metabolomics on serum and muscle from mice lacking IR, IGF1R or both in PR:PROJECT_SUMMARY muscle, and we will compare these changes to both insulin deficient PR:PROJECT_SUMMARY streptozotocin-treated and insulin resistant diet-induced obese mouse models. To PR:PROJECT_SUMMARY gain insight into which pathways are critical for metabolite changes, we will PR:PROJECT_SUMMARY also treat mice with specific inhibitors of mTOR, a common protein synthesis PR:PROJECT_SUMMARY pathway, as well as inhibitors of autophagy or proteasomal degradation and PR:PROJECT_SUMMARY determine metabolite concentrations in muscle and serum. These studies will PR:PROJECT_SUMMARY identify specific pathways that impact amino acid and mitochondrial metabolite PR:PROJECT_SUMMARY flux which are perturbed in insulin resistant states, and potentially provide PR:PROJECT_SUMMARY insights into how changes in amino acid metabolites contribute to diabetes risk. PR:INSTITUTE Mayo Clinic PR:LAST_NAME O'Neill PR:FIRST_NAME Brian PR:ADDRESS One Joslin Place, Boston, MA 02215 PR:EMAIL brian.o'neill@joslin.harvard.edu PR:PHONE 617-309-2400 #STUDY ST:STUDY_TITLE Investigating large scale metabolomics in mice serum lacking insulin receptors ST:STUDY_TITLE and IGF-1 receptors ST:STUDY_SUMMARY Large scale metabolomics from control, M-IR-/-, M-IGF1R-/- , and MIGIRKO mice ST:STUDY_SUMMARY serum. Also compare mice on a chow diet to mice on a high fat diet (HFD). ST:INSTITUTE Mayo Clinic ST:LAST_NAME O'Neill ST:FIRST_NAME Brian ST:ADDRESS One Joslin Place, Boston, MA 02215 ST:EMAIL brian.o'neill@joslin.harvard.edu ST:PHONE 617-309-2400 #SUBJECT SU:SUBJECT_TYPE Mouse SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10900 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS 867 19jan15_44 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 740 19jan15_45 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1191 19jan15_46 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1227 19jan15_47 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1192 19jan15_48 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 783 19jan15_49 Group:Control | Genotype:IGFR lox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 869 19jan15_50 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 865 19jan15_51 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 780 19jan15_52 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 743 19jan15_53 Group:Control | Genotype:IGFR lox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 741 19jan15_54 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 189 19jan15_55 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1236 19jan15_56 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 817 19jan15_57 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 546 19jan15_58 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 723 19jan15_59 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 721 19jan15_60 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 813 19jan15_61 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 814 19jan15_62 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 742 19jan15_63 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 193 19jan15_64 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1195 19jan15_65 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 722 19jan15_66 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1226 19jan15_67 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 719 19jan15_68 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1228 19jan15_69 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 185 19jan15_70 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 747 19jan15_71 Group:Control | Genotype:IGFR lox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 191 19jan15_72 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1238 19jan15_73 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 781 19jan15_74 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1193 19jan15_75 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 1221 19jan15_76 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 549 19jan15_77 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 850 19jan15_78 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 864 19jan15_79 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 551 19jan15_80 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=NHILIC SUBJECT_SAMPLE_FACTORS 867 19jan15_04-r001 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 740 19jan15_05 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1191 19jan15_06 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1227 19jan15_07 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1192 19jan15_08 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 783 19jan15_09 Group:Control | Genotype:IGFR lox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 869 19jan15_10 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 865 19jan15_11 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 780 19jan15_12 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 743 19jan15_13 Group:Control | Genotype:IGFR lox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 741 19jan15_14 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 189 19jan15_15 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1236 19jan15_16 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 817 19jan15_17 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 546 19jan15_18 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 723 19jan15_19 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 721 19jan15_20 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 813 19jan15_21 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 814 19jan15_22 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 742 19jan15_23 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 193 19jan15_24 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1195 19jan15_25 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 722 19jan15_26 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1226 19jan15_27 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 719 19jan15_28 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1228 19jan15_29 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 185 19jan15_30 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 747 19jan15_31 Group:Control | Genotype:IGFR lox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 191 19jan15_32 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1238 19jan15_33 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 781 19jan15_34 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1193 19jan15_35 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 1221 19jan15_36 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 549 19jan15_37 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 850 19jan15_38 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 864 19jan15_39 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 551 19jan15_40 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PHILIC SUBJECT_SAMPLE_FACTORS 867 05jan15_04-r001 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 867 05jan15_04-r002 Group:HFD | Genotype:Irlox replicate=2; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 740 05jan15_05-r001 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 740 05jan15_05-r002 Group:IGFRKO | Genotype:IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1191 05jan15_06-r001 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1191 05jan15_06-r002 Group:CD | Genotype:Irlox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1227 05jan15_07-r001 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1227 05jan15_07-r002 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1192 05jan15_08-r001 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1192 05jan15_08-r002 Group:CD | Genotype:Irlox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 783 05jan15_09-r001 Group:Control | Genotype:IGFR lox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 783 05jan15_09-r002 Group:Control | Genotype:IGFR lox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 869 05jan15_10-r001 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 869 05jan15_10-r002 Group:HFD | Genotype:Irlox replicate=2; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 865 05jan15_11-r001 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 865 05jan15_11-r002 Group:HFD | Genotype:Irlox replicate=2; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 780 05jan15_12-r001 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 780 05jan15_12-r002 Group:IGFRKO | Genotype:IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 743 05jan15_13-r001 Group:Control | Genotype:IGFR lox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 743 05jan15_13-r002 Group:Control | Genotype:IGFR lox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 741 05jan15_14-r001 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 741 05jan15_14-r002 Group:IGFRKO | Genotype:IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 189 05jan15_15-r001 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 189 05jan15_15-r002 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1236 05jan15_16-r001 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1236 05jan15_16-r002 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 817 05jan15_17-r001 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 817 05jan15_17-r002 Group:IRKO | Genotype:IR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 546 05jan15_18-r001 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 546 05jan15_18-r002 Group:Control | Genotype:Irlox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 723 05jan15_19-r001 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 723 05jan15_19-r002 Group:IRKO | Genotype:IR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 721 05jan15_20-r001 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 721 05jan15_20-r002 Group:Control | Genotype:Irlox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 813 05jan15_21-r001 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 813 05jan15_21-r002 Group:Control | Genotype:Irlox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 814 05jan15_22-r001 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 814 05jan15_22-r002 Group:IRKO | Genotype:IR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 742 05jan15_23-r001 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 742 05jan15_23-r002 Group:IGFRKO | Genotype:IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 193 05jan15_24-r001 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 193 05jan15_24-r002 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1195 05jan15_25-r001 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1195 05jan15_25-r002 Group:CD | Genotype:Irlox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 722 05jan15_26-r001 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 722 05jan15_26-r002 Group:IRKO | Genotype:IR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1226 05jan15_27-r001 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1226 05jan15_27-r002 Group:Control | Genotype:IRlox IGFR lox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 719 05jan15_28-r001 Group:Control | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 719 05jan15_28-r002 Group:Control | Genotype:Irlox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1228 05jan15_29-r001 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1228 05jan15_29-r002 Group:Control | Genotype:IRlox IGFR lox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 185 05jan15_30-r001 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 185 05jan15_30-r002 Group:Control | Genotype:IRlox IGFR lox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 747 05jan15_31-r001 Group:Control | Genotype:IGFR lox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 747 05jan15_31-r002 Group:Control | Genotype:IGFR lox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 191 05jan15_32-r001 Group:Control | Genotype:IRlox IGFR lox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 191 05jan15_32-r002 Group:Control | Genotype:IRlox IGFR lox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1238 05jan15_33-r001 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1238 05jan15_33-r002 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 781 05jan15_34-r001 Group:IGFRKO | Genotype:IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 781 05jan15_34-r002 Group:IGFRKO | Genotype:IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1193 05jan15_35-r001 Group:CD | Genotype:Irlox replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1193 05jan15_35-r002 Group:CD | Genotype:Irlox replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1221 05jan15_36-r001 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 1221 05jan15_36-r002 Group:MIGIRKO | Genotype:IR -/- IGFR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 549 05jan15_37-r001 Group:IRKO | Genotype:IR -/- replicate=1; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 549 05jan15_37-r002 Group:IRKO | Genotype:IR -/- replicate=2; Diet=Chow; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 850 05jan15_38-r001 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 850 05jan15_38-r002 Group:HFD | Genotype:Irlox replicate=2; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 864 05jan15_39-r001 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS 864 05jan15_39-r002 Group:HFD | Genotype:Irlox replicate=2; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS - 05jan15_40-r001 Group:HFD | Genotype:Irlox replicate=1; Diet=High Fat Diet; chromatography=PC18 SUBJECT_SAMPLE_FACTORS - 05jan15_40-r002 Group:HFD | Genotype:Irlox replicate=2; Diet=High Fat Diet; chromatography=PC18 #COLLECTION CO:COLLECTION_SUMMARY mouse serum #TREATMENT TR:TREATMENT_SUMMARY Mice lacking insulin receptors (IR -/- genotype, IRKO group), or IGF-1 receptors TR:TREATMENT_SUMMARY (ICF-1 -/- genotype, IGFRKO group), or both (MIGIRKO group) were generated using TR:TREATMENT_SUMMARY Cre lox recombination. Controls (group control and CD) were IR lox/lox, IGF-1 TR:TREATMENT_SUMMARY lox/lox, or both genotypes. Additional, 10 mice were included that were fed TR:TREATMENT_SUMMARY different diets for 8 weeks, chow or high fat diet (group HFD). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY large scale metabolomics in mouse serum #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 1290 Infinity CH:COLUMN_NAME Waters Acquity BEH Amide (150 x 2.1mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6550 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS intensity MS_METABOLITE_DATA_START Samples 19jan15_04-r001 19jan15_05 19jan15_06 19jan15_07 19jan15_08 19jan15_09 19jan15_10 19jan15_11 19jan15_12 19jan15_13 19jan15_14 19jan15_15 19jan15_16 19jan15_17 19jan15_18 19jan15_19 19jan15_20 19jan15_21 19jan15_22 19jan15_23 19jan15_24 19jan15_25 19jan15_26 19jan15_27 19jan15_28 19jan15_29 19jan15_30 19jan15_31 19jan15_32 19jan15_33 19jan15_34 19jan15_35 19jan15_36 19jan15_37 19jan15_38 19jan15_39 19jan15_40 Factors Group:HFD | Genotype:Irlox Group:IGFRKO | Genotype:IGFR -/- Group:CD | Genotype:Irlox Group:MIGIRKO | Genotype:IR -/- IGFR -/- Group:CD | Genotype:Irlox Group:Control | Genotype:IGFR lox Group:HFD | Genotype:Irlox Group:HFD | Genotype:Irlox Group:IGFRKO | Genotype:IGFR -/- Group:Control | Genotype:IGFR lox Group:IGFRKO | Genotype:IGFR -/- Group:MIGIRKO | Genotype:IR -/- IGFR -/- Group:MIGIRKO | Genotype:IR -/- IGFR -/- Group:IRKO | Genotype:IR -/- Group:Control | Genotype:Irlox Group:IRKO | Genotype:IR -/- Group:Control | Genotype:Irlox Group:Control | Genotype:Irlox Group:IRKO | Genotype:IR -/- Group:IGFRKO | Genotype:IGFR -/- Group:MIGIRKO | Genotype:IR -/- IGFR -/- Group:CD | Genotype:Irlox Group:IRKO | Genotype:IR -/- Group:Control | Genotype:IRlox IGFR lox Group:Control | Genotype:Irlox Group:Control | Genotype:IRlox IGFR lox Group:Control | Genotype:IRlox IGFR lox Group:Control | Genotype:IGFR lox Group:Control | Genotype:IRlox IGFR lox Group:MIGIRKO | Genotype:IR -/- IGFR -/- Group:IGFRKO | Genotype:IGFR -/- Group:CD | Genotype:Irlox Group:MIGIRKO | Genotype:IR -/- IGFR -/- Group:IRKO | Genotype:IR -/- Group:HFD | Genotype:Irlox Group:HFD | Genotype:Irlox Group:IRKO | Genotype:IR -/- C18 H10 N6 O10 S2 1 19385 20999 4893 30762 1 1 1 1 17247 16662 1 14717 1 15675 16712 16533 12163 11762 1 8367 20662 15774 1 1 10495 8879 12177 9873 1 11857 14737 1 14097 1 1 1 Demethyltexasin 1 51097 6944 1 14903 12476 1 1 18847 47502 35075 98365 132448 1 1 1 2903 3768 10204 66476 55168 1 1 1 1 1 7483 1 86393 1 10017 1 1 1 1 1 1 L-Ascorbic acid 27454 22009 49156 23234 1 29133 31227 1 46607 33902 24531 46097 37551 20231 23619 22971 28940 19640 7301 22405 27331 39128 13527 24168 1 27638 20764 22226 12356 1 20321 27812 16745 46421 19842 17945 26578 140.0108@0.742 1 1 4627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Hispidol 1 136540 21957 11968 26068 17615 1 1 33308 122692 91106 105949 167883 10699 1 8680 26858 17878 40051 192807 67178 1 13128 17774 1 27106 28838 15546 127063 1 35255 1 18534 1 1 1 1 378.7542@0.7529944 1 1 31362 1 1 17433 20117 1 47444 15184 31948 1 10194 20674 1 23270 18458 1 15530 1 25694 1 1 1 1 7002 1 17191 1 1 17014 16185 1 1 1 17864 1 380.7522@0.75264007 1 1 29077 1 1 17197 15244 1 8753 17537 31266 11889 11426 18155 1 21747 20755 12093 16057 14458 26416 1 20026 1 1 1 1 18150 1 1 1 16044 1 1 13153 20784 1 191.9953@0.7545973 1 1 2224 3653 1 1 1 1 1 1 1 1 1 2533 3437 3416 1 1 1 1 1 1 1 2545 1 1 2929 1 1 1 2253 2677 1 1 3300 2761 1 C15 H14 O6 S 1 307956 110413 1 376268 224829 1 1 42656 110399 288853 7731 1 97088 200713 149319 127762 189982 111577 284988 1 20866 88047 1 138004 1 168535 271632 1 1 167407 142985 1 66736 1 1 121189 (R)-benzyl Mandelate 1 471491 229638 1 675818 363072 1 1 296165 200083 520099 21305 1 206552 321387 270682 239191 378619 191507 437718 1 196936 155782 1 240106 1 267444 493732 1 1 314321 239088 1 222016 1 1 201148 C15 H10 N3 O5 S 1 1 18600 1 39310 25987 1 1 11087 10945 1 1 1 17675 1 1 11531 21454 1 1 1 27213 1 1 1 1 1 23328 1 1 28876 1 1 1 1 1 1 C9 H9 N5 O3 S 1 1 4602 1 3014 4615 3331 1 1 5704 6423 4390 4166 2958 1 2743 3299 1 1 7746 4584 1 1 1 1 1 1 3684 1 1 1 1 1 3565 1 2413 1 C15 H3 N2 O2 1 1 6657 1 6822 10502 1 1 11050 1 1 1 1 14873 1 1 1 10918 1 1 1 4349 1 1 1 1 1 1 1 1 1 4378 1 1 1 1 1 4-Hydroxyindole 57310 1276917 258258 81098 323262 773896 104508 86001 509468 663977 559700 231527 225290 207645 70806 250383 588421 262920 313793 337388 130045 115525 310187 312892 199423 175730 235527 747261 93552 31552 425484 266414 235035 206369 123487 70429 117031 246.0798@0.80109215 1 66483 17537 6958 9498 35290 1 1 23798 29559 18288 12290 11627 11146 1 1 14150 8152 13356 12429 4993 6264 1 13021 7767 7061 10277 29377 1 1 18403 11394 9678 5550 5938 1 1 C8 H6 N O 1 278842 106177 1 105601 176501 1 1 118256 147213 135323 66752 61993 55801 1 1 135782 85751 72949 80860 35897 1 11303 71614 1 46642 77025 147222 1 1 116574 72367 53619 48986 27999 1 1 189.0095@0.8051261 1 7719 2860 1 1 1 1 1 4598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5356 1 1 1 1 1 1 1 1 1 C13 H5 O2 S2 9591 1 15714 1 1 1 11394 11763 1 1 8301 1 13339 12278 1 11989 1 9281 17473 6972 10967 10179 15545 18331 1 11885 1 1 9750 5887 1 15468 18595 16599 11674 1 12891 C27 H44 44429 128283 82744 32272 108081 43360 88058 42621 54633 40224 47573 55491 37223 41490 72628 43866 48068 53996 42607 48743 42816 30659 41052 47171 29900 40737 32571 40426 40033 27152 43325 30378 26042 84368 52547 70635 82657 241.0047@0.8333611 1 1 9122 1 11367 29271 1 1 29296 1 1 1 1 1 1 1 1 1 1 1 1 7862 1 1 1 1 1 1 1 1 12420 1 1 1 1 1 1 161.0478@0.8330316 1 1 16956 1 23125 69736 1 1 75496 1 1 1 1 14042 1 1 1 1 1 1 1 15808 1 1 1 1 1 1 1 1 28705 1 1 1 1 1 1 201.009@0.8472592 1 3603 4609 1 1 1 1 1 1 1 1 1 1 1 1 1 3234 1 1 1 1 1 1 1 1944 1 1 1 1 1 1 1 1 1 1 1 1 C27 H42 32755 9774 24697 15344 30264 6480 42190 32283 11253 5701 14402 11151 11266 12681 25734 15254 12956 31343 26097 11755 8196 11123 9203 8777 31679 19494 26454 4283 10249 12405 5629 5584 1 1 10855 33073 24387 C32 H36 N3 O3 15672 1 10333 1 1 5023 10803 12908 4862 1 4548 8444 7534 8257 1 8107 3609 7001 9243 3427 8835 6643 8639 8496 1 6426 1 3051 8658 9492 5022 6305 7747 1 11488 1 1 C22 H O 1 23172 14180 1 1 16063 1 1 1 8323 23547 8113 12041 7696 1 3427 19438 1 1 1 1 1 1 1 8699 1 1 14682 1 1 7620 1 1 12652 1 1 1 245.0365@0.88503504 1 13630 8458 1 1 5488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16272 1 1 1 1 1 1 1 1 1 1 Epinephrine sulfate 1 1111927 181810 261611 112878 1368168 1 1 1221092 443328 1481126 382746 538723 474002 239356 145223 598609 322021 274807 115818 377156 36358 41426 464734 109120 346477 43656 781666 393388 76685 760296 37366 249385 244243 1 1 132146 C7 H4 N6 O4 S 1 227595 98337 108207 69167 184849 1 1 137695 135103 145949 163534 156215 113381 96184 86986 140002 146497 147272 62635 135014 24350 29676 186985 69938 156487 26097 161054 137093 55102 172444 29905 139612 125365 1 1 81919 C27 H42 + 0.90270376 17832 5379 11392 16593 57407 9329 36523 8586 8803 1 28883 6844 11282 13833 23302 12871 29470 29611 30335 11176 6595 8445 14397 7713 39518 42087 23738 8497 10147 101638 7973 1 1 3405 1 1 9847 GW 9662 1 19758 19457 1 20621 30097 1 1 80850 56492 70488 1 1 33130 1 3275 22929 19804 25098 60892 21989 1 1 1 1 1 1 78506 1 1 39004 17561 1 1 1 1 1 C9 H13 N O7 S 1 15940 22622 40001 14774 42645 3238 1 31182 73950 112376 42787 35311 48039 21773 17915 90285 42448 33701 95904 28267 1 13479 35520 15514 54331 44636 55055 21703 4264 24158 6388 29362 29407 1 1 34999 697.5497@0.9405877 1 1 7134 1 19436 8369 9902 1 9132 1 1 5112 10081 1 1 4216 5553 1 1 1 1 1 6374 1 1 1 1 5294 1 1 1 1 1 4751 1 1 3845 459.2862@0.9637725 1 11691 5801 95726 7711 1 1 1 1 9673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10818 1 1 1 1 8177 1 1 1 1 1 1 464.2413@0.95696414 1 1 3890 47979 1 1 1 1 1 3894 1 1 1 1 1 1 1 1 2913 1 1 1 1 1 1 5376 1 1 1 1 1 1 1 1 1 1 1 367.2329@1.0122453 1 1 6877 9776 1 1 5656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2753 1 62167 1 C15 H35 Cl N3 S2 19827 8201 20514 13190 25846 26755 19389 1 18911 26186 13473 1 13245 11052 16439 1 4530 1 1 18902 5306 1 1 8230 1 8655 6465 7646 9327 1 1 12189 1 6420 6636 15661 3749 C8 H4 N3 O5 S 26728 47107 30247 1 1 34995 37593 1 31299 52470 40724 18098 28175 25873 37882 20503 46924 1 30407 42876 32112 31889 1 11725 25106 45944 41423 27864 1 3279 16145 28980 1 1 1 1 36600 1198.7661@0.9932943 1 34030 21568 1 1 1 12866 1 18056 12044 1 31064 21180 13933 1 16198 11176 8504 1 1 18892 8836 1 26498 15883 1 1 19994 10696 5014 10951 13675 1 1 8404 1 1 1193.809@0.9948869 1 1417485 991037 19229 1 445214 466549 1 1175327 532714 569632 1281546 980693 449846 1 765748 653034 254558 274329 421538 1 276570 146314 886736 696489 1 1 879042 294191 382142 962340 396819 1 92070 167293 138082 138791 Norepinephrine sulfate 36789 1 97584 37783 76604 98169 101759 1 116165 126842 123940 64752 76730 60947 59258 55096 138586 27910 57384 133630 138316 75302 25886 23544 49499 91938 82566 83470 12833 9070 62311 66297 20247 60603 12034 14960 62799 1209.8032@0.9963271 1 1 142864 1 1 1 62626 1 1 81202 1 171333 144189 1 1 97349 90520 27997 47841 55959 1 38819 1 1 1 1 1 1 37533 91071 138852 65352 1 11258 30253 1 25184 1137.7476@0.99676216 1 29898 18318 1 1 1 9228 1 19848 10150 13199 24541 17461 1 1 13286 10855 1 5054 8808 21994 5949 1 24427 11425 1 1 13433 5979 7649 17830 7917 1 1 1 1 1 1225.798@0.99705565 1 104872 23461 1 1 1 28182 1 1 22680 1 45846 40678 48270 1 24865 23879 1 17248 15522 82552 11343 1 95320 59242 1 1 70557 19957 27685 32700 17610 1 1 13675 14745 1 1241.7935@0.997456 1 37436 19097 1 1 1 11302 1 1 13245 1 38010 23343 12878 1 12210 10019 1 1 11165 23535 1 1 22334 14460 1 1 18592 8794 11345 21635 8523 1 1 1 1 1 1145.3173@1.003144 93843 284391 157968 271520 118798 1 397792 1 173635 82099 196549 203110 81383 66277 89701 103321 134594 131890 73785 25967 133563 103889 120045 132358 48686 194132 124349 52168 80084 65783 417271 250445 1 78503 85151 116856 90705 1071.2996@1.0033499 133379 294935 195763 378524 167451 1 597150 1 233046 111022 286496 423885 118121 92221 121391 108616 281115 192401 98001 13590 180931 151229 120288 134332 53156 222352 129560 101639 80635 124989 392018 345262 1 107827 107633 120272 89437 1076.2968@1.0054973 1 1 14734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5543 1 1 1 1 1 1 1 1 6125 1 8715 1 1 1 1 1 1 1 939.7312@1.0059811 1 1 6504 21462 1 1 1 1 1 1 1 6378 22314 1 1 1 1 1 1 1 13526 1 1 1 1 1 1 1 1 1 7670 13294 1 32502 1 1 1 1219.3354@1.0043726 83001 124431 98094 244784 74328 161733 280602 226910 114669 14974 143259 187630 56784 11216 52357 72738 81330 82522 31545 16799 127679 48172 1 90475 20659 115260 82338 46574 9105 62974 252837 47230 1 13379 53265 14765 11814 1000.2801@1.0045232 65267 143105 64624 161777 1 94226 202769 1 71986 50939 89324 144577 38374 1 40156 1 97347 62729 1 1 90103 1 52620 61529 1 118728 64570 1 40532 49771 184354 146531 1 50955 1 50275 41213 997.2817@1.0047747 175615 397235 184604 468935 1 281287 550612 1 1 146538 247671 389317 106499 42463 116317 193871 255517 176955 149141 78445 234327 193723 142541 172299 100838 318842 176935 36642 117709 129955 499873 442804 1 137876 1 145739 111978 969.2272@1.007 1 1 5058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.2844@1.0074333 6710 1 10938 11432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4125 1 1 1 6463 1 1 1 1 1 1 1 1 1 1 6530 7079 1 965.7477@1.006802 1 15212 16128 22109 1 14732 1 1 1 1 1 15707 26503 6536 1 1 1 1 1 7699 1 1 12778 30145 1 1 1 13196 1 1 7931 5599 1 27072 1 1 1 933.6326@1.0072644 1 132338 93313 1 1 28631 25804 1 91072 50783 32301 116626 55342 21024 1 30825 21792 6823 13417 50043 119607 13046 1 83908 50476 1 1 70211 17241 19670 56203 17304 7598 1 1 1 1 926.262@1.0072995 70297 140036 66212 168412 1 1 208200 1 1 1 1 145936 39418 1 44911 56883 89628 59917 1 26206 82982 52269 45623 65279 17183 124318 63260 48592 50866 1 177855 150888 1 1 36808 52318 1 923.2634@1.0074075 222423 453503 213546 532494 1 1 650254 1 1 1 1 473066 127296 1 140596 183604 287167 206265 1 82237 275237 170722 1 210712 105434 399644 206339 149811 161076 1 577048 500922 1 1 123966 169499 1 903.7495@1.0087591 1 1 12253 1 1 1 1 1 1 1 1 2529 1 1 1 1 1 4043 1 1 1 1 1 1 5013 3143 1 1 1 1 1 1 1 1 1 1 1 995.3012@1.0097662 8553 1 5802 4360 1 2740 13676 149882 1 7722 11490 5662 1 1 1 6599 6544 5920 10453 1 10017 1 1 1 2457 5588 1 1 5026 1 12433 1 1 1 43888 1 1 941.7463@1.0119835 1 9473 9461 1 1 1 1 1 1 1 1 10733 1 6447 1 1 1 1 1 7575 1 1 1 15721 1 1 1 1 6011 669586 1 1 1 1 1 1 1 771.2659@1.009055 41326 55101 47880 34552 48131 47828 63650 1 34108 41395 19015 49950 31586 34060 31415 31089 41307 42177 39644 32105 31315 36681 35905 32071 29397 8147 29233 35695 5654 35767 5167 45658 1 34978 39279 40051 41397 991.7573@1.0067686 1 9269 9932 1 1 1 1 1 1 2351 1 4217 1 1 1 1 1 1 1 5075 13252 1 1 18369 1 1 1 1 1 1 4549 9849 1 10914 1 1 1 845.2847@1.010419 28244 23880 48073 42192 33917 1 11276 1 1 26423 1 6769 33801 31557 24534 23521 30915 32272 9135 24844 37585 27043 28261 33130 1 31039 30403 23330 25464 26820 44265 21785 1 29603 32969 31578 31704 774.2507@1.0097471 1 1 14427 18238 1 1 1 1 1 1 1 1 9404 11637 9116 8191 1 1 12117 7049 13853 1 1 11039 10330 1 9874 1 1 10186 1 1 1 1 1 1 1 697.2469@1.01001 11914 62610 48037 55122 37021 49546 64436 8146 36582 43666 16670 50455 38675 37040 36162 42465 45486 42611 38984 27726 50604 38235 32567 40399 39521 10484 37978 6042 32041 15102 4067 4013 30446 38086 38093 42753 44432 895.2105@1.0110228 1 1 8207 1 1 1 5543 1 1 1 1 1 4179 1 6928 1 4959 1 1 1 1 1 1 1 1 1 1 1 1 3679 1 1 1 1 1 1 1 595.3936@1.0101901 20351 1 11662 17332 11559 15123 6346 1 1 7180 1 1 9466 5284 30470 1 1 14184 1 1 1 1 1 9160 1 91993 8544 1 1 7170 1 1 10805 20236 11791 19162 14905 852.2431@1.0107596 67793 129641 64379 142954 55118 68121 184496 1 59739 45419 1 146958 39051 39951 43168 54590 76385 56120 49261 29767 72720 45489 36935 60761 36013 120792 57601 49000 59381 54858 155830 128678 1 44327 34832 44327 34753 849.2449@1.0105537 256405 485245 238825 564745 219729 270720 693294 1 218203 183328 1 559108 150010 154958 157260 214860 305475 218097 181323 112430 288710 182991 151108 241643 138344 467373 230752 191707 223099 204605 596458 520851 1 168756 128657 173498 142786 820.2049@1.012342 53401 1 15603 1 17619 22004 1 1 1 1 11813 1 9405 1 1 1 1 1 1 1 1 1 13538 7323 1 1 7563 1 1 1 4488 9493 19741 14779 51115 1 6575 1069.3192@1.0280694 1 1 8761 1 1 2473 6563 1 1 1 1 5556 3381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5969 2229 1 1 1 1 1 927.5206@1.011941 1 1 12410 1 1 1 1 1 4666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6246 1 1 1 1 1 1 1 1 1 1 1 1 1 700.2311@1.0120283 1 1 13427 1 9837 1 1 1 1 1 1 1 8863 11726 8913 1 1 1 11538 1 1 1 1 1 1 1 1 1 1 9687 1 1 1 1 1 1 1 798.2408@1.0146337 19589 1 28651 1 35188 1 1 1 43532 8232 34605 17445 19907 18848 17919 14769 17654 1 1 1 1 1 16749 13546 1 18738 13573 1 1 1 7023 17390 1 25969 22552 28628 7860 949.6266@1.0123534 1 15400 6768 1 1 1 1 1 8989 3678 1 9647 1 1 1 1 1 1 1 4136 8360 1 1 1 1 1 1 5552 1 1 1 1 1 1 1 1 1 872.2593@1.0161245 30805 37302 12977 29705 43775 1 20121 59123 69482 27467 53496 14711 23503 27080 23026 17599 23954 28131 6530 1 1 21572 28995 1 5909 23464 21238 6249 1 14527 1 26164 84084 37152 36210 42868 31657 873.2609@1.0313057 1 1 27377 1 14813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 729.5345@1.014 1 1 13056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005.6533@1.0252556 1 6946 3761 1 1 1 1 1 1 1 1 5229 1 1 1 1 1 1 1 1 1 1 1 4772 1 5578 1 1 1 1 1 1 1 1 1 1 1 C30 H58 O4 S 413595 838424 828710 1019181 306034 1234365 812113 625457 464613 307524 1 412823 247654 198243 491315 234186 367917 853202 1 30681 616956 361928 145071 648140 21968 1861893 120702 33860 62601 165856 518419 492951 720901 150219 303837 784575 266545 730.4754@1.0143248 1 2051 5403 1 1 1 1 1 1 1 1 3361 1 1 1 1 1 2831 1 1 1 1 1 1 1 4827 1 1 1 1 1 1 1 1 1 1 1 C35 H74 Cl N9 11161 19138 26653 34930 21512 1 13840 1 51203 1 9066 15763 14683 1 1 8845 11647 1 15541 1 1 1 1 13234 25159 19031 1 10203 12376 88798 9751 1 1 1 6851 1 1 705.5292@1.0166469 1 1 12375 1 1 1 1 1 1 1 1 10451 2955 1 1 1 1 1 1 1 1 1 1 3632 1 1 1 1 1 1 1 1 1 1 1 1 1 949.2774@1.0263888 1 6103 5332 4039 10332 1 1 1 12507 1 1 1 1 1 1 1 5057 5932 1 1 3965 1 1 1 1 1 1 1 1 1 1 5116 36305 1 8290 1 6208 743.1926@1.0151968 27795 27885 45867 35955 71232 71756 24085 73716 60327 19206 58444 13622 30180 28933 19993 17145 1 27753 1 1 18605 21371 74589 19357 1 28780 18579 1 1 11865 1 8610 79858 43583 40208 40874 1 C33 H19 N18 O5 14806 1 14963 16404 17504 21214 5110 16651 15784 8240 1 5912 1 1 8906 1 1 14097 1 1 10935 9716 1 3789 1 7848 1 1 1 6674 5807 1 20120 1 1 1 1 775.2251@1.0157659 5346675 5928830 251894 557004 208328 251130 5587151 145211 224274 185853 209006 4212035 162831 156370 165066 3399378 4516098 222362 232610 1237436 4212096 189308 139401 4367358 1635961 5814533 3657141 1580834 1911375 3500436 1 5450485 1 181263 143972 185786 148748 778.2243@1.0159129 62523 1299834 57068 113771 45683 54746 1241166 1 52639 39249 52979 927062 33680 31688 35866 747152 987828 45913 48149 251934 933353 38840 29631 942871 350329 1301024 810797 341208 414593 784707 1 1204329 1 41284 31714 40895 32247 623.228@1.0141075 25478 1 21167 1 1 1 1 1 1 3985 5797 1 1 19461 1 17626 21957 1 22986 1 21810 16128 1 1 20436 1 27817 2976 2132 1 1 1 1 1 1 1 1 753.5908@1.0486847 2546 1 8709 14009 3521 1 7279 12898 1 1 1 1 3586 1 8022 1 5832 8875 1 4619 1 1 1 1 9866 7847 1 1 1 126456 1 1 1 1 2595 4880 7290 709.5678@1.0155567 1 1 26539 1 1 1 1 1 10468 1 1 5801 1 1 1 1 1 1 1 4181 3507 1 1 7327 1 1 1 1 1 1 1 1 1 1 1 1 1 640.503@1.014782 1 8741 6472 1 1 1 1 1 1 1 1 1 1 2403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 946.278@1.0215094 15742 20165 19319 18406 1 1 4765 31438 46406 6591 1 1 19210 25746 1 13171 19130 20285 1 3079 15844 17232 85520 1 1 21798 16421 1 1 11973 5459 20890 1 11346 25803 42845 24846 757.2146@1.0166359 1 1 1.05E+07 7180657 1.59E+07 1.76E+07 1 1.88E+07 1.49E+07 4633011 1.28E+07 1 4333528 4662532 4098431 1 1 5444572 1565389 1 1 3932588 1.45E+07 1 1 1 1 1 1 1 5475579 1 2.05E+07 6362350 5579232 6815318 4321867 760.2141@1.0247982 1127752 1 2240709 1548421 1 1 1 1 1 1014464 1 1 953343 1017972 908639 1 1 1181555 337075 1 1 875887 1 1 1 1 1 1 1 1 1210204 1 1625947 1334382 1215840 1507066 977676 659.55@1.0182431 1 1 227016 4015 1 55279 1 1 1 1 1 1 30759 1 1 1 1 1 1 1 1 1 1 93126 1 1 1 1 1 1 1 1 1 1 1 1 1 679.5161@1.0171659 1 11414 16651 1 1 1 1 1 1 1 1 83927 1 1 1 1 1 1 1 1 1 1 1 10056 1 1 1 1 1 1 1 1 1 9664 1 1 1 C40 H26 Cl N9 O 1.15E+07 1.30E+07 1.90E+07 1.79E+07 2.69E+07 3.11E+07 1.06E+07 3.56E+07 2.54E+07 1.14E+07 2.23E+07 5966020 1.05E+07 1.12E+07 8831077 6440888 1.03E+07 1.28E+07 3131251 2595800 8664358 8430932 2.54E+07 7554903 3316378 1.33E+07 7553869 3082734 3984826 6383459 1.28E+07 1.12E+07 3.60E+07 1.49E+07 1.31E+07 1.72E+07 1.05E+07 626.2089@1.0181109 1 1 9353 1 1 1 1 1 1 1 8059 1 1 9348 1 8079 10657 1 1 1 1 1 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2.47E+07 2.93E+07 2.50E+07 2.78E+07 2.34E+07 1.19E+07 5678246 2.83E+07 2.44E+07 2.43E+07 8882715 1.09E+07 1.80E+07 2.89E+07 1.39E+07 1.38E+07 6268610 1.54E+07 1.34E+07 2.70E+07 1.93E+07 1.80E+07 2.72E+07 3.04E+07 592.5003@1.026 1 1 3198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C42 H23 Cl N O 9766 12736 10041 15369 11997 12058 13183 15629 12736 1 11971 1 2980 1 7565 3422 9387 8139 8159 1 7792 2868 9069 5659 7006 15389 8400 10369 17593 5915 11140 10891 11481 8543 7004 10625 7561 C24 H30 N4 O S4 145467 166457 101177 151678 124948 164055 88464 151222 151535 147147 128707 52523 128825 124943 146908 126070 139693 112090 68806 37768 138336 119920 119992 51292 63565 105782 140179 83507 94749 37696 90682 85492 128058 97996 91458 137121 155208 C33 H15 Cl N4 127625 139477 86768 122808 114540 143132 69314 122937 133233 126923 108384 41321 115831 114221 134825 105927 118153 97786 48316 25975 115692 100991 101826 41480 46039 76404 113475 57578 62250 28594 63644 56187 113153 75289 74850 117841 136852 C33 H65 N7 O3 1 23134 63759 1 35462 14756 10806 1 1 1 19146 1 1 11323 1 9522 1 6928 8667 1 10704 10654 1 13827 4809 1 1 11979 10304 1 31644 9310 11006 14296 1 1 1 913.2432@1.029104 1 1 9142 1 13616 15003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10033 2336 1 1 1 1 1 1 1 1 1 1 1 1 1 663.5767@1.0254021 1 1 15728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2959 1 1 1 1 1 1 1370.3723@1.0236418 1 1 14229 1 14781 1 38046 1 1 10651 1 1 1 7234 1 1 1 1 1 1 1 8748 1 15137 1 1 1 5712 1 1 1 1 1 1 1 1 1 C28 H29 N2 O2 S3 52935 39356 33564 52082 40103 59522 26645 47943 40432 35330 39983 19248 45067 35972 53862 35765 34954 41606 19022 11123 54234 41221 40057 19701 17274 39558 50239 22137 26941 14125 30921 26145 47649 36094 32737 48433 52942 C31 H23 N S3 13137 13438 7889 11718 10967 14596 6470 11633 11970 12092 9434 2572 11560 1 1 8627 9972 9361 1 1 10997 8927 8525 1 4129 9533 11278 5372 4728 1 5982 5643 9755 8126 6781 11801 13248 C9 H10 N7 S2 36989 52197 22608 44064 32532 41329 25700 40770 36330 41147 28078 20060 32495 29223 32474 26541 31247 26930 20614 1 32897 26236 28304 13907 21030 34559 35240 29449 41584 1 25837 21984 34193 24837 36178 37634 37107 C30 H65 N8 S 19401 31507 70186 25065 45241 10726 37973 14900 36741 19454 1 27879 1 17055 28869 19591 20320 23720 39351 52710 20452 16489 1 1 29165 33529 18988 33097 34105 34494 1 24720 1 23486 7347 25932 25298 621.5301@1.0744964 1 3765 14752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8213 1 1 1 1 1 1 1 1 1 1 1 573.5336@1.0280801 1 24186 53823 21579 3459 1 6092 1 14982 22122 17043 20205 6927 11060 8129 6157 12583 18957 5408 1 3838 1 1 1 10713 15773 13038 28441 1 13256 1 1 1 1 1 1 2603 638.5667@1.0279167 8913 1 60479 1 1 1 1 1 26865 11380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6178 1 1 1 1 1 601.562@1.0304166 1 7809 11286 10445 8575 1 5301 1 8059 12433 1 3162 4322 1 1 1 4402 12140 1 23924 5144 1 1 3855 9072 6559 5565 7325 3185 3900 1 1 1 1 1 1 1 689.5196@1.050569 1 1 14862 1 1 1 1 1 1 1 1 6975 1 3062 1 1 3193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574.4929@1.0315422 1 1 10497 1 8587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3169 1 1 1 1 1 1 1 1 1 1 1 1 917.7467@1.0317007 1 1 22799 11148 1 8321 1 1 8113 1 1 15718 10164 1 1 1 1 1 1 5340 40128 1 1 1 1 1 1 17216 1 305861 4862 7275 2672 8848 1 1 1 C38 H76 Cl N3 O2 1 1 53384 1 1 17544 1 1 19871 21496 1 22532 1 1 1 1 15876 1 18091 1 18666 1 1 1 1 1 1 31318 15761 1 4890 1 1 1 1 1 1 C35 H76 Cl N6 1 1 18253 9206 99491 1 1 1 1 8968 1 7508 1 1 22298 7288 12709 9130 37337 25358 3876 1 1 1 29243 1 17626 8698 1 1 1 7256 1 29528 1 1 1 559.5169@1.0299003 1 1 40557 8392 1 1 6508 1 8695 7756 1 1 1 1 1 1 5107 1 2995 14163 1 1 1 7401 5290 1 4410 9600 1 4319 1 2418 1 1 1 1 1 C34 H73 N3 O2 S 1 7338 27526 13090 1 1 24697 5951 11041 10282 9208 1 3898 1 7356 1 13482 1 12498 21526 9380 4235 1 1 11454 11078 8551 18723 1 1 1 7190 1 1 1 1 4822 C47 H28 Cl 297048 1 207787 504431 180884 180466 558802 281767 1 194294 179918 413202 160622 159634 177631 233149 257829 219986 376038 249706 243168 196077 151377 1 335875 491148 233491 271622 787008 259143 461726 452766 157682 193354 181623 249410 166983 695.5842@1.0361644 1 1 12789 1 1 1 1 1 4989 1 3426 1 1 1 1 3830 2024 16229 21551 3590 1 1 1 1 1 27436 13249 10667 1 138694 1 1 1 1 1 1 1 2-(3''-Methylthio)propylmalic acid 20662 14741 8877 12821 1 19649 4244 15542 1 10165 1 1 19842 1 23697 12363 9092 10586 1 1 26816 1 16265 1 7694 8989 31800 10500 12111 4069 9398 1 18690 9824 7568 20494 28643 C31 H26 N12 S2 43493 1 27466 69385 27814 26224 1 41623 1 27261 26464 62689 24707 21607 25147 32871 36539 31690 55011 34767 1 28255 1 1 47286 69710 34616 1 108252 35863 67037 64567 23157 27151 1 36700 22462 1022.2957@1.0278473 1 1 4517 1 1 1 3035 1 1 1 1 1 1 1 1 1 1 1 1 1 4959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 641.4315@1.0319705 6650 1 5679 1 1 1 3516 1 1 1 1 4998 1 1 1 1 1 2334 1 3800 1 1 1 6539 1 1 1 1 5948 9343 1 1 1 1 1 1 1 C34 H69 N11 1 10340 15090 17150 1 1 9016 1 12328 8865 1 1 1 6309 1 4522 10743 6398 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133173 234066 158248 C20 H20 N O2 S2 171215 257685 99065 291054 101457 103493 212365 163553 123092 139075 97896 169113 105106 103732 117543 139583 158986 130661 182597 144345 122450 127835 91180 119546 196289 275847 171645 327759 476514 117851 219742 209628 98613 126441 106201 187432 126253 2-(3''-Methylthio)propylmalic acid + 1.0449985 165669 220309 93064 263600 97938 77836 179958 150000 82098 125468 94006 132636 104152 80754 123236 112098 137661 112265 186089 117803 127969 118884 96835 95312 169331 247492 200004 272571 412628 81586 185419 181499 109082 115727 95598 176327 137328 1299.3864@1.0417498 1 4182 4448 1 1 1 1 1 1 4939 6385 1 3451 3975 1 3604 3233 1 2392 4383 1 1 1 1 1 1 1 1 2017 1 1 1 1 1 4355 1 1 607.4453@1.0455418 1 59897 55713 29656 71191 58639 56524 29410 38031 40329 34768 64594 44412 1 29724 42194 23189 60561 32475 33377 27380 15692 1 41874 44716 37458 38634 61242 47296 38981 35913 43802 1 47919 28280 31421 31054 1283.4034@1.0397662 1 20019 408552 7338 1 15082 9547 1 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435181 157594 336745 488504 485695 230058 C27 H36 N14 O5 1.49E+07 2.20E+07 1.19E+07 9868437 1.13E+07 6569255 1.26E+07 5710341 9393310 8003788 7514860 1.32E+07 1.34E+07 8861574 1.04E+07 9685016 7336244 7219819 9153473 5872674 1.02E+07 7477281 1 1.61E+07 1.23E+07 8592028 9511625 7681202 1.01E+07 1.54E+07 9871098 6033111 912032 1916654 1405711 1621731 1461919 Ascidiacyclamide 75234 90173 29149 35299 21006 1 44458 13265 16808 36370 14582 47924 51778 35899 40120 38848 30313 18132 47419 36499 30717 21380 1 50263 55080 23882 31571 32572 36915 33998 29514 1 1 4965 1 1 3637 C36 H57 N2 O8 S2 19160 32144 15885 14280 19267 9986 17351 7901 11983 1 1 1 20677 12471 13543 1 1 1 11576 1 14032 1 1 17738 15542 9783 12858 1 13013 17735 1 7680 1 1 1 1 1 C29 H22 N2 S2 113404 147030 49250 168128 51756 60841 88225 78495 77026 78434 53064 64578 75594 49153 88263 76775 86779 72636 131646 81733 89944 87446 68264 56342 117150 165451 177995 202993 318878 50416 101949 114113 65813 78142 61293 127304 104561 C8 H4 O3 67821 101721 74381 87591 64420 70171 93247 55858 63613 68810 45062 67496 82369 76940 98216 60500 53179 57608 84574 58297 56123 64692 1 77926 82347 87846 1 64193 76331 66945 57943 74675 61933 105709 84742 59686 91100 675.597@1.0637581 1 1 4281 1 1 1 1 1 5297 1 1 1 1 1 1 8668 1 1 4429 5922 1 1 1 1 1 1 1 3710 1 1 1 1 1 11852 1 1 1 587.5246@1.0507106 1 1 11938 1 1 1 1 1 1 5078 1 21247 12482 1 1 1 1 1 1 1 7769 1 2876 1 1 1 1 1 1 1 1 1 4763 1 1 1 8402 1608.7739@1.0470507 84899 388457 71887 1 124655 1 1 1 1 1 1 54255 1 1 1 1 1 1 1 1 1 1 1 102455 1 1 1 1 44520 1 1 1 1 1 1 1 1 567.414@1.0508355 1 1 37368 25447 67059 1 72807 35552 25420 21363 1 1 21671 26572 1 21039 23557 1 28744 1 23956 23668 1 25872 28376 29073 39739 28013 22106 21881 15657 1 1 22341 26498 1 1 1608.2717@1.047669 98570 420914 92945 52708 163972 1 83574 1 1 1 1 71758 81723 1 1 18623 1 1 1 1 1 1 1 128109 55259 1 35692 1 53863 298662 1 1 1 1 1 1 1 C28 H37 N22 1 1 4394 1 1 1 9628 1 1 6933 1 12505 12908 1 11154 11846 8676 7865 16305 8111 11801 9877 7101 28738 26544 16122 19732 1 25595 33868 19389 12036 1 7434 1 1 5840 1444.3903@1.0484848 1 1 14365 35303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12806 1 1 1 1 1 9713 3735 1 1 1 30576 16593 7863 1 1 1 Primflasine 13268 35195 19273 44999 30033 46573 9797 84916 29286 7522 36766 49774 11642 13631 7331 11205 1 1 7411 1 18080 6000 19605 23834 1 30729 15296 5128 1 9915 65509 43077 25848 11775 1 16998 1 C10 H14 N7 S2 44041 70249 26329 1 23433 27135 38198 38378 33388 34582 25468 31941 27823 23192 35252 1 37874 1 57693 36813 31178 31063 31715 26333 51010 1 59410 1 1 1 1 1 28081 36209 28932 52104 38105 985.2662@1.0363581 1 1 69350 1 1 1 1 1 1 1 1 1 1 1 1 1 21361 1 1 1 20436 1 1 1 1 1 1 1 1 1 1 1 1 1 26615 1 1 328.1517@1.0514228 4682 10504 12443 10973 1 1 12746 1 1 17502 1 1 1 1 5964 1 1 1 8915 1 1 1 1 14783 1 7227 1 12040 11723 1 9079 8081 1 1 1 6179 10349 783.6052@1.0540373 1 1 8062 1 1 11195 1 1 1 1 1 1 1 1 1 1 1 8980 1 1 1 1 1 1 12298 1 1 9960 1 1 1 4976 1 1 1 1 3323 C20 H34 O8 56858 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Cl 6363 17266 6032 19341 1 7015 6690 1 1 6595 1 8743 1 4285 1 6261 1 9627 17377 1 1 1 10429 4322 15635 26227 11089 24738 41920 1 11276 15713 6928 11057 6287 14493 1 803.6984@1.0616637 1 1 3547 1 1 1 1 1 10260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 993.3214@1.0510653 1 1 10949 1 4724 1 1 1 1 1 7561 1 15524 1 1 6123 4978 1878 5133 1 1 1 1 1 4708 1 1748 1 1 1 1 1 1 1 9044 7861 3117 515.4168@1.0599891 47472 1 72254 1 77335 1 1 55153 1 42131 84622 1 1 1 45215 50324 1 1 1 46657 96945 45130 1 59309 67595 1 49865 69927 59482 1 59495 77562 1 62807 90479 84614 66338 811.6266@1.0605087 1 1 12665 9524 12470 1 1 1 1 1 1 7846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C33 H38 O7 230380 29803 84377 125138 115071 27394 130989 135322 24958 36268 47374 35090 54537 73853 205512 89090 91300 167267 115283 3569 21669 112790 48814 33453 125730 225067 159696 21436 40382 1 60250 1 1 21025 19571 141941 78794 943.7618@1.058906 1 1 3942 16768 24104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49486 1 1 1 1 1 1 3123 6575 1 1 1 2261 1 3329 1 1 C27 H42 N6 O13 111988 130571 71798 55931 60026 23726 72076 46526 32145 37946 26582 70526 88931 39677 61702 54240 38833 33722 67164 16225 73411 43801 21969 110341 71561 51220 55722 41545 70673 34890 47892 43460 1 1 10323 9908 1 597.2639@1.0611343 1 7461 6118 4498 6401 1 8281 1 1 1 3755 5731 5878 4425 5107 4945 3547 1 2830 1 1 1 1 5781 4650 1 6280 1 1 1 1 1 1 1 1 1 1 Dibutyl phthalate 52722 85945 46201 58568 26414 61234 43913 36071 42004 68029 35237 44651 47118 48921 63751 48279 46097 53312 83612 59640 40892 44776 37384 50780 70331 87760 52282 57802 68477 1 47466 81285 70575 81173 74668 47858 59989 667.3047@1.0560665 2710 1 9460 5805 1 1 1 1 1 1 1 11472 6971 1 1 1 1 1 1 1 1 5029 1 8032 5409 1 4242 1 1 1 1 1 1 1 1 1 1 250.0396@1.0601326 10080 19449 15066 18450 1 1 15423 1 10550 14855 1 18442 13604 1 11106 1 1 7727 15283 1 10852 11143 1 21208 10463 9148 9848 13338 12682 1 14551 11244 1 1 14865 1 11194 396.1941@1.0579674 10926 16694 42118 14691 22219 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1 1 1 1 1 1 1 1 17867 1 1 1 3610 325846 24698 19167 1 27337 1 1 1 C26 H14 N3 1 18372 16362 22889 9253 1 16818 1 1 17338 9606 22057 15509 11700 37649 11763 1 9263 13212 1 13662 7989 22539 17036 8622 1 12166 18308 15403 1 16283 11265 1 15044 15679 1 12480 571.4388@1.0658069 15445 1 15085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C25 H56 Cl N5 O4 145808 16864 74004 130821 1 1 106483 89939 1 1 1 36946 81531 1 90208 34731 37852 46492 74302 17576 1 64307 1 1 30156 58898 1 1 36912 1 1 1 3924 1 44971 44408 95193 593.3905@1.0976511 13958 6874 12474 1 1 1 1 11972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10178 1 1 1 1 1 1 855.7233@1.0580627 1 1 2268 10633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8383 1 1 1 1 1 1 1 TG(18:2(9Z,12Z)/14:0/18:2(9Z,12Z))[iso3] 12362 1 29764 35632 1 10394 1 1 26055 1 8227 1 15677 32617 1 4488 1 1 3333 43782 1 15852 6574 1 5867 1 1 1 6510 1 48984 1 6015 16100 1 1 1 C32 H55 N O S 124764 40370 155624 29856 134062 33594 1 62584 20425 1 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1 26323 53344 1 38619 1 17778 1 1 20835 1 1 1 1 1 1 1 1 1 10966 38865 10584 29336 1 1 7089 1 1 1 1 1 9473 C19 H48 Cl N8 O3 78085 17451 24866 15787 39144 1 46650 28432 1 1 17840 1 10159 15344 18220 1 15996 23425 32834 1 10861 1 1 20757 1 26149 20574 9987 11565 1 1 13639 1 11675 11452 22337 23048 635.4527@1.0791364 54144 1 11623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16751 1 872.2581@1.0668323 1 1 16620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27374 1 1 1 1 236.1411@1.0957341 1 1 61771 1 1 1 1 1 1 59067 1 39119 1 1 1 1 1 1 19066 1 41444 1 1 49244 16826 1 1 40053 1 1 22610 1 48692 1 1 1 1 543.4464@1.0752761 1 38823 69677 1 1 1 1 1 1 1 33547 1 13717 59930 1 1 27114 1 32880 1 1 1 1 1 1 1 1 75980 1 1 31130 1 1 1 1 1 1 1113.2908@1.0719622 1 1 4235 1 18105 10572 1 9643 10337 1 1 1 1 1 1 1 1 1 1 1 1 1 13037 1 1 1 1 1 1 1 1 1 15760 1 1 1 1 945.777@1.0643494 1 33030 59128 46213 1 1 1 1 32454 15164 7266 39038 23953 1 1 1 1 1 1 22845 1 1 10691 38292 5768 1 1 10581 11844 465248 1 1 15585 27148 1 1 1 713.5093@1.0712562 1 1 11264 11772 1 1 1 1 6185 1 1 1 1 1 1 1 8142 1 1 1 1 1 1 1 1 1 1 1 1 10776 1 1 3490 1 1 1 11623 971.7858@1.0653279 1 1 4725 9843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 875.2583@1.0216286 1 8282 5016 6944 1 3414 4822 12427 1 6144 14134 1 5611 1 4828 1 5396 9273 1 1 1 1 1 1 1 5820 1 1 1 3022 1 8466 29058 8185 9921 10643 7032 Norepinephrine sulfate + 1.0737517 1 227334 6907 1 4538 17973 1 1 9108 6603 11253 1 1 4330 1 1 8978 1 1 12862 1 1 1 1 1 1 1 7831 1 1 5970 4279 1 1 1 1 1 385.2814@1.0749104 6790 16459 21621 1 25166 17007 1 1 1 1 1 13264 1 9091 27312 10017 1 16738 5919 1 8024 1 1 1 1 41222 1 9581 1 1 1 14839 1 1 1 1 11642 190.1722@1.070908 41210 75869 79674 52089 1 75643 61542 1 1 43513 55366 64376 47740 40345 44362 1 1 1 1 1 1 1 1 51191 1 1 1 1 51980 19758 38436 1 1 1 46322 1 1 555.4421@1.1298014 1 1 101888 53542 1 1 1 13871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28323 1 1 1 10853 1 1 1 1 1 1 1 1515.4095@1.0713822 7533 20854 19244 60529 31423 50117 47016 100641 29475 9109 34526 23800 1 1 1 1 1 13359 1 1 19301 1 19472 10125 1 12221 9362 1 1 1 50353 5961 46454 11245 1 1 1 C26 H51 N13 S 1 12706 32321 1 53868 6492 1 1 1 1 18723 1 1 1 1 17638 36504 1 1 1 1 6469 1 1 1 1 1 7341 1 1 4121 6551 1 1 7259 1 1 C27 H41 N2 S 1 1 44872 1 16257 12169 1 1 1 9349 1 1 14533 15029 22351 1 1 1 17882 1 1 10284 1 1 1 10703 1 1 27521 1 23340 10059 1 1 1 1 1 709.483@1.0714159 1 1 18916 1 1 1 1 1 1 1 1 1 1 1 5619 1 1 1 1 1 1 1 1 1 1 6034 1 1 1 1 1 1 1 1 1 1 14012 C27 H52 Cl N3 O2 705797 19159 144878 115017 176584 90641 514967 381941 14835 1 98706 78189 128418 45969 226970 74459 55638 223141 163432 29179 20417 248766 46935 1 1 145823 179789 23615 1 1 21361 15963 15090 87871 26390 294265 325668 462.3704@1.0692612 1 9221 16908 1 21106 1 22104 17089 1 8031 1 1 11293 1 1 10250 9069 1 1 1 1 9682 1 1 1 1 1 1 1 15438 1 1 1 1 1 16337 1 DG(15:0/16:1(9Z)/0:0) 1 18265 17743 1 1 19019 1 1 1 1 48996 40679 12467 13074 1 20475 15241 1 22369 1 19373 7184 15683 10725 8108 1 1 20953 1 1 23055 8063 1 15373 1 1 1 539.3454@1.0546668 1 1 35895 1 1 1 1 1 1 1 1 17155 1 10775 1 1 1 9780 1 1 1 1 1 11266 1 1 1 1 13796 9240 1 1 1 1 1 1 1 456.3616@1.0708945 1 1 6285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C22 H40 O3 10784 26776 40613 46103 21688 34699 88761 24015 25489 30981 18304 25518 22273 13904 23613 29892 1 22584 1 21839 26354 32698 29524 45137 23821 50368 25672 32206 20658 2224 31179 26333 12048 1 30697 30608 32803 625.4789@1.0741868 1 1 40493 45075 1 1 1 1 1 1 29253 1 1 1 39274 1 24121 1 1 1 1 22310 1 1 1 1 1 1 1 14695 1 19536 1 1 1 1 1 729.6011@1.0772991 1 1 12529 1 9629 7704 1 1 1 1 1 1 8521 1 1 1 2852 1 1 1 1 1 1 1 8465 1 1 1 1 1 3511 1 1 1 10186 1 12655 C22 H51 N4 O5 S 235004 13730 132889 43624 99180 14991 207798 107211 15692 101842 49538 27888 85206 1 120011 55581 1 112750 70159 30926 1 168923 1 1 55688 1 95140 9494 157481 1 17233 1 1 33808 1 138893 203748 326.0708@1.0717598 3359 1 7419 7425 1 1 1 1 1 7466 1 1 1 1 25168 1 3892 1 1 1 1 1 1 4267 5813 7571 5468 1 1 1 1 1 1 1 1 1 5619 506.4349@1.0742558 1 1 19089 1 1 1 1 1 1 1 1 1 1 3855 1 1 1 1 1 1 5036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C22 H47 N4 S2 13864 31255 34313 18161 39887 34284 1 1 1 30418 33470 33625 25288 26874 1 22429 1 1 1 27446 18629 21897 24041 33866 24268 1 16519 33251 30909 1 1 20509 1 34644 60722 1 26524 C18 H31 N8 30931 37349 36196 37431 35732 49143 36998 1 36078 38413 40326 46902 43670 27950 48134 35292 27945 41304 1 34192 29336 28547 1 51632 45451 61193 43624 48668 43339 1 41608 65112 39645 47829 46884 37185 43933 458.3756@1.0760603 13274 1 31418 11879 1 1 1 1 1 16809 1 1 9786 1 1 10160 7990 11434 1 1 1 12949 7035 9525 1 1 1 1 2610 1 8749 9204 1 1 11163 9851 10278 126.1043@1.0745335 58594 1 80570 1 1 1 12585 1 1 1 1 1 9835 1 12858 1 1 1 1 1 1 10052 1 1 1 1 55568 1 1 1 1 1 1 1 1 51970 16970 765.6833@1.0705124 1544 1 19129 31170 10337 1 1 1 64905 12374 14078 1 16696 4025 1 1 1 1 12849 14035 10455 1 4609 1 20988 29500 5001 1 1 1 1 1 1 8798 1 1 2217 627.4999@1.0716351 42190 1 72933 1 1 1 1 1 1 36230 47319 1 1 1 8715 8278 1 1 22174 17155 1 35025 1 1 1 25158 21386 19354 1 1 1 7701 1 17789 8580 32190 1 Homaline 108208 1 16397 11971 1 1 89019 70217 1 1 1 1 11120 1 61736 1 1 42016 1 1 1 1 5852 1 1 75772 22174 1 14564 1 1 1 1 4702 1 59038 68348 208.1459@1.0742645 93654 1 23821 1 1 1 25897 1 13147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32229 1 1 1 1 1 1 1 1 1 1 511.3502@1.0874535 1 33053 26424 10828 1 1 13558 1 1 1 11440 1 1 1 1 1 1 19540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8365 1 1 499.3841@1.0676539 1 1 133709 1 1 1 1 18683 1 1 1 1 23063 5133 13776 1 1 16740 12965 1 1 1 1 1 19693 1 9794 1 1 1 1 1 1 1 1 1 1 487.3856@1.0711657 217025 1 89728 1 1 1 1 1 1 68338 1 1 1 1 1 66038 63361 1 1 1 83832 1 39809 49463 80247 122649 1 61427 1 13117 1 53505 1 1 1 1 1 C30 H57 N O7 78288 1 64193 98942 100834 1 1 1 19714 1 1 25683 53140 29517 1 1 1 34346 49310 1 57647 1 38924 31197 69534 79871 103250 42362 30436 1 1 56933 1 1 1 1 5852 C32 H57 Cl N2 O 51270 1 36894 1 103373 1 46930 25478 1 65360 1 36116 1 22312 26264 1 67700 29410 1 1 1 1 23380 1 29643 29537 34565 1 1 1 1 18570 1 1 1 30521 27965 595.4076@1.07339 28843 1 52460 1 1 1 36608 1 1 1 10375 1 11096 1 18327 1 4632 42980 1 1 1 21975 1 1 1 16159 11480 1 1 1 1 1 1 1 1 14528 20030 306.2553@1.0768058 55347 9477 14980 1 1 13337 19989 17575 1 9873 9923 1 34925 1 13122 1 7068 1 1 1 1 10884 1 1 24429 17406 33313 7041 11421 1 1 1 1 6608 1 1 1 769.4948@1.128161 1 14399 28041 9693 8610 11612 1 1 13315 10051 1 1 1 1 7354 8596 12965 4133 1 1 10749 1 13047 14551 1 1 1 1 7874 1 13969 9318 3927 10304 7734 1 32756 516.3811@1.0857365 1 1 11630 1 28952 1 1 1 1 1 1 1 18754 1 12856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14067 1 926.7273@1.0728252 1 1 3858 7768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1827@1.07706 7609 1 14095 16018 1 12001 22014 1 1 1 13921 1 1 1 1 1 42966 10476 45112 1 1 1 1 7189 1 9967 1 58840 7997 1 1 9559 5836 1 1 53093 1 527.3809@1.0739226 44617 1 50593 1 1 20803 105148 1 21276 1 65247 26284 1 33967 1 1 1 28136 1 28013 22082 53157 1 1 1 55859 1 1 1 1 1 1 17373 27516 1 55705 1 C26 H28 N4 O6 S 58657 178244 70995 68176 72406 58145 62779 43191 75416 73310 59612 94888 77058 77781 67002 68264 63432 53851 10679 47376 74989 47897 49852 70447 58933 54917 61721 53558 55687 1 72521 46781 1 1 1 7217 1 777.5023@1.0220463 1 1 15485 1 8055 1 3243 1 1 1 1 1 3463 1 1 1 1 1 1 1 1 9014 2831 1 1 1 1 1828 4838 1 1 1 1 5530 1 4972 1 3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid 10288 27609 10588 19888 13883 1 1 1 15757 13909 1 1 20149 19586 56535 1 15544 5689 23746 18646 1 1 1 15369 22196 23877 21263 1 13792 1 21433 1 15339 10009 14590 17865 14003 661.4825@1.0778202 3607 1 7553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11837 1 5767 1 1 1 1 1 1 1 1 1 17308 1519.4092@1.0694878 1 6548 6013 1 1 1 1 1 1 1 1 1 1594 1 1 1 1 1 1 1 1 1 5831 1 1 1 1 1 1 1 1 11310 1 1 1 1 1 TG(16:0/17:2(9Z,12Z)/18:2(9Z,12Z))[iso6] 1 9462 4315 1 12158 2728 1 1 12523 3198 2759 6467 1 1 1 1 1 1 1 2607 1 1 1 1 1 1 1 1 1 5396 1 1 1 1 1 1 1 646.4476@1.0983417 1 1 4620 1 1 1 1 1 1 1 1 1 1 1 1 5447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5885 1 1 2147 1 1 1134.3033@1.0677418 6807 1 11102 6528 40197 43177 4727 1 1 1 1 1 1 4098 1 3720 1 1 1 1 4817 1 1 1 1 7840 2988 1 1 1 4310 1 63360 1 1 1 1 1130.3066@1.0711542 1 172254 302369 1 1042294 1046708 1 952583 916976 1 458158 151713 132885 137473 111557 112949 1 1 69470 65080 153498 100584 1 117360 1 1 115026 68124 1 39406 166771 139270 1 172299 136107 1 1 599.4617@1.0790639 1 1 36851 1 64848 65388 1 28852 1 1 32836 62840 37062 1 36384 60036 29337 1 65166 19873 1 24335 1 1 26465 19099 36244 38999 13762 1 43278 42314 1 35789 52272 29600 1 735.4917@1.075453 1 1 11689 1 22981 1 17370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 701.5431@1.0751616 39683 1 30027 1 1 1 15894 26235 1 1 1 1 1 1 1 1 1 1 19062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 558.3946@1.1021146 1 1 24494 1 1 1 1 1 1 1 1 8615 9240 1 1 8534 1 1 1 1 1 1 11806 1 1 1 1 1 1 1 1 1 1 10470 1 1 1 497.3713@1.095833 7790 1 29505 1 85484 1 1 137400 1 11210 1 40727 87678 12880 135719 17358 10837 115473 1 1 29009 68180 26714 31807 7103 33437 154271 10145 26614 1 30937 20631 9478 1 16129 1 32226 492.3436@1.0735909 111422 1 44723 1 1 1 1 51224 1 1 1 1 1 1 1 1 1 1 40791 1 1 41201 1 1 1 1 56450 1 1 1 1 1 1 1 1 54620 1 Didrovaltratum 1 8335 9122 4869 6814 6524 1 1 8857 6649 1 1 1 1 3820 1 6474 1 1 5566 1 52269 1 6812 1 1 1 6725 1 1 1 5805 1 3675 1 1 1 Bisindolylmaleimide I 46200 20197 21784 1 1 9173 1 26193 19717 25813 10868 1 28480 1 39595 21240 19281 1 23241 11548 11244 23695 18859 1 20403 1 24091 13590 1 1 25367 16575 1 1 12520 24007 1 272.2142@1.080932 8313 1 9202 1 1 1 1 8329 1 1 1 1 1 1 1 1 6837 3437 7282 5513 1 11514 1 6654 1 1 1 1 1 1 1 1 1 1 6922 1 1 645.4779@1.0756751 1 1 7851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12502 1 1 1 1 17443 1 1 10424 1 1 1 1 1 581.4252@1.0756241 65907 1 42189 1 1 1 84272 25939 1 1 33286 1 32196 1 1 13097 1 1 21778 1 1 23083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24587 690.4765@1.0909339 81061 1 12339 1 28783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.4028@1.0757929 1 1 5029 1 1 1 1 1 1 1 1 1 1 9596 1 1 1 1 1 5036 1 1 1 5928 1 1 1 1 1 1 1 1 1 1 1 1 1 481.3418@1.0745233 1 1 25054 1 1 1 1 1 1 1 1 1 1 1 1 1 8007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C24 H39 N S 79667 71428 80218 78721 69829 92979 84166 52535 64946 69005 70975 90423 63220 59167 62461 60286 46371 74492 48343 59022 45762 55624 43376 60412 58051 77429 64926 72409 66952 1 54588 69522 67486 64646 71070 59918 54363 539.3828@1.0744824 106972 1 78646 1 1 1 1 1 1 1 1 1 1 1 148003 1 1 1 1 1 1 1 1 1 1 1 38275 1 1 1 1 1 1 1 1 1 1 453.3301@1.1182487 1 1 90785 273423 1 1 1 1 1 7507 1 1 1 17108 1 6065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37676 1 1 1 1 1 1 638.5531@1.0750242 1 1 4398 1 1 1 1 1 1 2150 1 1 1 1 1 4046 2262 1 1 1 1 1 1 1 2874 1 1 1 1 1 1 1 1 1 1868 1 1 Pro Trp Cys 20604 19399 9727 13963 8985 12448 10826 9631 1 11857 1 15275 8261 14193 15384 1 1 1 11767 1 18506 10081 1 16669 1 11215 1 8352 1 1 10174 7688 1 1 6462 1 1 448.2782@1.0783165 1 1 7817 1 1 1 1 1 1 1 1 1 7721 1 1 1 1 6766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11942 883.7614@1.075517 1 1 8108 1 8812 1 1 1 8755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 811.5063@1.075 1 1 6027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 544.3802@1.0776488 18978 1 6890 1 1 1 1 1 22529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 659.5256@1.1085991 1 1 6798 1 1 1 1 1 1 1 12580 1 1 1 1 1 1 11134 1 1 1 1 1 1 1 1 37876 1 1 1 1 1 1 1 1 1 1 843.4997@1.076 1 1 5621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.3288@1.1165677 54637 1 47787 33372 76603 98450 86655 94763 9849 13218 100125 9728 22095 1 45239 1 27268 71837 47088 14130 1 49680 23011 9276 112214 40326 65960 100237 1 70268 1 92824 91872 22487 95724 63740 106663 152.1198@1.0796659 1 1 113065 1 87230 1 73153 77431 19871 1 47981 1 64108 22922 1 1 18822 1 1 1 1 45190 1 1 1 87740 57191 27037 41649 1 45992 1 1 1 1 1 1 601.4862@1.1108191 25309 1 39764 11683 1 1 1 69788 1 17799 12506 3305 6086 10313 34003 1 1 1 4251 22331 1 2639 9127 1 1 1 1 25439 1 1 1 1 1 20366 1 1 1 817.715@1.0683311 1 6623 49401 21672 10719 2399 1 1 1 1 1 6823 20807 1 1 1 1 2086 3966 1 22782 1 1 8959 5903 10514 1 2643 1 1 2921 20081 1 2088 1 1 1 C29 H47 N8 O3 140545 1 112485 72712 1 1 81588 188275 1 1 17142 1 1 32232 137385 61799 1 50692 90545 1 1 41776 1 1 1 32527 8403 1 58384 1 1 1 1 55299 1 196550 57913 779.6995@1.075846 1 8428 20672 1 18972 1 1 1 54262 6429 6944 1 14506 1 1 1 1 1 14791 14159 9356 1 10277 1 23464 23650 12668 1 1 1 8030 9464 10372 1 1 12370 2559 166.1366@1.0787908 1 1 15636 1 1 1 25743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10310 1 1 1 1 1 1 1 1 1 1 C26 H47 N2 O3 1 10100 10392 72669 1 1 40383 1 43844 9885 8139 1 10430 28557 1 9183 1 1 14109 1 10327 8233 16495 1 15909 12561 1 1 8384 1 9312 1 1 1 11243 1 1 761.4917@1.0784193 20973 1 15096 7701 1 1 1 1 1 1 1 3030 1 10149 1 1 1 14272 6865 1 1 9635 4657 1 5630 1 1 1 1 1 1 1 1 7308 1 1 1 335.1597@1.0755482 1 1 11734 1 1 1 1 1 1 1 1 1 7327 4191 1 4635 3192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6850 1 4770 6155 585.4535@1.0575724 1 1 102515 1 1 1 1 1 1 1 1 42894 12234 7407 1 1 1 1 14025 1 1 1 1 6468 1 1 1 1 5591 1 1 1 1 1 5856 1 1 631.4471@1.0923928 46869 1 18409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19706 1 1 1 1 1 1 1 1 748.5288@1.079404 1 1 10389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4964 1 389.2769@1.0787804 98393 1 21661 17734 17732 1 43352 46580 1 1 1 1 1 1 1 1 1 1 17148 1 1 13198 1 1 1 1 26396 1 1 1 1 1 1 1 1 23688 1 855.6388@1.0773718 1 1 4336 1 1 1 3555 1 1 1 1 7184 1 1 1 1 1 1 1 1 1 1 1 1 1 3740 4342 1 1 1 1 1 1 1 1 1 1 518.3636@1.0768087 83049 1 7199 1 1 1 29027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 712.4943@1.0765457 1 1 24320 1 1 1 1 1 1 1 1 1 1 1 1 8281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 513.3286@1.0728052 1 1 17849 1 1 1 18233 1 1 8405 1 1 1 1 1 1 1 1 1 1 1 11153 1 1 1 1 1 1 1 1 6045 7876 1 6349 1 14297 18016 467.3223@1.104162 1 1 10682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3346 1 1 1 1 1 1 1 1 1 1 1 1 (±)11-HEDE 41836 6054 18625 26754 26578 1 19957 9303 6674 1 6569 6475 12577 4688 20275 5885 10897 18491 27683 1 5451 18900 1 7341 1 26903 26216 6108 10426 1 1 5067 1 1 8019 16771 23328 387.3358@1.0740346 1 1 100290 1 49043 24388 34047 1 1 1 1 19289 27054 1 1 1 1 1 19792 1 1 1 54649 1 1 1 57893 1 1 1 1 15271 1 43369 1 52366 1 C36 H65 Cl N2 O 53343 1 57594 10080 79846 80679 73153 1 56187 78252 32071 41998 66265 21716 28300 50362 41174 35091 51130 53308 111363 38264 49173 70941 1 35097 29396 71532 127272 1 50042 42202 1 43146 74846 58510 21201 266.2256@1.1315008 1 1 6056 1 9187 1 1 1 1 1 1 1 5178 1 1 1 1 1 1 1 1 1 1 1 1 1 8553 14112 1 1 1 1 1 1 13037 1 1 C14 H31 N7 O2 1 1 42413 181744 852327 30032 41583 60340 1 1 1 1 12616 1 445001 165866 297334 22637 335352 1 52303 21403 1 1 25998 414735 1 1 1 1 1 1 27340 1 1 1 62220 Androsterone 1 24795 25906 29994 24528 1 17520 15406 12749 28040 29254 25112 15437 10719 1 1 1 1 16866 1 29467 1 15485 1 12918 97737 18719 1 1 1 27249 1 18054 28761 26503 27886 17398 461.4228@1.0824602 1 1 30398 1 6167 1 1 1 6152 7587 1 7264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4275 1 1 4518 1 1 1 1 1 1 603.3975@1.0941832 1 1 27792 1 1 1 1 1 39164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7822 16854 1168.3325@1.0746654 1 1 9479 1 1 1 1 1 18366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.1669@1.078 1 1 2950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C28 H56 N9 O2 21305 17506 43565 29298 48896 33955 26540 10557 36286 44419 18809 18151 28738 16761 21655 14790 17718 23049 1 24851 1 24995 11856 41711 28474 22914 35786 1 42966 1 20190 19068 26189 29864 17768 6915 22473 749.465@1.078 1 1 5718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.2328@1.0689459 48817 1 83405 1 27487 1 25920 1 71968 1 1 1 35893 13998 1 11808 18230 25370 1 1 1 1 1 64141 1 23459 1 1 1 1 1 1 1 1 1 1 16163 898.7805@1.081176 1 50037 50913 79544 36116 1 1 1 104657 1 1 39611 15396 45005 1 1 8125 1 12709 44697 35706 1 1 46794 15742 1 1 24221 14795 80427 21572 1 29641 16810 1 1 1 669.3199@1.0753328 11947 18141 12763 15490 1 10492 33714 27727 1 1 1 19695 13955 19043 29899 18878 15434 15310 17941 12169 19748 15399 1 16441 25024 17386 19909 12239 12080 1 16354 12680 1 1 1 5654 1 368.2921@1.073756 1 1 7396 1 1 1 8945 1 1 19988 1 19411 1 1 1 13442 1 1 1 1 5841 1 1 1 1 1 1 1 1 1 1 1 5409 1 2608 1 1 C30 H50 Cl N2 1 24711 97426 41727 94799 1 1 52098 1 1 1 40050 1 74484 65198 42718 1 1 76689 1 1 46699 1 37402 1 46894 1 37535 1 16347 64806 5119 1 1 39279 1 1 C35 H56 N4 O 1 1 9070 1 28411 1 1 1 13414 1 1 16391 1 12475 1 1 1 1 28381 14984 1 1 8126 16390 1 1 1 1 1 1 1 10137 2942 14604 1 1 14724 442.373@1.0751795 1 7265 12596 1 1 1 1 1 12022 1 7521 1 17823 1 1 1 1 1 1 1 1 1 1 1 3993 11705 1 1 1 1 1 1 1 1 1 1 1 4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol 48128 60187 87438 15942 73633 27832 91805 73287 88405 47211 26227 30071 74999 21929 28110 49749 54169 28556 33084 26643 66923 51741 22477 24275 38955 1 34397 27323 54954 1 47850 53765 1 21131 78072 95045 25994 ?-Linolenic Acid 1442688 112615 306022 185712 571253 83654 567467 404280 76452 129089 1 99476 283974 150752 487372 206558 167400 316317 341820 146743 144915 384107 174453 87503 65001 382543 408899 110896 175778 1 143851 84379 60094 119451 168530 377797 404293 795.5135@1.078 1 1 5476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.1517@1.114877 1 1 4013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4242 1 1 1 1 1 1 440.205@1.1363019 1 1 4434 1 121555 1 4709 1 1 1 11815 1 1 1 1 1 1 1 1 1 1 6438 1 1 1 53376 27438 1 1 1 1 1 1 1 1 4157 1 845.7469@1.0814769 1 66264 120483 157131 1 33042 9287 1 111934 42925 41376 53168 1 1 1 15840 11400 10650 20296 1 1 1 19112 58069 20541 39707 4689 26589 16965 1 1 27679 27114 1 11139 16076 10922 234.1621@1.1868278 1 1 12729 1 1 1 1 1 1 1 1 66260 51213 9918 41250 1 1 1 1 1 24320 17957 1 1 1 23939 32565 1 21772 1 6200 1 1 1 1 1 1 876.7159@1.0761182 1 2655 6839 1 1 2639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3968 1 1 1 1 1 1 2875 1 1 1 1 1 1 Spergualin 37918 103932 64052 52864 66605 1 74844 46774 82377 1 58902 1 98218 61087 1 52383 48686 1 43686 49873 90561 47472 55204 1 82691 1 49740 140528 74210 1 1 99364 1 89725 123878 62170 1 C22 H40 O 4894 1 18055 5641 1 5785 13688 1 1 3336 1 15074 2820 1 1 1 1 3981 1 1 1 1 7227 1 1 1 1 3296 1 1 8560 1 6970 1 1 1 1 488.3548@1.1089407 33382 1 20245 1 1 1 10643 1 1 1 1 1 1 1 1 1 1 1 12164 1 59715 6077 1 33357 1 1 1 1 1 1 1 1 1 1 11100 1 1 675.4984@1.0854096 1 1 24967 1 1 1 1 1 1 1 1 6773 1 1 1 9530 1 34286 1 3828 1 14834 1 1 1 28229 36108 1 1 1 1 1 1 1 1 1 1 922.7797@1.0765321 1 49188 64667 80284 35321 1 4244 1 41710 16968 18576 1 1 1 1 1 1 3586 1 1 1 4530 15834 1 1 1 1 25202 1 1 1 1 21717 1 1 1 1 Xanthoaphin 1 1 29952 1 1 48203 20636 1 57254 40270 27149 1 12570 16012 1 21747 20530 6822 8711 21090 15626 8928 16389 13634 56160 2835 1 39550 1 1 27056 27836 9502 30064 11512 7902 13161 785.4944@1.0823408 1 1 10118 1 1 1 11490 6087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14555 1 C27 H43 N2 O3 90762 31113 58710 1 65431 38659 66391 52262 43747 1 44058 51152 49005 1 39884 40796 1 58138 45053 1 1 56547 1 1 1 55096 41358 42040 48157 7941 45696 28724 33893 35911 36532 61566 74047 258.1975@1.0788773 31177 19215 27484 1 1 10984 12580 16139 11542 1 1 1 9932 6461 1 1 1 15484 1 1 1 1 1 1 1 10473 10194 9696 1 1 9065 9864 6703 13320 9075 1 1 C18 H43 N10 O2 1 34621 23815 1 38315 25567 1 1 29424 1 11849 18833 26180 1 2697 1 1 1 1 24226 1 1 1 1 17056 1 1 13449 16024 1 26358 1 1 1 1 1 15732 4-oxo-2-Nonenal 638661 1 25594 116056 19915 1 227469 65173 1 1 126760 55690 1 1 60391 13604 121781 150228 25436 1 1 24816 75417 1 18333 1 44058 1 106976 1 1 57245 1 58222 69549 196483 54258 437.3556@1.0800562 1 1 23195 1 1 5455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0) 58884 1 47954 1 64399 55016 60108 78321 50816 40283 1 1 53341 1 1 38875 36361 1 1 40977 1 26801 1 50358 1 1 41994 48848 71089 1 58935 32541 1 1 88504 61799 16197 17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one 1 1 65581 9472 1 20646 6017 1 21421 33578 1 60080 59007 12132 1 11454 1 1 1 30258 64798 1 13994 68653 9126 1 1 25511 69645 1 1 34081 24240 48039 1 1 7127 C32 H55 N O2 S 269755 33509 71131 60099 123644 31297 114526 1 38477 75764 1 1 72792 64927 52999 58956 59203 1 86949 48783 1 90118 29848 20914 158418 1 80669 38065 20928 1 22115 1 29468 45815 48756 92129 88158 C25 H24 N3 O2 23409 26668 23238 21910 1 18877 18038 1 24012 23148 17106 1 22249 20048 1 20761 18349 17340 16557 1 25578 1 1 20187 1 20307 19427 22083 13414 1 25694 16121 1 1 1 1 2925 180.1146@1.1196269 20883 1 88971 1 1 1 17626 1 1 1 158276 21247 45667 1 28569 1 1 1 1 1 1 1 1 1 1 1 1 36268 1 1 1 1 1 1 1 1 1 372.2657@1.08 1 1 12215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 871.7622@1.079132 15774 436676 511260 465689 260325 84840 1 1 600968 1 132838 236107 55102 131438 1 64670 34898 39787 29908 163589 155860 1 70549 1 59077 19839 7961 75467 1 1043041 210034 126685 124844 74158 23730 16173 1 522.4186@1.0803949 1 1 10998 1 1 28662 1 1 1 14303 1 1 1 1 1 1 1 7142 13929 1 1 1 1 1 15876 1 1 1 1 1 1 7423 8459 1 1 1 1 284.1787@1.0806098 1 1 105401 1 9876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 715.5259@1.0864782 16641 1 17891 45210 18051 1 5840 1 21225 1 1 1 1 1 28101 17603 1 1 1 1 7105 12666 16261 8214 40154 21915 1 11365 1 1 12019 1 1 1 1 17571 17894 565.3608@1.0761251 1 1 11056 1 1 1 4171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10054 1 1 1 1 1 1 1 1 1 1 224.1773@1.1067406 19391 1 39435 1 43979 1 1 1 1 1 1 5999 28481 21185 1 1 25857 1 14101 6523 60592 1 14526 1 14723 1 1 1 1 1 1 1 1 1 1 1 1 260.2137@1.0908653 21891 1 5027 1 1 1 6752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4994 1 1 1 1 1 1 1 1 1 1 1 13231 Thr Trp Asn 1 1 17880 1 16666 1 1 1 1 15299 5497 1 12102 6624 1 7101 3975 1 1 1 1 1 8838 1 1 4553 1 1 10262 1 7124 1 1 14492 1 1 7960 C38 H80 Cl N2 S 12603 1 22634 24573 60298 9584 21034 5170 1 9609 22964 6985 14226 13176 26662 11273 15271 16619 14465 8511 2368 1 1 4644 11991 1 26542 1 1 1 10294 1 1 4942 1 9211 11437 805.7151@1.0787134 1 14061 27229 42564 19842 1 1 1 60327 1 1 8587 22966 12433 1 1 1 5632 1 3618 1 1 5030 11281 25927 39435 1 1 1 1 1 8864 1 11353 1 3158 1 C27 H52 Cl N2 O S 51783 31655 37575 23512 36675 1 49883 1 47039 1 49754 70131 102514 47585 51914 51644 63120 48842 31078 40990 59380 61627 32242 1 66492 1 79050 79907 46645 1 46905 1 58557 1 51196 88457 1 C37 H75 N2 S3 1 23098 34985 1 37965 41700 40752 37929 23748 1 1 1 37014 22875 35156 26147 1 1 1 1 36678 25556 30668 1 1 41697 1 25182 13415 1 22470 26224 19762 1 17982 1 1 593.1528@1.0811629 1 1 4004 25246 1 1 1 1 59273 1 1 1 1 1 1 1 1 1 1 1 1 1 5421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C30 H35 N4 O4 S4 6580 7881 4442 6700 6665 7279 8897 1 7014 8274 4445 3069 3952 7622 17272 7623 5223 7959 5398 1 4212 2229 6847 4049 6775 6292 8999 8169 4356 1 13616 4987 5670 12413 8646 8006 13874 190.0997@1.1583173 1 1 14033 1 1 1 7000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24134 1 1 1 1 1 1 1 1 1 1 1 515.3459@1.0834107 1 1 43446 45811 1 1 1 53869 1 1 22008 1 25790 1 40096 1 1 1 34956 1 1 45920 1 1 23240 25531 1 1 1 1 1 1 1 23441 1 53062 1 2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol 362265 10187 127402 43519 161726 23862 83608 93927 1 14121 43990 13474 111110 32333 76633 1 39685 31209 36809 21719 22414 104745 27923 28208 32413 100357 85934 17197 1 1 26721 25289 8939 35226 41788 57274 29416 Ricinoleic acid 176344 38355 171998 63307 131283 58430 89895 73314 1 1 61100 1 38809 70259 61232 47994 45545 51600 50398 58666 63963 73761 1 1 31254 43845 80273 40415 32473 1 49116 24905 1 49010 113296 104845 27742 C24 H48 Cl N9 O 287031 31713 78221 1 61386 32971 198076 60051 1 35584 1 1 43622 35143 69009 53410 49880 29831 40791 34115 1 56118 39669 27236 41746 67280 172489 69356 29793 1 33885 27595 40264 43570 42219 14199 1 330.1398@1.119388 1 5184 5579 1 1 1 1 1 6027 1 1 1 1 1 1 1 17921 1 1 1 1 1 1 1 3202 1 1 1 1 1 1 1 1 1 1 1 19805 499.3509@1.0849916 147546 1 67279 1 1 41419 79767 1 33293 1 1 34512 1 1 1 44693 27043 1 1 1 1 1 1 1 71954 1 1 25892 1 1 1 39757 38646 30649 22551 57536 1 162.1043@1.0818952 1 1 82144 1 1 1 1 1 1 1 1 1 62463 1 1 1 1 1 1 1 1 44914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.4078@1.0848854 1 1 16069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 837.4965@1.0873206 1 1 2152 5548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.2022@1.083 1 1 11673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.4549@1.0833167 1 1 41470 1 1 1 1 11362 1 1 18534 1 1 1 14608 11557 9208 9356 1 1 1 11264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11029 C29 H60 N5 O5 1 19873 44870 1 1 1 1 1 51971 1 1 1 21335 14275 1 16166 1 16730 15787 18519 69569 10496 20081 1 1 1 1 1 1 1 1 1 1 10890 18087 1 1 Cholestenone 88351 22707 82412 183498 147154 125855 131304 83675 128284 31409 74231 19487 48905 56031 83952 50812 94727 96864 91240 31853 21472 46904 69466 9479 152182 86028 120581 19293 1 1 27703 16777 6691 43848 1 82178 124699 C23 H39 N5 O2 90463 83847 114677 89947 104940 117158 117151 97383 92414 78944 97527 121296 114569 77064 102160 93498 85349 1 85216 82074 125489 103088 96472 83549 125573 118587 104023 130603 100369 1 72932 96536 101939 118142 106696 113531 104033 C39 H77 N S4 1 13000 32267 1 49404 18987 15509 1 61837 35613 23709 21781 1 46722 1 23058 48177 15876 24070 1 1 28801 30432 16979 65142 35422 22750 29634 16555 1 40616 13124 1 20646 16620 39321 1 422.2676@1.0868397 1 1 42587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.224@1.0894561 1 1 59278 1 1 1 1 1 1 1 1 48798 1 1 1 1 1 1 1 10834 86400 1 1 1 1 1 1 1 1 1 1 23737 18402 1 1 1 1 C36 H66 O6 74231 1 105479 42433 94067 1 1 10735 82965 1 109342 28908 1 57893 62205 1 80247 1 106657 59655 99087 56101 5332 72116 42788 18835 1 1 1 1 68891 54140 59946 63920 1 1 1 446.3002@1.0842975 1 1 13498 1 13486 1 1 12566 1 1 1 11351 16570 1 1 9835 9142 11781 1 6720 1 1 1 1 11283 1 11066 5022 1 1 10092 1 1 1 7249 15637 1 C27 H44 + 1.0822563 170443 141538 241052 659622 326242 161044 213546 113283 132798 118002 113967 121006 166758 148941 143406 151054 136992 164351 138020 108544 133057 104491 123382 124314 189020 148288 133655 108750 102396 587283 120361 130900 86873 151322 116738 144805 126078 690.6149@1.0812774 1 1 31265 1 1 1 1 1 32560 1 1 1 1 17878 1 1 21535 1 1 23574 24170 1 1 1 1 1 1 25848 1 1 24474 24716 1 20484 1 1 1 409.3221@1.0883002 1 1 85143 27495 17611 1 14384 1 1 1 1 1 11797 46913 1 1 1 1 48244 1 1 1 1 1 1 1 1 1 61739 1 1 1 1 1 1 74276 1 82.042@1.085 1 1 28714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 489.3671@1.0868443 77816 1 20923 76177 1 1 1 1 56027 1 1 1 1 42006 1 1 1 1 1 1 1 1 1 1 89738 1 1 1 1 1 1 1 1 38936 1 1 1 Vernolic acid 670971 113160 352643 117293 391460 1 401884 312267 137734 425419 415307 185898 525174 240137 263395 261251 252848 225117 240424 316476 403226 190879 245152 263758 384357 210051 540159 338171 586074 1 244602 178808 114869 172080 412884 382023 230448 222.981@1.0879354 1 1 59862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49947 1 1 1 436.3549@1.0818412 1 1 9662 1 1 1 1 1 1 10094 10337 12392 1 18560 1 11767 1 1 1 9620 13318 1 1 1 17013 16260 14575 1 15096 1 15817 11218 5207 1 1 1 1 590.4517@1.0945187 17368 24965 22004 1 1 30549 19923 1 1 1 31635 1 1 1 1 17391 1 19770 1 40983 27040 11742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.2175@1.0970056 15971 1 15595 15035 1 1 1 1 1 1 1 1 1 1 12948 1 1 1 17528 1 1 1 1 19922 15881 23809 1 8694 1 1 1 8700 1 1 1 1 1 182.1306@1.1034912 21556 1 58166 1 84816 1 1 1 18410 1 1 1 73389 1 58748 1 1 13081 1 1 1 63303 1 1 48845 1 77465 16738 50706 1 1 1 1 1 1 12389 1 413.2779@1.0877229 83654 1 59505 1 1 1 116585 44708 1 1 22393 1 42574 24069 31833 1 1 32150 1 1 1 39722 1 1 1 1 18042 1 1 1 1 1 1 1 30023 70307 32784 438.2984@1.0905037 1 1 23500 1 1 1 1 1 1 1 1 1 1 1 52986 1 1 1 1 36368 1 1 1 1 1 1 1 1 1 1 1 1 7611 1 1 1 1 603.4613@1.0743474 1 1 49878 1 1 1 1 1 1 12127 1 1 23366 1 1 1 14343 33627 1 1 1 1 16354 1 1 1 1 1 1 1 1 1 1 1 1 35045 28983 364.1968@1.0879557 1 1 42606 1 1 1 1 1 1 1 1 1 49189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 487.1573@1.087 1 1 16514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5-Dodecenoic acid 25954 1 23205 1 1 11550 8393 1 1 9512 1 16158 1 1 17925 10413 1 1 8542 20809 33356 1 10997 20055 5555 14532 1 1 1 1 6937 1 1 1 17848 13735 18469 666.6141@1.0868014 1 1 14205 1 1 22227 1 1 15018 9716 1 1 1 1 2675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11369 1 1 1 1 1 351.2423@1.0813283 1 1 35913 1 16903 1 1 1 1 1 1 1 1 1 1 1 1 1 4940 1 1 1 1 4538 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0883@1.1034302 32504 1 42693 1 1 1 1 1 1 1 1 1 26731 1 1 1 1 15175 1 1 1 23836 1 1 1 1 22615 1 1 1 1 1 1 1 1 1 1 395.2674@1.1694297 1 1 11352 1 1 1 1 1 1 1 1 1 1 1 1 21035 1 1 1 1 1 1 1 1 1 16607 1 1 1 1 1 1 1 1 1 1 1 463.2433@1.0897983 1 1 7237 1 1 1 1 9016 1 1 5236 1 14168 4468 1 1 1 11198 1 4195 6113 1 1 1 7407 1 1 1 1 1 1 1 1 7398 7438 1 1 859.7609@1.0864378 1 1 12706 14911 1 1 1 1 1 3602 1 1 1 2058 1 1 1 1 1 1 1 1 1 1 1 7365 1 1 1 1 1 3338 1 1 1 1 1 82.078@1.1239336 1 60914 17701 1 1 80351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85090 1 1 12333 230.2024@1.089 1 1 2395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.1042@1.1234843 216488 1 115353 1 1 27725 1 38704 1 1 1 1 1 1 39857 1 1 1 1 1 1 20065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 774.6298@1.090663 10536 3896 13133 1 1 1 14381 16919 17160 1 1 1 12771 1 13027 14477 1 16208 1 1 11885 1 1 16825 12007 14305 1 15983 1 1 1 14171 1 19085 14445 14307 13515 250.2273@1.088948 20384 1 6144 1 7357 1 3418 6259 1 1 1 1 4383 1 4929 7324 1 3198 1 1 1 3747 1 1 1 7423 5511 1 1 1 6058 1 1 1 1 1 1 480.3097@1.0963318 22498 1 74067 19202 1 1 1 1 1 1 1 1 1 1 1 1 1 59411 49508 1 1 1 1 1 27886 1 17169 1 1 1 1 1 61631 1 1 23950 1 C43 H85 S2 1 55351 20137 33624 1 29808 16934 1 1 14664 25614 24286 21110 25119 1 21623 24840 26138 11462 26194 19971 7832 19159 18246 8269 1 1 27267 7494 1 27241 1 13519 23676 18196 1 10641 300.2086@1.1117837 1 1 84142 1 1 1 25252 1 1 1 1 63287 34136 1 1 1 1 9955 1 1 54291 1 1 1 1 45585 1 1 1 1 1 1 1 1 17403 1 1 178.1357@1.1062034 68581 1 43549 1 25376 15981 1 1 1 1 1 1 23792 1 22834 1 1 1 1 1 1 1 1 1 1 1 1 1 10064 1 1 1 1 11515 1 19439 1 C24 H29 N2 S 1 9260 20610 1 1 25224 1 1 22504 20393 16837 24644 1 1 19231 22129 6417 19094 1 20631 6547 12344 1 12645 13277 20110 15260 21240 24528 1 14685 20807 22113 17430 21904 11813 16229 302.2241@1.0925554 46215 34495 96249 1 1 1 1 1 62551 49243 32635 140338 1 1 1 1 1 23464 1 1 197484 1 1 62219 1 1 45453 43775 81570 1 1 1 119814 1 1 1 1 C35 H61 N8 O5 675639 1 61629 74330 56250 1 151440 191626 48475 31962 1 1 46833 17560 211756 20610 27255 102076 84938 13707 1 46036 27978 1 1 103698 64088 13704 27974 1 25637 1 1 16167 18884 121301 110072 C23 H29 O5 73649 101479 87321 89900 66333 1 68409 42065 103727 96465 64197 95986 1 90036 85241 1 69658 70265 55885 67133 88510 71624 1 73817 1 81167 66887 65299 63276 1 95549 60928 1 1 1 1 1 276.2087@1.0942816 1 1 314131 174259 1 1 1 1 1 1 1 80927 1 1 1 1 1 1 1 83544 1 1 1 1 1 1 356656 1 158565 1 92364 1 20537 1 1 1 330331 94.0782@1.092 1 1 24069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C14 H20 O4 16654 67709 26194 49342 28068 83220 1 40140 61380 107022 97576 62316 102492 46764 66349 65927 86823 68855 63787 78680 88134 56186 70483 99120 66310 80387 88367 95064 86708 1 99186 52060 76682 46874 41780 1 54311 521.1469@1.0963829 1 1 4589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12,13S-epoxy-9Z,11-octadecadienoic acid 6357281 109735 1326161 676217 2501110 142319 1708689 1953301 88206 249514 960707 285191 1598697 678188 2504967 803507 830217 1297562 1577597 322948 297545 2120646 458419 158044 889937 2061895 1555510 129434 604155 112935 280617 202834 87574 401321 370573 1456760 1336538 C44 H83 N O3 1 29537 52104 48410 24268 31066 1 1 49654 1 1 1 27312 14992 1 59995 39461 114836 24869 34542 19573 18717 21684 1 24722 1 15315 28124 15977 1 33735 19196 19377 13367 1 1 1 C25 H54 Cl2 N3 56291 17879 27712 19146 41641 23613 57561 38527 23856 51749 23432 24087 26036 24080 27982 27980 24829 24722 29745 31765 33043 18107 20944 31105 31745 1 31981 1 1 1 22991 1 16175 1 38416 65551 1 C19 H39 N O S2 2101017 1 375700 212976 268094 23787 802444 889929 17043 50809 220562 82014 243730 127465 721968 213021 104705 673342 389592 99273 9595 433986 138929 1 177506 398527 479429 1 174122 1 64037 1 22046 91671 87393 755528 712947 C21 H47 N4 O3 1 1 40051 1 42922 33513 26528 9684 22857 1 25751 1 22144 31857 13187 1 22446 16334 15561 20594 1 11382 27045 1 15123 1 23054 1 1 1 1 1 1 21048 1 21574 1 445.2677@1.0907878 76636 1 52118 1 1 1 89773 33915 1 1 9658 1 1 9603 1 1 1 30185 1 1 1 1 1 1 1 1 10426 1 20981 1 6503 1 1 8049 1 1 30327 gamma-Nonalactone 149131 1 17595 61479 25626 1 24676 13912 1 1 1 1 15456 10469 41850 11385 8682 8266 36731 1 1 27384 1 1 11874 1 1 4694 1 1 1 1 1 1 1 44307 11248 4,7,10,13-Hexadecatetraenoic acid 13636 1 32323 1 59589 30020 1 22560 1 1 1 27707 1 27991 39899 1 1 1 32464 22574 1 26894 27558 30714 1 1 1 19380 35930 1 1 1 18846 25728 1 1 28436 825.483@1.1123317 1 1 9762 1 2039 1 1 1 1 1 1 1 1 1 2316 1 1 1 1 1 1 1 1 1 2535 1 1 1 1 1 1 1 1 1 1 1 1 833.746@1.0908495 1 1 7036 19048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6382 1 4743 1 1 1 11647 21160 3418 1 1 1 1 3519 1 1 1 1 1 C32 H52 S 59699 68947 76951 1 78168 46669 43463 41970 71961 89554 51330 82510 66245 59323 29840 34958 61700 56127 59608 69449 89472 60042 60374 73125 26943 1 24834 35928 68746 1 42438 1 49483 48144 1 60909 27436 192.115@1.1252834 1 1 30555 1 1 1 1 1 1 1 9521 1 1 1 1 1 9721 1 1 1 1 23458 1 20580 1 1 1 1 5846 1 1 1 1 1 1 31152 21346 Okanin 4''-(4''''-acetyl-6''''-p-coumarylglucoside) 1 30088 8847 1 13894 22984 1 1 20904 29775 33646 1 1 1 7215 12777 14965 11562 9944 1 1 1 8592 1 1 1 1 14397 1 1 15005 1 1 7809 1 1 1 7S,8S-dihydroxy-9Z,12Z,15Z-octadecatrienoic acid 1754350 1 462793 128088 549438 1 141881 380041 1 91327 428828 186868 432759 195245 652051 188235 389047 235671 580096 121161 49862 775359 124639 107038 235735 586284 514787 106969 199493 25493 65063 90454 37604 116040 64903 150652 294417 692.6472@1.0942184 1 1 5235 1 1 1 1 1 1 1 1 1 1 1 1 1 5203 1 1 2809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 562.4037@1.128833 36426 1 17388 1 1 1 1 1 1 1 7490 1 1 1 1 14883 1 1 1 1 1 1 1 20013 1 1 1 1 1 1 1 1 1 1 1 1 1 411.2617@1.0940025 47520 1 216401 1 76354 1 109747 1 1 1 49936 32272 88901 22977 1 25217 1 41693 1 18539 1 99536 33238 1 1 1 1 1 51617 1 24372 1 1 41429 21992 46564 68353 663.6161@1.0984019 1 1 8229 1 26283 1 1 32038 29182 1 1 30872 17447 1 1 5776 1 4684 1 1 1 1 1 1 22940 41938 1 17756 1 1 1 1 1 1 6740 21918 19649 4-oxo-9Z,11E,13E-octadecatrienoic acid 1 38929 271261 156473 335017 29084 214689 284444 37984 54034 1 1 315616 124322 108942 131132 1 184415 1 79510 62026 1 94803 51817 255626 1 352244 1 124231 23445 81048 48175 27245 95839 78355 207357 229103 781.5278@1.1011045 1 1 9231 1 1 8500 1 1 7256 10542 7889 7816 6755 9754 1 1 1 6236 1 4846 1 3861 1 6826 1 1 1 1 3466 1 7954 5196 4864 7053 1 1 1 78.0464@1.099 1 1 5142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C41 H86 Cl N2 O4 1 1 10147 1 1 7218 1 9506 8564 1 1 9792 7498 1 1 31661 1 30286 6713 1 7624 1 6552 1 1 50769 1 1 1 25394 1 1 5460 1 1 63141 4955 469.2702@1.1 1 1 28786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 MG(0:0/22:2(13Z,16Z)/0:0) 11825 18691 61243 1 21334 19925 21573 14804 27565 20412 21137 1 15736 24099 10992 1 21714 14084 12818 21473 23629 10548 27934 30138 23602 17538 13804 15737 14572 1 14813 15438 15758 23441 13817 1 1 C19 H39 N S2 805938 1 281781 98597 300939 19748 247075 282686 1 1 75550 39268 180089 86683 326572 99691 84799 203552 245673 66635 1 261331 74736 23172 122697 244610 236518 1 90770 1 43308 1 1 56455 40897 198268 209217 619.479@1.0976723 1 1 15418 1 1 1 1 1 1 1 1 6977 1 23496 6294 23805 25454 29257 21246 1 1 1 34003 1 1 1 10751 1 18921 1 1 19812 1 1 16704 5474 1 DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0) 159167 159030 156971 276416 127637 205705 173724 178992 215646 182107 166693 175666 219994 223103 159534 211901 190555 136546 213425 154831 192580 144493 231426 266698 214313 192648 174495 186755 206775 1 190248 244068 218729 222723 212718 189676 188250 560.1307@1.111954 1 9010 4209 1 5976 5977 1 1 7291 1 4969 1 1 4337 3899 1 2648 1 1 1 1 1 2814 1 7769 1 1 4963 1 1 1 1 1 7024 1 1 1 C34 H50 N6 O6 S 28482 24410 37219 51765 44815 7794 4877 1 43158 60048 11318 40601 18651 63233 24699 1 14059 15267 23843 29947 18850 40397 11921 12131 30064 40880 1 11289 7156 1 44395 18569 7056 5075 4697 4981 6836 723.6059@1.0922968 7554 27303 201759 42554 1 29377 187944 1 30061 1 203504 1 1 37273 1 206315 1 1 1 1 202831 1 202907 1 3743 4537 1 30211 192255 1 1 1 34461 1 1 1 1 C35 H77 N14 O3 660797 1588970 1135575 1302388 910567 1306614 1088407 768012 1299775 1083827 1116424 1066649 1282164 1283618 856902 1203765 1258743 856688 910542 1111972 1212577 762305 1199698 1337151 1196128 1012220 1106476 1199538 1055362 1 1269754 1270359 1199178 1168158 1124657 1010395 1017968 MG(18:0/0:0/0:0) 1046898 3248425 3653850 1430107 3943007 2707939 2729613 928083 1997722 1388810 2019210 1959542 1929993 1976706 1250987 2100158 1952267 1546949 1296188 1573128 2111263 1031361 1966249 2171943 1761644 1745214 2017994 1800815 1747146 1 2215321 1736902 1914392 1843572 1481772 1737521 1846361 C18 H34 O 17644 76308 73091 25051 82672 52748 51183 15464 37243 26494 39514 31895 32455 34594 20076 35310 34046 30190 24978 26004 41609 18896 37324 36725 32056 23065 29181 32094 27073 1 45186 28970 29122 33464 29379 31756 37263 494.2576@1.1052226 1 1 18651 1 12433 14741 11406 1 14540 7603 1 1 11674 10630 5347 11521 10914 1 4593 1 11170 1 7682 13634 1 7265 6631 9033 13887 1 7781 11750 13263 1 9722 9542 1 675.3076@1.1037425 3162 1 5229 4532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.6113@1.09993 45229 54858 89341 36513 1 60024 1 1 46622 1 69883 39044 1 1 41182 1 1 1 31684 56990 1 1 1 1 1 1 1 48220 1 19279 49167 38347 1 1 37441 33672 48564 C32 H37 N S2 6262 11598 27934 18640 21258 23251 20816 12187 20870 18680 17414 21201 23944 19476 12758 17397 17316 12881 14558 11301 20971 10950 16379 22136 14083 13742 17940 19575 16530 1 20861 17187 20702 16661 14424 16159 15896 397.2466@1.1333699 1 1 26033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C33 H31 N5 O 7366 4320 17603 12438 14702 14885 13843 1 10565 9697 11006 10729 16134 11528 11794 12368 13517 1 1 7042 12751 7328 10052 15494 10173 11054 9958 8729 12987 1 12328 9001 13125 12349 11215 9651 8473 356.2905@1.1052545 1 54319 163186 1 72244 1 1 1 1 37678 34324 1 1 1 1 1 1 1 1 31607 1 1 1 1 1 1 1 40342 1 1 1 1 1 1 1 1 1 417.2356@1.1166131 177389 1 383220 1 1 1 197065 183201 1 1 70819 1 1 31143 70891 60530 22590 161503 1 1 1 98861 1 1 1 17050 62499 1 1 1 33738 1 1 97349 129918 317677 175487 738.602@1.1154525 34113 50788 64276 1 66867 1 1 1 1 1 57847 1 1 1 1 1 1 1 1 43678 1 1 1 1 1 10646 1 48700 1 1 1 1 1 1 1 1 1 1107.9235@1.1042902 1 14719 6539 9598 3998 9920 6948 1 10700 8058 7935 7688 9950 9118 5691 7145 8729 4567 5677 9181 11310 1 9330 12537 6540 6912 7096 10522 9700 1 10644 10919 9663 7645 9897 6836 5919 C38 H73 N O3 2233 9027 8828 15339 7779 4976 8904 1 1 11821 8040 1 1 3858 1 9787 10224 12934 8153 4340 12827 1 9305 9310 1 1 1 3727 1 2274 8083 6870 1 5614 1 1 9048 421.3037@1.1157502 1 1 28130 27246 70383 47894 44178 18200 1 31835 41607 33588 14921 23019 42298 43451 11835 42760 20531 1 15636 10191 57179 44544 1 1 5990 1 16049 1 55381 44836 1 1 1 1 1 C21 H29 N8 O 1 1 667240 1 239559 38194 250431 1 1 64459 128253 155445 188996 95723 1 157727 109539 114032 47133 79450 1 283392 110755 1 1 1 1 1 119995 1 92876 1 1 150728 104669 138796 171383 Loxtidine 684048 1 292270 54489 161083 1 332101 255967 1 1 126988 60354 98508 65715 197491 98720 1 246127 1 55327 5273 214961 83191 1 78789 148109 133830 1 73328 1 47397 1 1 64125 56476 323241 298939 C48 H85 N S 1 1 30505 12745 1 1 1 17936 12959 17596 12054 49467 8836 2052 20647 16504 10530 24317 8271 11283 5095 3680 7076 13611 7549 62153 1 7797 1 1 10024 7099 1 5561 18675 1 19014 899.7922@1.1121328 1 39297 50043 64354 53132 30139 1 1 1 1 1 26435 1 1 1 12308 1 11947 14665 1 1 1 21505 1 1 1 1 1 1 1 18969 1 1 6297 3189 1 1 783.5286@1.11 1 1 4357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.2517@1.11 1 1 109109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Loxtidine + 1.1110786 15161 10072 27544 1 31929 17605 1 1 10093 20082 22002 13481 1 1 1 14106 1 7603 1 12815 1 12997 11031 1 3677 1 1 11033 13582 1 1 7157 5676 1 1 1 1 Buspirone 361206 337824 447832 140322 251555 34334 1 222382 97407 274520 1 129743 71563 229606 1 1 1 235498 129341 147812 48276 293032 85892 55590 114709 138410 1 19869 173719 1 108739 1 76545 1 147061 559339 224092 C39 H82 Cl N2 O2 7173 20259 43224 19348 28625 13672 15215 1 27350 26509 23719 1 1 12083 16399 26588 20322 30728 13818 17815 15887 22757 13032 22304 1 1 11000 1 33640 1 18392 13073 1 26522 20122 22829 1 597.4253@1.0773528 1 1 8800 1 1 1 78600 1 1 1 42392 1 1 1 30960 1 1 1 1 1 1 26943 1 1 1 1 1 7120 1 18547 1 1 1 1 20106 32876 1 737.5987@1.111754 21689 52610 44305 13073 46513 50972 27202 11372 35327 207042 68278 41057 11086 1 24031 35206 18405 16872 19089 48995 17069 119167 35768 24162 12982 1 1 40729 28832 1 1 30004 1 29922 1 20236 29071 581.4325@1.105068 1 13442 16508 1 1 35261 1 1 1 1 1 10870 1 1 1 1 1 9346 1 1 1 1 1 1 15994 1 10051 286225 1 1 33459 1 1 1 1 1 1 336.2647@1.0958407 1 1 16048 1 15573 1 1 1 1 1 1 1 1 1 1 1 8270 9017 1 1 9445 1 1 1 1 1 1 1 1 1 6767 1 2267 1 1 1 6358 C21 H41 N O4 1 37601 46910 17039 1 34748 23452 1 22754 37540 47170 23423 1 1 1 27668 1 1 1 30932 21952 1 1 1 16329 1 1 1 25687 1 27256 1 1 14952 1 1 1 461.2616@1.1596166 1 1 131929 1 1 1 1 1 1 1 1 11735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23335 1 1 Strictosidine aglycone 46936 51163 63779 54424 45544 39561 40114 32130 53849 44008 41617 43339 114276 50112 58203 43829 40670 50398 36083 38610 43944 42356 98306 39835 50016 58679 36760 38500 40797 1 53911 34658 1 11722 1 1 1 727.6022@1.1169428 1 1 14936 1 13637 18171 1 1 1 20437 11270 1 15658 1 11788 1 13866 1 1 16504 1 1 1 20472 1 1 1 1 1 1 1 14909 1 1 1 1 18067 461.3355@1.1112067 1 1 25841 64841 45485 1 1 56007 42122 1 16341 1 42029 1 45856 1 20921 1 1 1 38336 1 35997 1 90063 1 26793 29876 1 1 1 1 1 30918 1 36714 1 643.5898@1.1208527 1 1 5955 6014 1 4890 3204 1 4294 1 1 5254 1 1 1 1 1 6408 1 1 1 1 1 1 2170 1 1 1 1 1 1 1 1 1 1 5361 3571 615.5838@1.119617 1 1 41655 1 4046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C9 H13 N O7 S + 1.1103886 2534 58561 16793 10428 8801 22851 7590 1 28892 21681 26445 1 7023 9879 4128 7301 20460 3629 4125 22452 8110 7117 1 5014 1 8833 7564 18947 1 1 10936 1 1 7974 1 1 4718 Ferimzone 88528 22979 34495 42239 41898 50699 1 1 20753 67239 13466 60763 24616 56227 1 1 40523 22523 1 20048 1 43390 1 40405 1 1 56056 27880 73770 1 67408 55787 36008 31072 64251 1 1 4-Dodecylphenol 18676 18555 36044 6271 47953 23713 18787 1 15414 28912 33998 21201 1 5364 16751 18788 1 59105 8090 1 16929 1 15326 1 10423 1 1 18835 31523 1 18413 1 30122 1 1 52161 26944 MG(0:0/20:2(11Z,14Z)/0:0) 1 34759 44083 1 1 40493 1 1 40227 24051 24518 1 29371 26463 1 37295 1 1 8569 17789 29712 1 39336 33602 1 1 1 20673 32279 1 45142 23995 38226 27870 25146 1 1 Jasmonic acid 113299 89597 73819 26033 76664 258952 94926 47260 33788 1 1 106814 34575 45360 52857 78198 48899 32320 57925 1 58212 35337 1 98020 92258 41957 74905 1 1 33454 38543 1 41154 1 1 1 36343 C17 H39 N4 O3 34820 1 68780 34812 51912 18785 40707 22763 1 14389 35939 14750 34814 45255 28879 1 28584 1 15208 1 1 27817 1 1 25130 1 1 12256 8184 1 1 1 1 14616 46915 30073 1 222.1618@1.1149958 53317 57177 62272 1 61379 73794 55423 35920 60930 50046 41187 68610 62687 34315 46798 39767 46699 31609 41580 60502 80038 1 56510 1 30430 1 1 50958 70415 1 49622 40734 53889 60361 49814 45107 41178 452.3131@1.1725311 1 1 61627 1 13885 1 1 1 1 51501 1 1 1 1 1 1 33205 1 1 1 1 1 1 1 1 1 1 1 1 3217 1 1 1 1 1 1 1 C27 H47 N S 1 22486 33455 22418 30883 23839 28857 1 1 1 1 21383 21375 17547 17429 16851 19190 1 1 1 1 15720 17547 19472 1 1 27484 1 18212 1 22234 15506 15361 20885 1 1 18049 383.2302@1.1107485 1 1 163843 1 67877 1 1 1 1 1 45579 38168 50680 1 31399 1 1 49415 32251 1 1 69722 42305 1 1 1 22072 1 29636 1 1 1 1 48006 1 1 61928 441.2361@1.1236916 1 1 569265 1 103504 22839 114255 25897 1 24547 108315 140116 45740 1 70440 1 1 65021 1 1 1 183103 77436 1 1 1 1 1 1 1 1 1 1 92506 52485 128240 136948 775.5521@1.0943054 4564 1 4516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.2292@1.1164654 17955 1 6287 1 19050 1 19506 1 1 21617 21953 1 24485 1 23120 16565 15345 1 1 1 1 16869 1 3756 23449 23618 18290 21845 1 1 1 1 1 21136 21514 17525 1 C28 H57 N8 O 1 11507 15855 14051 1 10413 7270 11293 38708 7404 6419 3828 4099 23992 3321 10107 7219 6380 5740 8667 7960 6813 12112 5637 7946 1 9505 6640 6243 1 5053 8904 1 7397 6957 22098 1 C40 H81 N4 O4 S 207770 533336 367419 29244 254265 401803 332405 257738 444496 376087 343499 1 391941 400745 278726 357832 384460 291336 295955 346877 368405 245809 1 404384 384032 320124 6754 391774 8990 1 393818 415121 361045 398139 384124 324365 300757 346.2083@1.122271 88916 1 10560 1 20323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 601.5781@1.1201752 1 1 7293 1 1 1 1 3446 1 1 1 3864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5086 1 C39 H79 Cl N7 O2 31870 78669 53671 58941 42098 1 48733 1 70001 54849 50393 51676 56542 59000 38281 51799 55985 39152 43780 52699 57199 35235 1 64432 52614 42924 46795 60242 52934 1 62025 60319 1 58382 58842 47464 46796 422.3067@1.1120433 1 1 13202 1 1 1 1 11763 1 1 1 1 17968 43060 1 1 8843 1 11441 19257 1 1 30021 1 13616 1 1 1 1 1 1 1 9157 14255 1 1 1 679.609@1.1161505 1 1 19691 1 1 1 1 12655 1 5743 1 18436 1 1 1 12808 8065 4897 1 1 1 1 1 1 1 22018 7315 1 1 1 7435 1 1 1 8044 7533 1 543.3819@1.1239438 47451 1 22787 1 1 48001 1 1 1 1 1 1 17140 1 1 1 1 1 1 1 18640 1 1 1 1 59059 1 1 6160 1 1 1 1 21636 1 1 23127 711.461@1.1206167 1 1 23670 1 8355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.502@1.1056448 1 1 8655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4668 1 1 1 1 1 1 1885 1 1 1 1 1 1 1 1 1 1 1 847.7628@1.1109972 10361 1 50682 98345 50648 22697 1 1 126649 1 15111 14875 11328 11465 1 11156 1 1 12961 1 16030 59205 19430 1 20070 1 1 1 7700 1 1 15468 1 3447 1 1 6401 678.5611@1.116564 12541 10583 11962 20222 1 12112 9557 7218 11004 1 1 7441 8418 10689 9060 8484 8420 7222 1 1 8397 1 1 7834 10646 5737 9374 8949 1 1 8433 7351 9622 8793 8684 1 6866 633.6014@1.120831 1 1 22756 2475 11374 7219 1 1 1 1 9411 1 1 1 1 1 1 3175 1 1 1 1 1 4702 2974 1 1 1 1 1 1 1 1 4123 1 1 1 627.5949@1.1180421 1 2599 26778 1 15391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2892 1 1 1 1 1 1 C44 H75 N3 O4 22760 36879 48134 1 43572 59012 15498 16729 21570 57378 47959 34600 5212 1 7230 33229 20236 23032 7037 38807 9728 33056 13042 19658 4770 8007 1 39068 27274 1 34532 27037 6662 44691 20551 10824 36700 C16 H25 Cl N 120574 50246 97849 119913 42154 44222 138182 153332 50116 67250 55856 1 1 253922 1 39950 1 109744 105274 41087 50835 47593 35755 40695 59015 116614 46407 52737 46309 1 48846 62201 56761 46527 144360 276953 58972 DG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) 48514 66589 45204 17085 42811 55174 48165 58638 59393 60829 45737 1 63781 66441 47013 58903 60395 46402 67816 50873 60172 1 1 72159 71951 57535 56601 60471 64803 1 59801 69692 65262 67494 68419 54788 50719 Aminopentol 1 5496 14959 15966 1 1 1 1 12806 9224 1 8505 1 6000 1 8517 8763 1 1 11577 1 1 14486 11318 1 8188 12873 5724 8884 1 1 1 1 8013 7736 1 1 350.2091@1.1141026 229633 1 165343 75130 328245 1 109609 155578 1 1 1 1 148193 68797 110117 1 79898 1 57562 1 1 167179 1 1 52444 1 109013 1 1 31088 1 1 1 1 1 1 1 451.2883@1.1219544 1 1 7156 1 7282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3564 1 1 24,25-epoxy-cholesterol 30185 128767 172052 192584 485469 74592 239451 215030 82340 67859 147028 80231 119909 152471 130288 141517 151699 214751 267248 80947 44966 98530 136193 63629 699821 478880 596873 73555 26928 1 8438 52640 69895 75671 67989 165068 158345 620.5938@1.1193519 1 1 17039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5078 1 1 1 1 1 1 1 1 1 MG(0:0/16:0/0:0) 1 128400 147605 4949 1 130016 13921 1 108598 74056 5002 108047 5962 1 1 219472 1 61899 60876 79642 139750 1 92140 131220 10087 4289 1 104268 122358 10733 105770 119961 1 106316 76399 92866 84890 625.5638@1.1231477 1 1 9070 11796 1 1 1 1 1 1 1 26879 1 1 1 9828 7513 5682 1 1 1 1 1 1 1 14997 1 2981 1 1 1 1 1 1 8215 1 1 377.256@1.1204244 1 13764 61566 30768 149700 1 1 1 1 18635 1 65430 89850 1 1 51445 47198 1 1 1 1 110065 1 1 1 1 1 17415 69256 1 1 1 16890 43337 16815 1 1 621.4787@1.1255745 1 5516 5793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ceramide (d18:1/24:1(15Z)) 11761 46061 94386 47073 48116 26902 16707 13519 33906 22424 39521 28299 18126 14298 12220 19557 19458 25286 21083 26406 14642 1 20919 24437 18062 27181 22433 19417 1 1 29559 19243 1 1 14139 20148 13438 652.5789@1.123 1 1 2716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0885@1.1225598 1 1 19258 1 1 25251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C51 H72 Cl N 1 8569 5281 1 30062 1 15127 7066 7625 1 1 20912 9216 11087 9950 15803 24133 8323 3479 6085 1 5248 14658 1 7430 9035 1 7569 5990 1 1 10140 1 17421 1 9326 20501 C36 H75 Cl2 N10 9544 1 8243 12557 1 9424 1 1 12555 13364 1 1 10736 13026 1 1 1 7641 11524 8680 8934 1 12014 12834 1 1 8558 10175 11347 1 11576 11387 1 11749 11612 1 8798 762.4752@1.123 1 1 4739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 617.414@1.1261764 36606 1 10280 42937 1 1 1 1 30446 1 1 7816 20339 14564 1 7982 9893 1 1 1 1 8819 1 8713 54566 16257 1 1 1 1 6934 1 1 5578 1 1 9847 376.2245@1.1274241 1 1 147381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240428 1 1 1 88733 1 1 9716 1 1 1 1 1 1 1 76176 553.4546@1.1145568 1 1 27732 129045 17043 1 1 1 1 35691 1 18086 1 1 1 1 1 1 1 1 1 1 1 1 17847 20802 1 1 1 12312 34760 1 1 1 1 1 1 873.7769@1.1131074 18223 106429 155368 272383 171269 73016 20297 1 225958 1 1 124976 1 1 6402 40960 1 1 28733 1 41292 1 36774 1 1 30584 8607 37414 30421 1 54576 42660 42012 22203 16278 1 1 520.4125@1.1267763 1 29339 39891 1 48074 55023 36202 20407 1 1 24941 47032 34575 20220 1 1 3310 1 29859 1 46012 1 1 54694 1 1 1 1 1 1 1 26399 1 27228 58587 36318 1 C39 H58 Cl N5 1 1 10468 50797 23096 11378 1 18489 40735 16034 15459 14835 12570 12707 1 1 12404 1 21885 19392 1 1 13640 7344 70407 24279 18254 1 12289 1 13262 1 1 1 6832 31086 1 Chaulmoogric acid 192012 59644 29905 51793 220615 106975 41775 136656 80750 102529 70555 31666 194697 111607 101056 80218 92185 59696 91376 125696 110312 110460 48439 72366 33730 116932 42027 1 93392 1 29683 100885 70639 30298 128205 187975 25567 290.1877@1.1252927 118655 1 51843 1 107333 1 46920 53015 1 1 1 1 1 1 1 1 20855 31949 46593 1 1 46198 18357 1 1 50928 1 9990 1 1 14104 1 1 1 15588 41226 1 C26 H50 N6 O3 34424 23237 12651 1 1 12874 12707 1 8640 25722 13995 1 1 6218 11735 21858 24966 11782 17999 1 32396 3627 1 39857 1 21298 19906 10849 1 1 1 18503 8898 16736 10834 1 5314 C38 H77 N4 O4 S 68888 106252 77959 66818 100183 72710 62919 1 88385 78197 74847 63053 69698 72371 66053 67524 75356 57198 58620 62705 69519 47134 1 70874 86105 65446 77442 76640 70601 1 76097 73386 1 77839 78287 65356 59110 507.4615@1.1251622 1 1 5934 5969 1 8999 1 1 1 7487 1 9774 1 1 1 1 4967 7195 6662 6099 1 1 6851 1 1 1 1 1 1 1 6813 1 1 1 8684 9158 8342 481.4475@1.1178908 1 5950 3686 6229 1 1 1 1 5405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2884 1 8857 2034 1801 1 1 1 1 1 1 1 1 1 C24 H47 Cl2 106851 1 34467 48954 84843 1 97236 69652 1 23471 59827 1 37653 1 1 45253 16039 33446 67496 1 27988 22350 23212 30743 32017 28250 24528 1 17133 1 1 20901 17599 1 1 59972 75333 (22Z)-1?-hydroxy-22,23-didehydrovitamin D3 / (22Z)-1?-hydroxy-22,23-didehydrocholecalciferol 20704 1 47736 50198 1 45849 1 1 96657 72940 47417 40154 1 68729 50993 1 41314 59374 1 25263 23192 1 1 1 58438 76745 1 65894 1 1 59251 69489 21690 1 63149 65635 1 530.315@1.1263297 1 1 6368 1 16301 1 1 1 1 1 1 11169 6395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Athamantin 21127 1 20485 19941 1 1 25063 14903 14081 10885 12437 1 1 17775 14203 17059 16779 19617 16532 8151 1 23262 9140 10387 15900 16546 1 1 8815 1 15814 8318 1 1 3899 1 1 456.29@1.1158186 1 1 8344 1 1 1 7910 1 1 1 1 1 3387 1 1 1 7916 6303 1 1 17503 1 1 1 4188 6937 1 6839 1 1 1 1 1 1 5949 1 1 447.2159@1.1100391 1 3830 68979 1 7937 1 1 1 1 1 9628 7766 1 1 1 6095 1 1 1 1 1 20835 1 1 1 1 1 4417 1 1 1 1 6746 14611 12755 1 1 389.2767@1.1357458 1 1 19889 1 1 1 1 1 1 16855 23978 1 1 1 19847 1 1 1 1 1 1 15513 1 1 1 20033 1 32292 43748 1 1 1 18444 1 1 19486 1 C19 H29 N5 O4 294759 1 144015 1 1 1 1 67991 1 17636 1 1 1 36214 1 1 1 99687 1 1 1 1 1 1 1 1 33021 1 19545 1 1 1 1 1 22478 119277 1 531.3779@1.1687552 1 17834 48332 1 1 10198 1 1 21023 1 1 65952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54017 1 1 Ubiquinone (Q2) 1 1 49770 1 21550 6856 1 1 1 1 1 10261 25094 11690 1 1 1 1 1 1 14529 28922 1 9255 1 1 1 1 1 1 14572 10435 1 12613 1 1 1 696.5691@1.1251916 1 1 7021 503986 7916 1 1 1 1 1 1 372334 7651 1 6490 1 1 1 7109 1 1 47524 436659 1 1 7906 1 10279 8196 1 1 1 9591 9121 1 7776 7012 495.4618@1.1132843 1 3942 5489 8151 1 2547 1 1 8588 1 1 1 1 1 1 1 1 1 1 2446 1 1 4461 1 1 1 1 4817 1 1 1 1 1 1 1 1 1 364.1887@1.1777319 115711 1 18989 1 121405 1 1 1 1 1 1 1 1 1 95604 1 1 1 1 1 1 1 1 10877 1 1 1 1 1 1 1 1 1 1 1 1 38467 296.1263@1.1286856 27462 15740 30510 23572 21507 13781 56902 24589 1 21179 1 12262 1 23468 1 1 17868 1 27364 13916 1 27790 11078 15964 27687 24957 46331 1 13019 1 23589 1 1 1 1 24546 1 Spergualin + 1.1258513 352518 1 60840 56728 194817 1 181662 81707 1 1 177973 1 1 20172 206856 122418 33321 111567 96911 64740 1 68809 94749 1 33205 61749 37294 1 1 1 1 1 1 27694 1 89721 138922 C26 H56 Cl N5 S 44446 49524 58837 49915 81492 54039 45016 25362 64478 1 49678 51365 47490 34319 1 56090 37686 1 45136 44852 32445 22263 46835 73296 1 32916 42059 33639 45937 1 41987 35667 28974 1 35649 29104 32180 Traumatic Acid 178557 1 33589 34062 26949 1 158435 68017 48222 95126 70571 1 98469 105180 96818 71376 76137 65572 102883 51398 40473 121989 28374 61916 119280 1 121158 22534 65244 40242 58182 31566 50448 92373 1 78809 98933 C17 H36 O3 46852 57944 68725 76786 52536 80077 51259 67699 76712 85984 65069 71290 52244 49407 69667 65175 48315 76463 65994 83284 41469 51325 53747 58148 43768 96884 66612 76126 73194 1 69517 84421 62295 71924 84128 76336 67257 Ceramide (d18:1/16:0) 35392 35881 44628 18516 39902 1 32251 1 30810 21643 29024 18278 11998 16475 11044 11442 11491 16456 17799 16350 9988 8485 15420 15907 15634 11665 22572 14359 14938 1 17515 1 1 9158 19840 24396 1 17-Ethynyl-10-hydroxy-19-nortestosterone 1 25929 60038 50264 68948 9689 45906 21489 30320 22304 27861 30454 74680 42663 24929 43859 68450 60317 75923 1 24365 38396 32487 91273 21085 37917 26010 29024 1 1 63370 60126 1 19229 23764 26381 1 769.5871@1.125632 32433 1 5500 8855 19475 1 28608 1 1 1 1 1 1 1 28132 1 1 18107 19357 9723 1 11535 6591 1 1 9758 4431 1 1 1 1 1 1 1 1 17155 25504 585.4087@1.121237 15694 1 30635 91484 1 21089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26608 38308 1 1 1 1 1 1 1 1 1 1 1 29494 695.6411@1.128 1 1 10483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.1979@1.1095724 4960 1 40968 1 1 1 1 1 1 1 1 1 16085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8757 1 1 1 1 1 1 17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate 181686 407531 491423 496395 508917 459143 364817 411119 396054 354304 370455 540859 546093 544320 358482 380678 365957 464080 448212 287674 629735 282072 457879 334810 604603 301806 638141 409577 308063 1 359868 339111 498542 486493 490291 452896 304974 753.4698@1.147398 5455 8650 20240 1 1 7425 1 6430 1 9287 5694 1 1 5935 1 5189 1 3488 1 1 4001 1 1 6226 1 1 1 5677 1 1 4139 1 1 1 1 7877 6474 C21 H40 O5 1093208 1434368 1481005 675508 1895822 1236227 1463266 806375 1211130 884146 1335868 1180004 786716 991127 1005624 1100379 1089942 921773 987863 987235 1020695 914981 908162 1123839 1287467 1157985 1344026 1077787 1056471 1 1259052 935732 823768 721699 688339 1025739 1114252 C10 H19 Cl O S2 1 76322 28187 1 1 13454 1 1 52811 133766 57117 81701 100426 1 1 1 31713 12271 22926 79132 31819 1 10967 1 1 1 38568 23021 49892 1 45945 1 14270 1 1 1 1 780.4999@1.1257378 1 9935 31494 1 1 6641 1 1 1 1 3131 19177 1 1 1 1 1 13454 1 1 2950 1 1 3340 1558 1 1 1 1 1 8640 20363 1 1 1 1 1 459.3178@1.1294568 1 16918 14920 15433 20704 21173 16844 34802 1 1 1 19267 13316 1 1 26991 17247 25269 1 1 1 1 1 1 19162 1 1 1 1 1 1 23698 1 26280 1 23158 24183 448.3179@1.120718 1 1 7149 1 12922 7646 1 16433 1 1 1 1 1 1 19147 1 1 1 1 1 1 1 1 1 1 1 32303 1 1 1 1 1 1 1 1 1 1 473.2259@1.1651677 1 1 249524 1 1 1 73981 1 1 7503 1 1 1 1 1 1 12579 1 1 1 1 1 16435 1 5361 1 1 1 1 8750 1 1 1 53000 8874 83225 133156 C15 H33 Cl N3 O4 1 46391 54864 1 1 63299 41515 37460 52528 42572 39437 40633 1 78079 45103 34974 1 1 34140 33362 38743 1 55332 41801 41902 1 1 1 1 1 37476 43074 39990 47207 72830 47753 26878 523.4942@1.1272256 2218 1 7038 1 1 1 1 1 6402 2904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26-Hydroxycastasterone 8631 1 12677 1 1 1 32738 10112 19175 1 19262 1 9541 1 1 1 1 1 36589 1 12532 1 1 1 1 1 1 1 1 1 14253 1 1 1 1 17863 1 511.4563@1.1089655 1 1 11583 1 1 1 1772 1 1 1 1 1 1 1 1 1 1 14530 1 1 1 1 1 1 1 25362 1 1 1 1 1 1 1 1 1 1 1 668.5382@1.1292306 1 4779 18913 4143 22186 1 1 69886 1 1 1 16047 3043 1 1 1 1 3668 1 1 1 1 1 3204 1 1 1 4661 1 7580 1 1 1 1 4260 1 1 755.6128@1.1304907 1 23161 11949 18962 14489 14931 16278 1 13186 5170 1 12430 14074 1 9180 13037 12725 8899 11810 13451 13493 10087 1 14006 16213 1 12549 7405 10950 6192 15602 1 12387 12434 10951 12642 12019 406.1994@1.1522738 1 1 11260 1 1 1 1 1 1 1 1 1 1 6558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12308 1 1 1 1 1 1 308.1987@1.1471931 1 1 85466 1 100813 1 1 125814 20251 1 1 1 47369 1 161605 1 1 1 1 23169 1 1 1 1 1 1 1 19808 1 1 1 1 1 1 1 1 145467 C16 H34 O3 1 27427 29054 29184 25774 25015 22508 24583 27799 25801 26735 22497 21715 22445 25150 24052 19781 25851 26805 26390 17718 21145 20047 20412 18221 33248 23416 26819 24628 1 21883 28085 19601 26461 25100 24620 22174 571.3987@1.1217955 1 1 25390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33685 1 1 1 1 1 1 1 1 1 1 1 1 2985 1 1 12-oxo-10E-dodecenoic acid 51894 1 27606 27141 53948 39038 100258 1 1 1 21236 40893 50496 1 82071 42223 28239 31522 89294 1 16556 62731 19980 1 35731 53626 20237 1 31119 1 1 1 1 1 1 30482 31010 208.1104@1.1222334 25984 1 42216 1 1 14017 1 1 1 1 1 1 1 1 17848 1 1 15180 1 1 1 1 1 1 1 1 1 1 1 1 12614 1 7258 1 1 1 1 C36 H68 Cl N2 O 1 1 8907 11519 4449 1 3518 1 28156 4578 1 1 5588 20958 1 4805 1 19541 5261 5458 1 4264 11769 1 1 1 6456 7226 3893 1 10082 1 1 5568 1 18887 1 C33 H62 O S2 1 40210 26469 1 12503 42485 1 29583 41076 1 1 1 1 27549 1 1 50776 1 36557 1 55811 6257 1 12784 1 8554 22640 1 53965 1 74999 25677 48415 7785 46692 1 1 MG(0:0/18:3(6Z,9Z,12Z)/0:0) 447848 82533 190983 152738 767788 45192 455894 186426 1 114518 400904 62896 1 1 354061 1 154878 221939 266963 174681 1 256754 99520 1 262199 205908 1 1 97349 1 101667 1 1 1 1 260917 379586 471.3539@1.1293588 16187 1 22581 1 1 21356 1 1 1 1 1 1 1 1 14926 1 1 1 1 33340 1 23238 37599 1 1 35202 11361 20551 1 1 12719 1 31581 1 1 1 1 2,4,6,8-decatetraenal 1 23970 23428 1 1 26072 22158 1 13921 1 1 18000 1 1 1 1 1 1 1 14257 1 21413 1 9528 1 1 1 15394 13128 1 13619 1 1 1 1 1 1 357.2505@1.12071 17203 1 23550 1 1 1 12034 1 12878 1 20499 1 1 1 16996 9468 1 1 24919 1 1 17486 1 1 13387 1 14332 1 1 1 1 1 1 1 1 1 6766 252.1722@1.1192772 147744 7153 36469 1 1 1 1 1 1 1 38763 36343 68448 1 1 1 31173 14495 30075 1 52585 1 16427 1 20090 1 1 1 1 1 1 1 1 1 1 1 33804 C24 H47 N O 19935 26284 72780 25178 27207 32471 23755 17987 28482 13782 19613 19137 10629 12273 5916 14794 9673 16421 9449 9781 15300 7241 32408 12110 1 32734 1 9400 7862 1 43503 11683 42222 5385 12202 17588 11470 641.5924@1.0839424 10420 6093 4000 18872 19826 2380 1 2728 1 2081 1 1 1 1 1 12858 8941 2840 1 1 1 1 1 1 1 8314 8304 1 1 58278 8841 1 1 1 6951 3197 1 642.4489@1.1290601 1 1 3046 1 1 3226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Embelin 90921 1 43869 1 39208 20584 40981 20670 20310 14227 1 66282 62352 44189 1 47790 35205 35524 26219 50115 29777 58234 23816 49971 30149 27661 36010 1 29422 16627 33315 54505 1 18600 11655 20938 17178 479.418@1.1339947 1 1 10761 11778 1 1 1 1 34573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12-trans-Hydroxy juvenile hormone III 1 59539 94487 1 1 87635 32632 1 47738 1 51841 39730 45769 1 38808 28703 1 45858 35825 58035 1 49578 1 41538 1 37100 1 45408 43040 1 24905 29473 27642 27969 44512 14744 29459 665.5561@1.1322609 3754 1 5310 5667 1 1 1 5475 27354 2851 1 4031 1 1 1 1 2888 16444 1 1 1 1 1 1 1 8751 1 20462 1 1 4175 1 1 1 5966 5528 5263 484.32@1.132 1 1 4826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1654@1.1367115 24081 1 27160 22233 11338 1 1 1 20109 1 23028 1 1 13051 1 14531 12479 1 36063 26481 32178 23617 1 1 1 1 24384 18285 45579 1 1 1 12892 1 1 1 1 813.5174@1.133 1 1 4884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.1443@1.1313593 1 1 41503 1 1 45986 1 1 1 1 1 1 1 24565 1 1 1 32975 1 1 34571 48899 1 1 1 1 1 1 1 1 1 1 16658 17564 1 1 1 Isosafrole + 1.1335262 38668 74661 60571 26565 18224 93845 41227 22937 23213 17348 44998 36733 37850 29337 52706 26095 19500 1 26222 22644 32303 32802 22805 33640 21840 24350 20288 21028 22006 1 25072 21969 1 39089 21079 20446 1 350.2448@1.1342353 572881 1 164838 74836 452050 48055 337108 1 1 55376 334213 35810 1 67477 363582 180593 132334 169045 1 100905 1 1 74147 1 1 134323 1 24635 62614 1 68870 1 1 1 1 160191 297351 649.5612@1.1319792 14576 1 24138 9781 20495 1 8796 15953 1 8648 7310 1 8734 1 1 11378 1 14725 8228 1 1 1 7638 1 7428 1 9174 1 1 1 11084 1 1 1 11556 15644 13398 226.1206@1.1348252 105045 1 37515 1 17857 32420 1 1 1 14560 1 19190 1 1 1 17111 1 1 1 1 34170 1 1 1 19403 1 14538 1 1 1 19366 1 1 1 1 42068 29002 C14 H14 N4 46601 116288 83543 44138 1 143900 51121 26671 43246 29862 83447 1 59891 1 80779 35088 1 34203 38990 45487 57376 52053 1 1 30426 37208 34936 30005 32062 1 47328 38750 25836 71212 39010 31015 1 PGC2 56046 1 173668 106058 140471 50106 96355 189776 1 1 27273 1 269959 92008 1 7524 151548 35972 1 1 44433 1 50271 1 1 60766 59252 1 98904 1 9600 40698 1 65111 63664 153251 140064 Debneyol 50031 26500 28320 1 1 30271 12337 1 1 6317 16270 1 1 1 1 1 1 1 1 1 16114 1 1 1 1 28509 1 14848 1 1 1 16286 13917 1 1 1 1 C18 H47 N10 O 1 13716 8887 15653 11617 1 1 1 15561 1 6048 1 7963 4608 1 5544 5062 1 4898 1 4551 1 7256 4570 9228 8715 10385 1 4846 1 8848 1 1 3704 3389 5043 6238 236.1771@1.1321733 26357 1 17852 10965 1 9223 13976 1 1 1 1 23981 24091 27952 1 1 1 22849 1 1 1 16562 1 33254 15039 1 15855 1 34811 1 22477 29152 1 1 26869 1 25261 304.2031@1.1217937 1 1 16658 1 1 1 1 1 1 1 1 35118 1 1 1 1 1 1 1 22288 1 1 1 19397 1 1 1 1 1 1 7661 1 1 1 1 1 1 C51 H70 Cl N O 85782 1 19840 1 1 1 36039 30648 1 1 5838 1 1 1 1 1 1 13078 11517 1 1 1 1 1 1 15661 12156 1 1 1 1 1 1 1 1 22886 19564 390.2749@1.1305395 1 47585 61668 1 1 66402 1 1 36416 30329 1 1 1 1 1 1 1 1 1 1 64846 1 1 43566 1 60143 1 1 1 1 104596 40819 58627 1 1 1 1 C13 H27 N4 O2 1 13699 28022 1 1 25116 1 1 11938 1 10336 1 1 1 1 1 1 1 1 1 1 1 28014 1 1 1 1 1 1 1 24540 1 1 1 1 1 1 C25 H32 S2 70107 62288 83353 49863 82917 41092 63754 1 47152 58225 53652 50114 63628 67961 60368 47202 55246 1 29581 41115 47388 1 64947 62645 34580 48590 59497 37808 50083 1 71229 44367 28033 49896 44036 50389 1 249.1598@1.1340998 1 1 21237 1 1 43733 1 1 1 1 1 20516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C23 H41 N S 1 1 9314 1 13215 15839 1 1 1 9152 11466 14184 14311 8761 11823 13885 1 1 58596 15599 17747 1 1 8487 17111 7579 1 1 7452 16287 6814 10103 10625 17161 10808 12949 7652 184.1099@1.1490891 46869 60247 169017 1 1 69483 47414 1 1 1 39462 70975 23565 1 49782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61815 1 19024 1 1 1 Tridemorph 1 1 22385 17873 23866 1 18386 1 1 16928 1 1 14048 11289 10477 9577 15724 14552 20668 1 22816 18200 15231 16835 13304 10136 16471 1 1 1 18899 13531 18132 12649 10337 1 1 407.231@1.1276692 1 1 57909 1 31756 1 1 1 1 1 1 17940 1 19572 32195 12932 1 1 1 1 1 15730 1 1 1 1 32756 1 1 1 1 1 1 1 1 1 25203 348.1931@1.1465268 59939 1 44042 1 1 1 1 50129 1 1 1 1 1 1 22391 1 1 1 1 1 6310 1 1 1 1 1 145493 1 1 1 1 1 1 1 1 1 1 307.2045@1.2184523 1 10679 28757 15155 17474 37764 25746 1 28699 1 1 14175 1 1 1 16397 1 15953 17215 1 23087 20191 27551 1 19531 34177 21262 13290 22511 15893 1 14405 1 1 16915 1 19159 carboprost 296765 1 80397 32758 194653 1 322110 249520 16462 17054 187635 1 1 35820 156125 126529 59994 153715 385533 74749 1 367621 38521 1 242413 70194 157169 1 42145 1 63216 1 1 95092 1 84172 242184 C22 H43 N O 1811505 2213180 7674139 1515125 2077273 2601788 1843285 1088487 2774247 901592 1660063 1312473 765007 954579 407880 1077873 650081 1352472 559775 537425 1247430 456834 3404255 912839 535872 2745467 867447 769083 564441 1 4245302 975098 4466685 294555 827485 1454063 1025606 505.2154@1.1631272 2523 1 164495 1 8886 1 1 1 1 1 1 1 1 1 34545 1 1 1 5069 6622 1 1 1 1 1 1 1 1 1 4881 19276 1 1 19759 12071 1 1 518.1305@1.117052 1 4252 3343 1 1 1 1 1 5124 1 4530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17901 1 1 1 1 C13 H25 N O3 70540 78268 163634 67084 82845 122956 95745 56110 105704 35190 104446 95133 51237 49774 32689 173493 41999 121775 62686 47796 94278 29533 321920 65546 46668 458279 1 471185 46991 1 242484 287926 59335 26476 148975 83018 53128 693.5304@1.1380687 1 3128 4103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.3901@1.0842706 195997 1 36441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61933 1 1 10463 1 1 10232 1 1 1 1 510.1715@1.138 1 1 10137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.1355@1.1432476 1 1 37117 1 1 1 1 1 1 1 1 1 1 1 1 16406 1 1 1 1 1 1 114119 20156 13514 55025 1 49255 1 2076 58657 40882 21308 1 23428 32100 1 4-Heptyloxyphenol 15148 28087 262431 17828 153059 38627 166140 112583 19746 1 21864 1 1 84493 27468 1 102488 1 1 131020 192559 1 666076 135268 118949 31033 85264 35507 92929 1 435360 22998 116724 1 17931 224476 131874 722.6507@1.2214671 1 4260 17867 1 1 1 1 1 1 1 1 1 1 1 1 16975 1 78047 1 12011 1 11367 1 1 12065 65504 11371 1 1 1 23772 1 1 1 1 1 1 C13 H25 N O2 83776 127429 217867 105885 119305 170837 157074 100624 154065 57343 141937 124508 69615 67263 1 104205 62721 149612 106761 20987 124523 48613 1 90920 83926 257766 74134 199271 67073 1 326909 149367 75977 34348 69566 128923 89961 419.288@1.1428176 103122 1 20436 1 39966 1 28613 17748 1 1 19545 1 1 1 32736 1 1 13016 26116 1 1 16519 1 1 18669 1 12034 1 1 1 1 1 1 1 1 1 24536 C33 H47 2047 1 14437 11733 7160 15506 11177 1 11092 5207 11547 11844 1 7580 1 9173 1 8216 6658 7522 14921 7059 30403 10547 7992 18429 1 23458 7850 1 25042 17171 7073 7236 1 17230 10179 Dinor-PGD2 299663 1 148438 93866 168978 1 108850 129724 1 16983 65730 1 111750 44248 119283 43483 62161 62368 101530 15795 52186 203593 21647 1 75959 87798 84764 1 51257 1 25529 28326 1 1 44316 89976 86748 366.2403@1.1425582 151197 1 98962 30532 1 1 1 37683 1 33765 123891 1 1 27158 68333 73728 46088 43385 1 47792 1 66551 1 1 76012 38177 37751 28396 27382 1 40306 1 1 39461 1 34228 94519 C42 H83 N S3 12719 38905 21506 27938 18074 32751 21495 17208 31133 22049 24786 23311 23163 22339 12601 28090 24917 18549 13477 31930 17841 16780 16190 28176 28032 24469 22483 31035 19812 1 25682 34004 32495 32636 30039 26831 25202 311.318@1.1311879 1 24071 30666 23348 20773 1 19945 1 18335 17628 1 15066 1 1 1 1 1 1 1 1 1 1 17178 13063 1 26935 1 1 11858 1 1 1 1 1 15253 16363 1 180.1512@1.1272368 1 1 62929 26985 40178 42573 41957 1 1 1 1 27905 1 1 1 4253 7328 1 36130 1 28593 1 91912 28026 1 1 1 54111 8017 1 61594 1 21331 1 20414 1 5123 670.636@1.1403122 1 1 81186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60854 1 1 1 1 472.125@1.1389505 1 13736 7022 1 1 5761 6459 1 1 1 1 1 5366 1 5372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N1-Acetylspermidine 1 19933 12190 1 1 11073 1 5507 26901 7647 8665 1 9591 6205 1 6534 6923 3942 6239 7472 1 5549 7471 6701 10699 21185 13221 7088 1 1 6942 1 1 7902 5436 8494 6357 166.0989@1.1340485 1 1 20577 1 1 1 1 43463 1 1 1 85238 1 1 1 1 1 1 1 1 1 71364 1 1 1 1 1 1 1 1 1 1 33013 1 1 1 1 433.3011@1.1449124 1 1 54842 21716 1 21450 1 1 26949 1 1 1 28821 1 1 1 1 31545 1 1 1 1 26798 1 1 1 1 37367 1 1 1 22943 1 33172 40642 22186 1 377.3484@1.1439915 1 1 20999 28494 1 1 9657 1 1 11660 1 8603 1 1 1 9993 27531 1 9872 36341 1 7862 9850 1 10969 102038 11262 11187 5804 1 11040 7915 19074 11375 10188 11447 1 406.233@1.1415828 26649 1 15511 1 1 1 17423 1 1 1 50036 1 1 1 1 1 1 1 25085 8917 1 1 1 1 1 10672 1 1 1 1 12206 1 1 1 1 1 1 Militarinone A 1 1 28797 1 20974 20458 1 1 31212 46597 35330 1 24385 55245 25895 37465 44993 29769 32540 33845 44339 35214 62474 1 31124 31482 40395 44790 49757 1 67282 49900 41342 65020 71281 63994 47456 214.1571@1.1428143 1 1 13367 13645 1 22309 1 9373 23567 23448 25865 42834 31328 40976 1 1 5583 1 1 1 25938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 818.2168@1.143 1 1 2167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.1616@1.143 1 1 2655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C12 H26 O3 101641 222308 108796 99387 53433 170590 93373 59717 116105 79570 100574 85288 108634 92759 109671 74342 93129 67030 83345 110986 99708 94150 88007 102246 78268 119712 72768 80373 91274 1 86761 106250 69567 111744 86771 67226 74632 821.4958@1.1397042 10645 4020 5326 1 1 5526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10199 1 1 1 1 6213 1 1 8146 1 1 1 4511 4277 1 94.0418@1.143 1 1 31185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C18 H40 N3 O3 85229 183351 124897 216229 114212 93142 76276 86557 131862 21995 83938 109274 19618 128426 89340 107207 112454 63338 117768 83173 94328 11745 147715 100305 115885 80895 121773 69518 11497 1 67693 92458 89420 84439 88818 112099 1 C22 H52 Cl N9 11736 17226 35721 37227 6575 28696 13728 8153 33692 9834 15967 11077 22098 8496 6231 33475 12514 47181 10439 1 1 11112 17518 11351 22728 48529 35681 12491 35128 3853 16764 1 1 12831 12227 19422 11601 C18 H31 N5 O3 39988 78271 53459 37078 50693 66650 50514 38136 56944 36960 52254 94610 74812 28369 46927 38458 36263 41662 32881 39499 60257 1 29332 53788 35046 47670 34964 37154 31972 1 31680 61548 53310 34652 74039 41003 34160 455.2154@1.1995047 1 1 90629 1 1 1 1 1 1 1 1 1 1 1 1 1 7546 2149 9846 1 1 1 1 1 15182 1 1 1 4770 1 1 1 1 1 1 1 1 C42 H72 Cl N3 O 5606 24509 27478 18784 9345 37360 17412 19402 30607 24604 22095 19959 14655 25391 18800 32428 19003 24808 13958 25618 18546 23328 35987 20637 19758 19217 7253 31534 20650 20590 25614 48952 29637 32973 26684 20180 31245 Quinolin-2-ol 19507 237460 86765 56138 50739 100369 73544 38795 185408 273065 167756 63561 92370 147228 68363 99086 137273 85327 111111 208643 77878 71177 69315 102414 72572 56732 56473 199250 59648 1 129396 81626 37575 66352 110038 69973 72603 Tutin 26539 41273 36561 25577 39571 28874 40803 16356 31934 34292 30698 28035 33777 39189 21275 27692 29137 1 1 20710 29166 30363 39158 35528 17955 1 24908 24867 25627 1 41546 25978 15393 26351 23666 24766 19762 C22 H49 N4 S2 1 45573 52785 28267 63162 51662 51575 48754 48761 35529 46148 60945 60885 48865 37210 53324 36738 53848 28993 39800 72942 30184 45313 46388 68301 37777 37017 56170 33828 1 48991 42257 46620 52470 60359 49061 41621 527.3462@1.1352282 15870 1 14147 1 1 1 13064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3373 C22 H37 N8 O2 24243 19880 16422 1 20838 15398 20308 23338 15980 13883 16936 14012 17162 15647 15461 19262 17093 18303 11692 18101 16628 11868 12224 14418 21423 6595 1 13109 8858 1 12658 19273 1 18005 17215 11885 10232 Stearamide 1 34603 46232 29606 1 1 18207 15513 24660 26168 26285 1 21799 17673 16207 1 1 17823 19300 11244 1 17959 29558 1 1 21621 1 22574 1 1 16455 1 21018 13968 18371 1 1 323.3182@1.1426319 10298 18107 41398 1 1 1 1 1 20433 8847 1 1 1 1 1 1 1 1 1 1 1 1 25325 1 1 1 1 1 1 1 24609 1 61876 1 1 1 1 C17 H38 Cl N6 29630 1 25529 26050 37039 22255 28016 1 34556 18977 16818 1 26457 21191 17522 25350 23245 17412 24951 21996 24274 14867 1 33274 34090 19541 34555 1 22795 1 24178 20929 14213 19226 1 18100 19882 412.1871@1.1859615 1 1 20003 1 1 1 22494 1 1 1 1 1 1 1 1 1 1 1 6268 1 1 53027 1 1 1 1 1 1 1 1 7180 1 1 1 1 1 1 C18 H37 N O4 7788240 1.03E+07 1.03E+07 6744501 9246814 1.13E+07 1.01E+07 9056282 9068104 9057638 1.03E+07 1.12E+07 9155192 7099139 9237092 9056858 7209706 1.09E+07 6683209 1.04E+07 7270774 8248357 5864536 7981038 7811171 9615330 9013957 1.05E+07 8336636 7136 8212289 1.13E+07 8477796 1.04E+07 9134417 8962461 1.06E+07 C14 H24 O3 39860 1 30474 26773 20055 1 1 1 1 22005 22005 51436 53960 33017 34990 33646 1 30370 16467 1 76859 40708 29197 72197 38220 45323 45418 28514 1 1 34554 1 1 25601 36538 23674 31267 C11 H18 31333 31802 28019 18734 36749 1 29186 25642 1 6864 7822 1 22072 20741 24709 23624 20949 32169 20956 29737 30827 23674 19808 27010 19043 26979 24943 5587 24741 1 37164 35000 1 29038 27580 26871 30088 C4 H8 1 16837 15575 1 1 18782 17746 11191 10870 1 16131 1 15989 11706 16090 1 10942 1 1 15635 1 9662 8179 1 1 15560 1 11146 1 9622 1 1677 1 15264 15631 11957 14367 216.1009@1.1487509 1 31798 116769 1 1 33297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C6 H10 50153 26038 81275 45559 54448 26281 67267 68610 54259 47748 60022 71900 1 1 87124 51389 1 69127 57624 58220 25646 48659 40772 44486 1 82603 53319 93386 45612 1 49278 62765 47386 2633 1 62674 64338 4-Vinylcyclohexene 1 102605 119707 79108 123753 125849 121932 110295 1 90578 115278 121138 110252 78612 100790 94513 79358 107900 74742 98533 84718 87618 72715 84494 101876 58469 1 101656 86890 21861 1 107532 84608 106150 96740 101403 113601 Vernolic acid + 1.1473087 1175608 1673151 1588549 1062333 1500507 1869198 1592141 1444758 1387296 1381429 1640079 1752947 1470288 1104049 1452550 1415080 1137948 1711596 1037342 1594948 1208195 1236715 911042 1236524 1343992 1490921 1411963 1656487 1339593 1 1318798 1714237 1340007 1627258 1452868 1427957 1620989 335.3139@1.1488714 215747 1 456462 1 1 287216 1 1 1 262293 234945 1 1 228766 223250 291629 1 1 1 203673 1 212874 257013 1 1 1 1 1 228356 1 351735 224511 280045 1 1 274778 1 C37 H69 N11 1 10970 24420 9662 1 29390 11523 21498 9197 16666 8490 24304 9742 1 6160 12477 5800 24735 9267 8718 1 5307 1 13994 1 17349 1 1 11114 1 9486 6668 6823 1 21445 26444 24045 288.0403@1.1464332 1 1 1878 1 1 1 1 1 1 1 2053 1 1 1 1 1 3074 1 1 4318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C14 H22 4505468 6557254 6514933 4259594 6110841 7766262 6432801 5805259 5715248 5471359 6627534 7071672 6038658 4501004 5504987 5695908 4588421 6734473 4059620 6262726 5082189 4955596 3764586 4959584 5352961 5875707 5391178 6846510 5283530 1198508 5244586 6881615 5544021 6687599 6060290 5748510 6498065 Eplerenone 8694614 1.19E+07 1.01E+07 7335096 1.18E+07 4701574 1.17E+07 4366792 9355058 1.05E+07 8458522 4712600 1.00E+07 1.22E+07 6930392 7950967 9506617 3779477 5987569 5364590 8774420 7283840 1.11E+07 1.16E+07 5396259 6940501 6515261 6913810 6741638 1 1.12E+07 7386337 4944810 8317745 7582871 7592314 6145916 C14 H24 O 388459 536383 550418 333100 9937 640440 1 500900 478016 443879 529931 574845 374585 362689 448174 463155 367071 555605 325959 498098 265369 397258 1 397058 440761 467644 422783 547369 321804 112022 432036 540449 13675 522118 343491 461407 516747 C20 H39 N O 39280 74598 98299 59922 66237 46186 47590 45479 63287 48991 42262 39003 31442 39856 28639 32893 32960 38404 22628 27726 27009 22394 55208 25179 24892 58508 30373 34260 17330 1 72590 24592 65467 15424 24992 44127 26215 Hymenoflorin 143776 167120 143683 118779 161838 106639 165141 69320 127092 147100 127664 116679 147943 177301 1 119365 134462 94142 103312 79641 120842 108474 151453 157972 80376 103504 103504 98157 101330 1 157750 107466 71440 111527 121749 109936 91532 C27 H32 S3 1 16398 19638 1 13012 1 1 1 11147 14781 15578 10494 15459 20711 1 1 1 1 1 5618 15355 1 19828 18249 1 1 1 10203 11918 1 23227 8913 6848 11957 8188 1 1 C30 H53 N S 1 20662 33288 1 10750 45161 10971 29389 19049 22214 13925 42260 1 1 9278 1 11277 1 18328 12895 11042 9506 7188 26086 11553 1 1 31899 1 1 15163 18542 13684 13043 40323 37000 40992 alpha-Methylstyrene 1 209873 207069 140125 224788 172222 207404 121288 175227 186309 176201 174827 193505 194121 144449 156866 171513 149459 112662 122905 159581 152800 182184 178996 110706 143178 133265 147251 140410 17185 195299 152695 107959 156973 149038 163501 143876 Cinnamyl alcohol 71711 80450 77067 58758 87103 1 86125 39714 61423 68891 59297 62180 74933 84347 59739 56067 66568 50431 45857 38159 60511 62346 75649 75475 40693 53563 49008 46461 48051 1 76826 49512 32171 55217 53947 54891 57147 92.0623@1.1501691 48962 1 62623 1 1 1 6667 19570 43204 1 51643 40107 1 1 45897 47671 45191 51458 1 1 1 1 34089 38382 1 1 44884 1 40378 13814 1 1 25181 1 1 1 54038 C7 H10 86755 87712 121281 68048 115082 102851 105267 124478 78304 70640 91093 104005 1 67608 109756 1 1 1 36860 1 1 81559 72049 71365 79327 103629 1 65982 71020 20623 70610 80908 65988 83036 83587 91789 1 C7 H12 6529 16247 14569 1 16494 1 6600 13285 1 12167 4123 3501 1 1 13984 14442 1 14213 1 16157 1 1 10206 1 1 3225 3618 4174 1 1 15281 15018 1 13295 1 1 1 (±)9,10-DiHOME 239597 241872 211776 142137 171589 249405 176908 224816 168941 236423 217535 66970 222378 137913 175877 163532 175135 199164 159162 214460 173169 193195 110320 192730 151620 213039 212721 248309 204560 1 160351 228847 191271 222367 225195 169837 189215 187.1205@1.15 1 1 10781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.1371@1.1584543 1 1 85275 1 1 1 1 1 1 1 1 29101 31514 1 1 1 18667 1 1 1 1 19839 1 38689 1 1 1 1 19396 1 33700 1 1 1 1 1 36898 Limonene-1,2-epoxide 1247608 1304913 1884415 110398 164116 208104 1323379 159412 1639995 1522431 175100 2010486 153616 1 1578776 149508 118404 174630 115356 1572469 122316 122465 104080 122569 139438 154445 1489803 155538 1463749 472123 1033456 179157 1502419 165646 153864 1549633 1720269 443.2884@1.1462168 22752 38513 17113 25914 45192 1 1 1 1 28478 1 1 1 39754 16371 6547 10609 1 1 20222 1 1 25544 1 24868 1 19988 1 1 1 23208 1 14104 1 1 75337 1 1,2,3-Trimethylbenzene 257996 352306 330993 222685 304265 384264 336405 287163 286720 284380 326410 362326 302008 226157 279418 270921 239953 309652 214610 298744 241634 242312 197381 242946 274613 296922 272855 325430 253962 87236 267144 323929 262575 305955 302769 272331 289397 C11 H26 N3 O2 80013 88714 41001 31330 39666 1 41661 1 42279 1 52892 1 46727 38678 1 1 42105 55027 1 15001 42145 43075 22634 43565 62527 1 1 11260 34458 1 1 1 28185 1 1 1 1 723.5233@1.119367 1 1 12539 1 10413 1 1 21058 1 1 1 1 1 1 1 1 1 1 17307 1 1 1 4841 1 1 1 12322 1 1 1 7564 1 1 1 1 1 1 Ectocarpen 238179 321722 311878 217321 306350 363959 318034 277633 284616 263509 318570 333480 297436 223785 259338 270995 219301 317765 189741 292585 244180 249942 189776 231005 261359 267967 251501 315632 239219 83347 255616 319844 261993 313023 291495 275911 305560 C22 H41 N2 O 2401284 3758310 1646594 1168076 1756835 2475169 1289833 1092677 1427084 1257499 1367507 1621729 1398539 1167862 1227899 1327174 1196278 1511102 1031917 1133193 1300125 923288 1028787 1032366 1941145 1250455 1113912 1386341 1068362 61462 1095462 2435296 1203330 1313416 1888933 1276389 1138614 406.2715@1.2269514 1 1 23632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50714 1 1 1 1 1 1 1 1 9699 1 1 1 1 5308 1 1 1 C23 H53 N4 S2 15393 18353 42704 10535 23125 33476 1 15038 38002 23994 19743 14618 26797 11014 10976 20533 20498 10623 11902 15572 20138 14256 28767 19230 1 24567 34659 16449 20217 1 16927 11534 16905 18744 17360 26851 11186 C41 H75 N S2 13023 38229 20225 1 30733 30050 37238 12891 31784 19452 25063 55054 31375 27856 25309 35208 12292 20809 14925 35298 25147 15816 40387 17878 10616 15816 1 31339 18030 1 28560 39978 1 38031 24036 29562 37089 C9 H14 39289 1 41980 25424 1 45076 43646 1 33732 32271 38710 41570 41971 28051 43449 35962 26737 35278 30408 32924 32070 33568 30956 31389 33517 44305 38592 1 34741 1 31397 1 32533 35253 32359 1 35322 C38 H72 N2 O2 S5 1 1 8690 3966 15515 1 10606 1 1 1 1 1 15647 9773 14350 3291 8708 4484 11758 1 1 14584 1980 1 1 8942 1 1 4644 1 1 1 1 1 4039 8630 7280 538.1574@1.1059619 1 1 171354 1 1 1 1 1 1 1 1 833804 1 1 1 1 8733 1 1 592293 1 1 189014 4555 1 1 1 1 1 644440 1 8356 454747 1 1 1 1 C26 H36 N2 O6 165305 247262 122889 130090 167540 113822 160112 78115 128658 167769 134890 132609 171493 199218 141362 143876 154773 106186 121773 99313 144087 124937 160160 201537 114032 104772 122245 116490 134484 1 163466 140095 80264 158369 131864 123534 121244 535.1582@1.1458613 1 1 1756914 1 1 1 1 1 1 275670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4375556 98824 1 1 1 104.0622@1.1585077 48757 1 73166 15631 1 33743 31176 1 1 1 1 1 1 1 1 24809 19899 1 15288 42469 24278 57095 1 1 1 1 39527 19505 41415 17993 41607 44258 33427 1 1 50986 46079 C7 H6 54551 30906 85112 42092 1 1 66020 1 1 1 31084 60579 1 24264 1 50702 1 1 1 1 23445 27728 45506 1 1 1 54547 1 1 22761 47891 58203 40998 53354 1 1 39426 281.2715@1.1757984 1 1 67615 1 1 1 1 20945 1 1 37274 1 1 19599 1 1 13617 14998 1 1 1 4435 1 1 1 2905 1 1 1 1 1 1 45924 1 1 1 1 241.2044@1.1575167 43244 1 10882 16597 1 1 19623 23864 1 1 12913 1 1 1 1 6941 1 23344 1 1 1 1 1 1 10217 30766 17612 1 1 1 1 1 1 1 1 1 1 557.4555@1.1370513 1 1 5930 1 1 1 4890 1 1 1 20311 1 1 6223 1 6360 4309 1 1 1 5069 1 4451 1 1 1 1 1 1 31386 1 12434 1 1 1 1 1 MG(0:0/18:1(9Z)/0:0) 73426 121638 99984 74446 127227 73665 99209 37511 1 52785 77302 90275 79309 90424 70227 85225 94034 57475 89776 54261 82590 1 1 72234 1 98793 99199 69024 70231 15578 108426 83290 58217 52274 78346 82909 60427 C35 H36 N O2 S 31025 49681 17838 31136 18007 15394 32768 11016 20484 51133 17796 18197 30773 41739 18463 20720 35242 15402 18140 16811 1 21110 22187 35664 13746 15889 17375 25136 22689 1 33347 23361 10278 29318 26216 23157 14333 817.4247@1.158 1 1 4243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.2871@1.1292284 8280 1 56741 1 64182 1 53341 1 3968097 11960 1 52457 42540 1 1 1 8477 8632 38535 1 38225 43759 1 45318 1 1 46581 1 1 1 1 1 1 5810 11234 44462 1 C21 H36 N O 80010 144968 118862 89865 105388 103123 1 95439 97578 112444 94296 96018 92559 95656 95284 89341 98764 103013 96801 78598 82786 94134 103433 85167 74664 79953 80013 93300 83192 946288 88111 88099 79442 91778 89081 101618 77904 397.3167@1.169656 23965 1 9234 14927 1 7875 9542 11151 1 15522 9386 10706 19487 1 14151 12043 6344 10904 9789 9885 15745 8252 7934 11281 17933 19251 9448 6423 7626 1 14773 7345 12884 5408 12993 12746 12608 C13 H25 N O 19315 17774 29683 21577 22697 17091 22047 14084 28286 1 12093 15839 13494 9479 9871 26519 9130 30474 15593 13958 9899 1 15857 17311 21228 83905 25262 17215 6583 1 17007 10680 9976 5552 9285 16518 18019 457.2285@1.1773108 1 1 132999 1 35354 1 1 25591 1 1 47944 39554 69899 1 26885 1 1 28225 1 1 2606 43250 1 65436 1 1 22424 1 1 1 1 1 1 1 1 1 1 C22 H43 N O2 58133 1 536282 474353 435971 94278 434185 269466 627108 294766 250073 333863 220023 181157 162522 441697 212400 740512 264954 300203 239067 281213 312157 321049 332229 1546292 385823 323740 145371 107126 332792 45633 175890 110115 198299 325637 336376 191.1312@1.1609367 1 41270 32253 1 1 46431 1 1 22768 13044 29989 23624 38193 13970 22317 1 1 1 1 1 14490 14822 1 14905 14875 1 1 1 17387 1 1 1 17024 28482 29069 1 20324 421.2804@1.2117374 17471 1 25291 1 1 28758 20957 1 69006 1 1 1 17480 1 1 1 1 34778 1 1 37571 8270 12709 6934 4711 1 27342 26116 1 1 1 1 1 1 1 17826 1 787.4995@1.1602032 26150 18252 21569 21611 25732 1 18945 10621 1 24689 1 1 9615 1 1 11479 13205 18661 1 1 1 1 17156 18069 1 27544 10349 11487 1 1 17575 1 1 5422 1 1 1 323.1969@1.1752473 1 1 15843 1 1 1 1 1 1 1 1 1 1 1 6571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9277 1 1 10064 1 1 1 13141 279.256@1.1783504 1 1 10021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9660 1 1 15704 43874 1 1 1 6572 1 178.0562@1.1622175 1 195467 97476 1 1 92843 29308 1 1 1 1 49302 32871 6139 26616 22237 7552 1 1 1 27843 25708 6240 32727 1 28544 1 1 1 1 19064 19279 1 22370 1 1 1 653.3248@1.1635475 30981 1 14916 1 1 1 1 1 1 24123 1 21493 1 27313 1 1 1 1 1 11862 1 27135 1 14458 1 15734 1 1 1 1 20349 1 1 1 1 1 1 293.219@1.16424 1 1 16192 16516 1 1 23223 17306 1 1 19019 1 13973 21863 1 1 10336 1 16629 1 1 1 1 1 1 1 1 1 1 1 1 8430 1 6712 6782 1 1 C22 H22 N6 O 336729 318097 254176 250948 362916 196616 261912 170840 198563 218647 208644 244443 236227 228113 241703 205141 224758 164366 218259 186572 272279 183709 181179 261909 219767 164278 223993 155225 215887 1 254157 167265 55893 120857 78801 107396 114946 C21 H33 N8 O2 1 197132 84062 113877 155151 23584 145813 1 82334 164564 25622 36253 89245 195429 48410 33338 61562 18906 66259 79043 48362 86399 83874 64061 87174 4295 125987 13905 47514 1 59335 31234 54960 16092 26353 167181 1 C22 H33 N3 O18 109002 53446 48816 46896 99586 45558 46162 30460 51156 38999 47513 48131 46329 53303 66373 43818 43603 42322 36154 27001 64172 38506 56543 60372 34403 77845 90922 29487 38889 11025 46964 31334 18181 22626 19683 21348 14078 C22 H41 N O3 90718 123263 162045 282276 187602 85370 161371 148540 325368 128301 104431 137115 84113 70261 61465 194136 86955 318554 124073 165306 98222 155622 122011 171395 196320 774949 180186 137373 73424 124764 128562 72300 88528 64058 94755 110826 154293 9-dodecynoic acid 48007 25200 37219 1 1 1 37892 1 20414 1 20910 35148 8005 23791 27501 18836 9756 42335 9554 24109 32153 1 16390 28961 22768 62327 40986 1 24907 1 1 49803 1 1 26820 1 28844 C17 H36 O4 54191 68554 67240 67363 75783 60612 53151 47198 1 57073 57589 59149 50502 58435 43631 44063 63734 60181 43895 52923 52608 55650 51340 50261 49158 57285 1 47728 23759 11205 56665 49912 43984 38814 10524 53873 43098 255.256@1.1584002 17456 20588 52939 13625 14949 15353 15334 13323 1 1 20799 16040 10243 13258 1 1 1 14718 20573 1 20444 1 24416 1 1 1 1 14666 1 1 32708 23059 1 1 1 13463 8823 C22 H41 N O2 1 1 3032767 3828534 2839266 108578 2703293 2179968 1 2255782 1876029 159496 1491660 1229892 1077597 2924774 1697007 4677652 1761193 2048892 1 2004334 2033453 2496081 1273621 9090611 2436022 1887714 1173746 446516 1934135 1 1176930 855829 797957 1978513 2238778 C24 H47 N3 O2 1 62087 68830 1 62165 1 1 55532 1 1 40278 1 1 1 32583 63515 1 86700 1 51053 46200 47079 1 57242 60383 154411 1 43225 32222 16629 45177 31032 31828 1 1 1 60092 C27 H51 N8 O 1 4787 18575 1 9143 19802 7841 9406 13300 8837 1 21417 6554 1 1 9928 1 14092 1 6900 1 1 6622 13485 1 10256 1 15947 8127 1 7117 1 1 5722 14443 12742 13008 C9 H19 N O 60039 185337 109167 62356 1 92527 53111 32300 56470 79477 79159 66848 74640 43619 64469 49295 51075 52808 41028 43539 65599 57572 40452 75375 39885 144909 66973 43293 68946 1 103820 80427 58760 65431 63250 44392 48915 C39 H81 N7 S2 1 20585 35661 10185 16990 48330 15352 12202 1 20865 14113 52868 15586 5455 8312 23092 9454 38309 15608 11095 8073 9292 9262 21342 22689 26619 1 39462 19759 16801 18848 17530 9464 17185 39783 33932 29554 C27 H43 N S 29272 58114 52502 56090 46636 28615 50411 27680 122154 47387 32736 1 37974 36681 38535 38072 53929 28664 39553 34668 1 38949 1 33100 31047 43826 40490 38848 30107 20293 37912 29716 32325 35643 33286 40217 39439 C14 H33 Cl N5 21560 1 32994 1 21372 31834 25206 21701 1 25268 1 35691 1 7623 28482 28481 8984 27248 29229 29203 1 29388 10760 17512 8306 1 1 21267 9945 1 11755 28378 28030 20314 22289 20054 25142 148.0522@1.1365335 14722 15696 24704 33687 1 23423 1 1 1 1 1 1 1 23170 1 1 1 1 1 1 1 1 1 12306 10932 1 1 1 1 1 1 1 1 1 1 1 1 409.2467@1.202013 1 1 144134 1 51473 1 1 22615 1 1 1 1 1 1 1 1 1 1 1 16664 1 191133 1 1 1 58583 1 1 1 1 19502 1 1 1 1 1 1 Oleoyl Ethanolamide 1 29603 34357 1 1 17666 34453 25237 40487 1 1 1 1 15085 19184 55469 21190 43868 22767 27664 20575 26535 1 23360 1 90691 1 1 13903 1 26110 22308 1 1 19169 25125 25708 128.0851@1.1555468 7221 1 3894 1 1 1 1 1 1 1 1 1 1 1 1 22081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3046 C5 H10 N7 98069 168317 147618 125089 181884 163886 171464 151182 148077 140074 186005 205401 191368 124701 141417 176692 142402 171302 120424 139454 180708 123123 122162 131152 191504 136651 140778 195776 152112 102237 153817 162832 151180 180642 183564 162990 147170 Hydnocarpic acid 261626 486730 465779 325690 491145 469282 482671 395696 1 343415 489308 519522 463825 345121 343517 409416 371631 465033 281704 399165 504045 326892 1 341680 546937 348380 337361 483607 387418 258222 402750 414373 377757 471594 458345 409152 403016 C17 H30 N4 119635 138915 107924 78312 48441 82582 96765 1 93630 82124 96658 90075 43061 66040 67042 55072 61905 42069 75601 37158 62945 130318 52578 103244 33555 1 26186 34353 72098 17691 59483 77114 90539 48340 70616 58790 48882 126.1041@1.1587281 5584 1 11768 1 1 1 1 1 1 1 1 1 1 5503 1 1 1 15999 1 1 12282 1 1 1 19177 1 1 1 1 1 1 1 1 1 1 1 1 463.4227@1.1705006 1 16604 13716 1 11089 10998 5719 1 21748 7839 1 1 5855 5071 1 1 8321 1 6758 1 1 1 10227 1 13133 9372 12497 4773 8475 1 1 4917 4417 1 1 7173 1 489.2208@1.2453767 24488 1 47530 1 1 1 15314 1 1 1 1 1 1 1 1 1 1 1 1880 1 1 1 1 1 1 8359 1 1 1 1489 1 1 1 1 1 1 1 C25 H49 N O3 S2 31766 59720 53262 33724 62548 53238 58271 38670 39106 33550 48464 56170 56225 40879 1 54532 41543 45297 22304 1 70583 36154 38351 49896 89431 32865 50103 51035 34903 31093 1 42355 26165 63115 53965 38551 42892 480.2707@1.1798166 1 1 3919 1 1 9422 1 1 1 1 1 1 4457 1 1 1 1 1 1 1 8653 1 1 1 1 1 1 5702 1 1 1 6876 1 1 1 1 1 220.1318@1.1785645 1 1 64901 1 1 60757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0836@1.179055 1 1 71810 1 1 1 1 1 1 1 49749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355.3412@1.1813363 1 1 35048 30625 24893 1 1 18848 1 1 18636 1 1 1 1 28076 10376 1 1 1 1 20940 1 21569 15056 1 1 1 11711 1 1 1 13592 1 14441 13696 1 210.0878@1.1768993 28607 33389 40530 1 1 50445 1 1 1 1 1 1 1 1 27986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.3495@1.1697543 1 1 4898 6055 1 1 1 1 1 6523 1 40089 1 6558 4187 1 1 1 1 1 1 5375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.1973@1.1801854 1 13274 14790 1 1 1 1 1 10859 1 11094 1 1 1 1 1 9521 1 1 1 1 1 1 12298 1 1 11019 11019 1 1 1 1 1 1 1 1 9477 C20 H38 O5 874655 1513365 416438 234952 1433503 657688 1475093 1272782 1398874 1133781 463114 448306 1591426 1000949 831267 1258536 293070 1385918 819818 1161660 1519631 1046302 64063 323578 323744 1136991 248828 1915463 1185207 280234 1297760 401080 1426533 1178404 1722180 1227782 966834 119.0846@1.1802067 1 1 6322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5539 1 1 1 1 1 5501 1 5994 1 1 1 1 1 1 1 C20 H41 N O5 1.34E+07 2.23E+07 2.19E+07 1.55E+07 2.19E+07 2.55E+07 2.19E+07 1.90E+07 1.99E+07 1.76E+07 2.26E+07 2.33E+07 2.28E+07 1.61E+07 1.63E+07 1.98E+07 1.75E+07 2.14E+07 1.39E+07 1.83E+07 2.14E+07 1.65E+07 1.49E+07 1.72E+07 2.17E+07 1.77E+07 1.62E+07 2.49E+07 1.85E+07 1.75E+07 1.92E+07 2.05E+07 1.94E+07 2.15E+07 2.30E+07 1.91E+07 1.83E+07 278.1737@1.1811874 1 41716 46617 1 1 72278 23551 1 1 1 25006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18072 1 1 1 16440 14927 14305 1 1 88.0522@1.1818553 21630 1 28309 21082 44991 40801 35383 26504 1 24634 1 34582 87884 1 27969 36381 24356 29018 18319 25367 49234 35730 1 24076 1 27720 23195 73435 37545 27074 25184 26517 36765 32278 34930 27273 26695 399.2984@1.1686392 68773 125784 103850 1 1 1 1 1 1 94780 1 106762 102875 83310 1 1 99676 1 1 101187 6813 1 134200 85462 1 67241 15473 1 98239 1 118024 1 1 1 1 117447 1 C6 H14 O4 711458 1352351 1393337 882018 1383034 1657214 1356240 1157424 1249712 1025811 1461378 1496112 1485451 930924 944525 1206490 1022985 1345339 800517 1058068 1348421 947074 901769 1023811 1391891 1072551 958943 1669704 1079486 1209070 1165652 1301230 1262483 1379896 1539484 1208308 1122955 340.2612@1.1784611 1 1 1127134 725321 1 1410867 1 1 1 1 1149366 1200191 44153 1 1 8557 810172 17046 1 40398 1 1 696749 793207 1075475 1 746645 1 21247 1 1 1014692 7614 1 1 1 1 Melengestrol acetate 22318 21690 18307 11501 13110 22979 17652 1 1 17697 14343 19339 12463 1 1 13572 10167 1 12709 11343 19345 1 10629 1 9309 1 7536 18577 11586 8100 11338 15678 12616 16600 17902 1 1 C23 H49 N S2 1 15503 16875 1 1 37372 25548 30703 39198 33367 41839 38762 38537 32831 36386 44624 42718 41681 32140 48921 56616 37205 49515 47385 63428 40090 39633 97333 71005 1 70967 85715 96335 101021 111106 79741 84762 C20 H23 Cl N2 O2 47590 57333 35348 1 42147 11960 39315 32840 42213 43532 46952 1 53448 44742 35396 35882 43143 32394 16844 36714 36319 42538 33431 49221 33869 27487 35568 27805 39893 1 35931 25158 9573 12885 1 36322 27165 562.2062@1.1854942 1 22515 3907 1 1 1 1 1 7337 1 1 10366 1 1 1 1 1 1 1 1 33069 1 1 40753 1 1 1 1 1 1 3320 7765 1 1 1 1 1 C22 H41 N O9 72524 55162 52322 42570 54333 51512 55912 40187 55439 53830 72855 57209 71925 51821 35968 56261 44377 35947 41266 38597 41640 38850 66688 57614 30375 41706 53768 29784 50584 36730 52545 45019 39467 27618 76367 47523 29921 C41 H64 Cl N2 1 9170 13597 1 1 12905 7868 1 1 11757 1 1 7744 1 6096 19290 7012 1 1 10850 1 7153 9849 1 10629 1 6186 8544 1 1 1 9108 4666 1 1 1 9129 C18 H42 N3 S2 1 196529 158715 22072 1 13495 1 1 142911 134214 1 155106 1 15399 1 1 1 1 1 118946 126669 1 118319 111005 1 1 1 134347 1 119760 115917 104614 133344 107737 145532 1 1 C23 H47 N8 10173 1 20235 33340 12868 15850 1 1 27134 11872 9518 6473 11253 8934 1 9251 8072 4866 8050 10549 6428 1 11090 9500 14701 43334 21118 7829 11439 11155 8316 4834 4016 7768 7119 12495 7920 C30 H66 Cl N5 O3 4563 13880 21080 27299 25032 1 15820 27657 45209 24861 13920 1 14259 1 16695 28410 15482 1 1 1 1 16524 22923 1 25658 1 13644 12758 18332 27859 28822 14091 1 12731 1 35061 27146 3-methoxy Prostaglandin F1? 154494 1 97051 35777 182509 1 1 1 18266 20980 154028 1 1 56325 86358 107724 78657 1 101285 43536 1 122500 1 1 133240 1 1 1 1 1 28598 1 1 62999 1 1 120603 C22 H39 N O3 60921 88650 255098 195591 305578 142000 169012 1 374279 1 1 222731 1 111682 36936 224125 119544 318729 135395 230148 185179 179550 205172 1 229288 909619 256916 2971 82695 87835 109520 104982 123201 58738 130449 169459 154941 Linoleoyl Ethanolamide 89433 189620 197345 329090 246621 134978 204045 178562 334576 211793 166743 198691 182825 120921 115174 213559 161933 293863 146126 180982 112530 151105 229420 214701 163403 506062 234157 175021 1 114893 215148 148701 149098 103089 199941 205734 154080 408.2462@1.1801564 136761 1 31514 17539 82521 1 40435 25592 1 1 117682 1 5986 16181 36906 33965 35687 25406 78382 23586 1 1 17122 1 79743 28672 15943 1 16188 1 15927 1 1 13002 1 21909 35965 345.261@1.187307 68833 39541 26480 7484 1 22867 29989 30632 1 33167 31180 31599 1 23126 1 29836 25906 33496 1 30061 25267 34388 1 59628 1 50801 1 1 1 21372 1 1 1 21227 6124 1 21014 341.3308@1.1921322 1 1 11430 10066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16320 1 1 1 1 5329 1 1 1 1 1 1 C15 H37 N4 O S2 1 39850 38032 24899 1 37970 26925 33752 1 22155 1 32926 28841 24937 25105 33651 1 19931 23069 20680 1 21521 22342 19224 1 1 17314 1 24518 1 23104 29654 25907 18809 26289 28249 24726 565.4683@1.1894794 10199 5218 9603 12425 1 1 6012 17961 10614 1 1 10225 9728 1 1 11458 1 10395 11424 1 6366 4552 12469 10170 1 23091 7052 6526 1 13174 13589 4823 4066 1 10618 10186 9842 C9 H21 Cl N5 1 188211 217405 1 1 238676 88175 1 1 1 77812 76017 1 21593 1 45729 1 1 1 15237 55841 1 1 71435 1 1 18273 1 19001 1 51449 1 35132 1 25847 1 17723 3-Methyl-2-butenoic acid 15744 57987 71604 1 15524 77072 29907 1 1 1 31062 44042 27233 1 17313 17021 1 1 1 1 22249 21866 1 1 1 13439 1 1 1 1 15814 16245 15718 14255 15991 1 1 404.349@1.1932949 1 1 59144 88904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C17 H31 N4 O S 1 1 25155 1 1 23015 21219 16104 16773 21344 29103 25643 20810 15859 1 28897 17456 18303 15682 1 12233 22442 25927 19046 12857 25263 1 16479 16853 26315 21467 26368 27132 15177 22852 18752 16232 C26 H58 Cl N6 O2 17706 13835 53132 34859 1 34907 1 1 82060 20337 26982 16860 1 1 1 31785 18999 1 19312 1 1 22427 21858 16999 19452 25614 32601 1 17792 1 20514 10389 1 12353 18634 19694 10395 510.1718@1.2119285 1 1 17707 1 1 1 1 9498 1 1 1 1 1 1619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C22 H41 N O 619958 1248738 1029590 2120781 1138220 693283 1 1086022 1556816 1184736 991968 1187906 856544 594140 485030 1308274 1054082 2691703 1050540 918774 729685 930332 1073936 1 908241 3655089 1147775 1284651 549392 752315 991666 1 684436 440466 1183433 1357146 1143984 C15 H32 O S2 1 159831 242541 68355 1 211940 112632 77419 91199 135924 160905 151293 95979 70862 1 131881 56592 118115 59939 162171 70284 1 88923 102869 1 66690 1 93017 122906 117192 95345 1 91741 90031 109439 1 71258 361.2467@1.2039876 108853 1 42693 1 101090 7437 1 75612 1 1 17425 1 1 1 1 23884 6842 32640 109227 1 1 24381 1 7477 1 52021 1 1 1 20793 1 1 5678 1 15243 27785 1 C22 H47 N6 O 1 22897 13747 32105 10973 7513 28748 12826 18539 16975 12596 1 10993 9837 13963 11131 16095 1 1 8653 5989 16196 1 1 8493 27737 1 11901 9995 1 8889 6392 8596 11742 4954 1 1 C30 H55 N4 O S 1 1 15949 17088 32543 11704 24953 26150 25514 12816 18978 12049 31476 17097 26752 9914 1 27971 20541 26843 5960 7237 10015 7992 15980 9428 16043 1 6036 9087 8033 1 1 9280 8098 12702 5845 C20 H41 N8 151042 878669 672957 1105472 865220 564945 617349 547839 642114 618998 525863 819248 902107 952302 506100 651480 696942 724917 755828 418918 949464 456818 1008056 562146 917530 505344 640237 517473 399981 520493 470067 505224 637662 611702 586808 700569 428589 C36 H71 N S4 23157 6696 7362 33542 23482 1 5545 1 28418 1 13465 1 5814 10323 1 1 9708 1 1 11602 2400 1 1 7542 6655 1 19463 1 1 1 10023 1 1 9108 8438 5443 3536 390.3336@1.2001715 1 1 125428 1 1 42105 1 1 1 7820 86442 1 1 311986 5930 1 1 1 1 138816 1 9582 1 1 10985 60794 1 1 1 1 1 1 1 1 1 1 1 507.4232@1.1650473 1 1 6070 1 1 1 1 1 6040 1 1 1 1 1 1 1 10409 13412 1 1 1 1 3488 1 1 1 7508 1 1 1 1 1 1 1 1 1 1 C13 H33 N10 O2 1 19579 22691 27079 29678 23490 21170 1 19284 16734 23733 28504 21743 1 19008 1 18280 23518 1 16577 20099 18131 1 18876 25898 31705 23749 19920 16358 19249 22682 16109 15675 18758 21137 1 20675 C31 H60 Cl N6 1 7248 13757 14424 1 1 10997 16016 1 1 6786 1 10186 7878 9207 24153 11805 1 18402 12926 10153 7926 11986 15796 15033 27120 11102 1 11606 19669 16305 1 1 8219 13771 1 1 C19 H25 N6 1 23715 14229 1 1 16958 12147 13684 18828 15862 22759 13779 18028 12735 1 18144 1 18952 1 1 13477 1 1 1 9578 17020 1 20138 8267 10095 18781 1 1 1 16092 13129 1 444.1816@1.2592953 1 1 11252 1 1 1 1 1 1 1 1 74423 1 1 1 1 1 1 1 1 1 16260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.2045@1.1533791 1 29399 72364 41209 1 1 1 78962 1 1 1 1 72164 1 1 33629 1 1 1 1 1 1 1 1 1 1 1 1 19317 1 1 1 1 1 1 56372 43676 208.1492@1.2404943 1 1 16559 1 1 43188 1 1 1 1 1 19871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12418 1 13714 1 1 1 11041 1 279.253@1.1993266 1 1 18666 1 1 1 1 14216 14344 1 15488 14832 11391 1 1 1 1 1 9215 1 1 1 1 1 7963 11302 1 1 7333 1 1 1 1 1 1 12441 1 Hecogenin 47650 1 29285 17506 32700 39736 39749 13917 29686 21795 31495 29719 42775 30814 23732 13921 20325 21482 37980 36215 30599 1 24641 29112 13126 1 1 27102 27299 3204 27579 1 21492 18948 8905 18115 24971 3-ketosphingosine 1 1 38672 30038 9763 1 18835 12337 29589 32336 22082 6502 12617 27241 6985 1 1 1 1 1 1 16641 44416 12719 1 31010 32761 9999 1 1 39496 77948 6934 7212 1 25508 13274 Rugosal A 37422 46664 80694 39043 1 67740 1 39306 48605 46068 69276 51509 51339 61803 51189 41790 42729 35247 47744 58885 1 41500 43097 53475 31280 70912 74841 45738 41550 47277 34362 34474 32713 1 26742 40855 48867 C31 H54 Cl N6 O 1 1 101584 16432 1 1 38783 22562 1 7571 46042 1 45311 12711 15764 17362 1 16474 27802 1 1 24584 50920 1 13632 1 31629 1 12960 6288 17169 1 1 6939 1 21377 18017 411.2825@1.2215742 1 1 27297 1 1 11597 1 10387 1 1 13449 18777 17405 19438 1 1 1 14939 1 1 20807 1 16898 1 15580 1 1 1 1 18745 42580 14521 9257 1 14255 23795 14704 290.1519@1.204 1 1 9912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C9 H21 N10 O2 38907 37223 61988 25361 35059 32917 21342 18152 30089 24366 23933 36050 22453 22698 1 18878 19896 26353 22593 28277 30040 25475 23671 28928 20875 39846 32084 26177 29065 16674 36571 15518 22932 1 16276 29150 16360 C16 H28 N7 O2 133255 564328 469904 316622 1 373951 442260 301250 386825 410804 63422 388675 1 274888 1 399061 336778 397285 1 387247 266210 467893 326336 67853 45018 392963 1 323466 1 376449 321518 346778 370330 307921 370061 391778 1 C21 H35 N2 O3 880860 4640 77422 65195 217980 1 165221 84666 1 1 47855 9577 70994 22777 449660 56539 23170 129938 51707 33390 1 118919 21029 38386 100646 167643 253549 1 19151 40124 1 1 37223 17322 1 98484 172522 C26 H55 N O7 18199 26887 53662 53080 28337 34125 25608 17494 43994 35832 41682 22591 35124 25768 21514 32554 30309 25632 26289 32337 28531 25711 37454 29073 22532 34610 52612 23442 23800 27000 33066 21938 20102 20732 32184 36152 17205 C16 H45 N11 O S 17702 36319 35928 986496 47462 27307 40679 30704 34165 38632 33408 37565 47131 23052 31233 38449 19739 40938 24894 27833 28518 27359 29816 29765 45732 1 40692 26300 23547 46392 24564 29809 35701 39960 40496 37927 26339 289.2225@1.2108583 15669 1 45383 3656 1 1 1 1 1 5580 1 11352 11065 1 1 1 1 1 1 6433 1 20882 1 1 1 1 1 3625 15095 1 1 1 1 1 1 1 1 282.1801@1.2060285 1 32184 47485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C26 H49 N O3 S2 35098 32488 29307 27545 33587 20897 38059 21914 26485 37160 28840 27066 31677 34364 31126 19792 27756 20752 21888 26255 23119 26035 26603 32360 21836 24917 28058 15845 18911 24303 24857 30403 21876 14871 21643 29277 18699 322.1416@1.206893 1 1 28690 1 1 1 1 1 40433 21363 1 32453 1 1 1 1 1 1 1 11169 12709 1 1 13805 1 1 1 1 1 1 6642 17693 10038 1 1 1 1 407.3015@1.1563243 1 1 15545 1 1 1 1 1 35168 1 1 1 1 1 1 1 1 1 1 1 1 1 88445 27122 1 1 1 52314 1 1 1 35646 1 1 27238 1 1 459.2559@1.2147347 1 1 15694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36826 C19 H36 N7 128273 374078 271433 566330 272601 206004 221717 196301 236373 1 202651 246085 282496 331467 208306 198327 285503 228230 248817 182465 275428 207680 78425 221130 251011 226270 272042 151226 162124 142160 157528 208557 219120 191703 154015 273680 184526 C16 H35 N O4 108058 108164 78285 77568 72492 89815 91972 1 104455 69846 1 74767 119796 79879 1 1 1 76224 72438 86262 1 85974 1 78400 71648 1 79945 1 58216 108794 61150 37979 87262 56363 64587 55473 1 547.3754@1.1325403 35621 1 11346 1 26483 1 33820 1 1 1 1 1 1 1 1 1 1 33909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47426 22855 324.1939@1.2221473 263293 1 31030 21174 63523 1 60728 95224 1 1 1 1 1 1 91132 1 1 48946 58831 1 1 43170 1 1 1 51666 49397 1 1 1 1 1 1 19182 1 27750 38996 875.7926@1.1946062 8791 1 19962 1 27428 1 1 1 23336 1 1 6785 1 1 1 1 1 1 1 1 3752 1 1 10630 1 1 1 1 1 262473 1 1 1 1 1 1 1 164.0848@1.196495 1 16876 37153 1 1 25082 25625 1 1 1 1 21459 28555 4431 1 1 1 1 1 1 1 12864 1 1 1 1 1 1 13305 1 1 1 1 1 9127 1 1 Sugetriol 67757 45740 89606 1 37632 1 1 1 23234 1 1 76151 65226 31709 60290 21302 1 37944 26773 28301 35091 54520 23971 33002 1 48808 57388 1 1 1 17141 22780 18417 16893 1 1 74983 406.1992@1.2244563 1 7657 64697 1 1 1 1 1 1 1 1 1 47211 17414 1 1 35415 1 12815 1 1 125582 1 1 1 1 1 5878 22111 13423 7759 1 3306 11570 1 1 1 581.4602@1.1719757 1 1 5718 7019 1 1 1 17391 1 1 2932 1 1 4014 1 4634 1 7079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25647 1 1 3660 226.1205@1.2063861 68675 48376 178584 1 1 49755 88556 1 1 1 1 88347 61871 1 125663 1 1 41733 323824 448034 41799 71396 1 1 250756 1 24699 165435 319655 1 1 1 1 1 25821 1 1 200.1052@1.2084229 1 128797 457004 1 1 279906 236519 1 1 1 164672 161035 188108 58444 1 125961 1 53919 1 1 84502 150063 1 120592 1 1 160242 1 1 1 60884 98662 1 1 95623 1 74686 C20 H41 N4 O2 104115 259578 401879 1 400471 234049 434612 346780 645031 343053 255407 380622 237581 161770 82787 479985 244382 896155 283485 334278 252699 308844 277840 455676 351506 1655525 391325 355835 196793 260077 210659 186584 211029 109095 300436 318587 316002 309.299@1.2226372 1 6243 7755 10783 1 6916 1 1 8197 1 1 1 1 3876 1 1 1 1 1 8184 1 1 1 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1 1 1 22340 23467 1 1 577.3968@1.212 1 1 8127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C32 H63 N O S2 1 1 6020 1 1 4529 12585 27115 10251 17507 7281 21515 20488 11481 7224 15759 1 9886 8419 1 6018 1 24209 7124 12897 12498 16172 4232 5917 35081 31209 5019 1 5653 18007 8346 1 313.2969@1.2153504 1 9935 7431 8668 1 1 1 1 5396 1 1 1 1 1 1 1 1 1 1 2161 1 1 1 1 1 1 1 1 1 1 1 2266 1 1 1 1 1 C15 H29 N O2 67063 127962 205855 38528 48988 174144 29097 1 166417 56307 82243 115220 51527 36302 18337 23891 33451 27333 26466 31188 128220 19688 88162 81360 30187 58624 48106 83473 38344 39085 194645 125229 85839 19637 43206 47829 29020 C13 H14 N7 35092 1 35839 16979 24284 1 1 25099 19453 27772 1 26037 24283 22223 1 20424 26517 1 33752 26548 24013 25849 13771 22267 25306 24816 32389 18818 21877 16178 20339 18466 1 1 1 1 23511 C35 H66 N2 O2 4122 21826 46812 32110 18602 22794 12641 11096 28226 12354 15654 20569 12522 12282 1 16424 12711 20181 8813 14254 17649 17463 22570 18692 10100 48616 9842 23680 8099 20307 36539 8036 20234 6261 17668 27770 11731 C20 H37 N O 60552 106819 76205 171919 123910 80504 172815 146753 1 136016 111080 124071 86083 82870 82754 152414 128839 242282 81682 112740 70103 101891 143826 115461 1 1 129183 142768 68381 1 110464 91212 91468 60217 1 147627 89877 586.5043@1.2151711 1 1 6826 1 1 1 1 1 1 1 1 4148 1 1 1 1 1 2646 1 3401 2520 1 1 1 1 6265 1 1 1 3374 6832 1 1 1 2917 4157 1 473.2995@1.2136933 1 1 19909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12189 1 1 1 1 1 1 1 1 1 1 1 15442 1 10971 1 1 C30 H43 N2 O2 7346 1 23445 20233 1 29980 26064 1 27767 20604 27064 25813 29706 23909 48016 21798 25571 36139 22011 17939 33260 1 1 1 35097 1 14714 35909 29181 26901 19086 21880 1 68961 31159 29082 71495 623.3924@1.1550753 8211 1 4296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1259@1.210704 80282 1 23903 1 38522 13398 82243 49781 1 1 1 7383 25453 34319 136372 36908 40583 52534 41150 1 1 42920 1 1 1 54724 52857 1 1 1 9011 1 1 1 1 32365 53128 C16 H31 N4 O 1 1 85969 147715 1 1 74487 85810 1 102719 76583 71641 71016 56746 44526 58711 49968 78522 1 82630 46206 1 102851 56290 1 88879 64459 90760 40492 41565 105524 61347 54783 33741 1 1 30204 C27 H41 N2 S + 1.2167214 79058 128823 100666 131296 99539 70961 99698 105400 86974 140421 106026 130481 169868 102344 88192 89406 78913 107684 117010 104406 99818 121201 135725 83250 104827 125638 86283 61742 68167 108802 87155 94341 88674 1 150875 120115 1 C20 H39 N4 O2 69209 126128 221903 1 231782 132095 188301 201527 392537 212648 193708 239445 54157 79101 69880 239948 109044 453381 124669 229774 123784 206570 154261 243310 104812 1111655 311873 1 84526 62515 1 117599 178883 80386 193469 161427 192183 471.3534@1.2199404 1 1 9990 11207 1 1 15922 1 19232 1 1 1 6379 1 1 1 1 1 5849 1 1 1 1 1 1 1 1 1 1 7085 1 1 1 1 1 1 1 269.2348@1.2143781 1 1 16793 1 17059 11562 12215 5934 15456 10540 1 1 1 1 1 1 11201 8779 8705 1 1 1 14619 11251 1 14323 13849 1 1 12266 13761 15006 1 1 10478 10067 1 423.3222@1.2172904 1 1 20937 56752 16022 15536 18180 1 1 1 19769 19333 17684 1 14010 1 11634 28687 1 13124 1 1 1 15900 13740 24723 1 17519 1 1 1 16524 1 1 1 1 1 427.2575@1.1685791 1 1 21692 1 1 1 1 1 1 1 9367 1 1 1 1 6955 1 1 1 1 1 48078 1 1 1 1 1 1 1 1 1 1 1 8032 1 5947 20396 493.3242@1.217 1 1 8627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.2035@1.1304699 1 29969 26539 1 1 1 1 22824 1 34745 1 59087 1 1 1 1 1 1 84257 1 80998 1 1 73005 1 1 157339 1 66546 1 1 65729 25173 53721 36866 1 1 N,N-dimethylsphing-4-enine 58141 61291 87663 24727 70457 43033 84085 41570 41726 33303 34117 41481 44243 31777 27424 36276 39991 36815 36962 39555 39477 26660 26384 65269 32241 42346 43472 32689 44014 16595 32711 26792 20293 30201 35742 36269 25323 106.064@1.2185737 1 116931 111956 1 1 75659 1 1 1 49140 72509 1 1 24842 1 1 1 1 58577 1 1 1 1 70565 1 56426 1 1 88734 100062 1 1 70230 1 1 1 1 C34 H54 Cl 1 14441 10637 1 1 7854 13429 9153 16030 8869 10708 12289 17628 12045 1 1 5028 1 14783 1 1 10927 13383 1 14069 6908 21615 11779 1 1 8738 11192 9715 10681 16014 12913 1 N-oleoyl ethanolamine + 1.2216221 115179 57651 97361 34381 92213 49682 141136 79440 195970 43031 1 74417 93151 53121 55064 15633 52396 12463 54092 41505 87452 61026 37731 94966 168533 300497 66112 53212 98005 100828 52682 64355 91031 55378 246778 60706 34505 C8 H18 O3 108869 432760 293425 111128 94878 225632 166018 71333 1 116841 193581 259646 172496 185314 66928 119366 135007 123055 112074 110146 168012 135697 96329 147068 105973 101875 145214 117269 124606 104786 125017 132526 104651 38903 129337 105004 27631 302.2092@1.2237694 1 167204 197653 1 1 243440 1 178988 1 1 1 216271 1 109629 1 1 102272 207931 1 1 134927 1 1 1 168177 179545 143255 202013 140098 185322 136450 1 172843 173962 161658 141517 1 100.0887@1.220436 1 13354 11513 1 1 1 1 1 1 1 1 1 1 5847 1 1 1 1 1 1 12693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C15 H29 N8 O 1 38931 51412 34040 68805 1 1 54963 1 177091 54246 53028 80516 1 30160 170783 36155 70581 5655 201938 42589 62282 41324 167814 35854 1 1 42284 1 27293 29702 206526 54654 37351 46205 47023 1 C25 H49 N5 S2 1 17804 13550 112117 1 11699 25396 15660 1 24741 21151 22515 8207 28746 15123 22519 15302 13017 20264 13898 24848 1 28312 22032 18527 18024 1 15679 1 13982 18850 1 16948 15740 21138 21567 1 C18 H38 N6 O4 1 30915 38522 27816 44393 34559 37495 31172 31825 24425 13969 41910 46591 27930 116946 29116 22839 42767 25837 24908 49259 29027 25163 31064 47317 1 29011 41076 28114 12772 26585 30052 44496 14708 16018 35485 154617 267.2194@1.2366378 104913 1 36034 1 24803 1 1 33749 38087 1 1 1 31691 1 1 21143 14244 1 11090 1 45087 27755 8655 23160 1 1 1 1 15323 43993 1 1 1 1 1 1 1 173.0475@1.2278621 1 1 12336 13045 1 1 7240 1 1 11151 40459 1 24240 27347 1 16801 20527 1 1 1 8127 18920 15212 9531 14341 1 11918 1 18846 1 14132 22646 15972 29611 8597 9612 1 208.1103@1.2179431 1 30354 41699 27478 1 1 1 1 1 1 1 32485 1 1 21488 1 1 1 1 1 38620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38870 400.3314@1.2058893 10350 1 12881 1 1 1 1 1 1 1 1 1 1 1 313367 7521 1 1 1 1 1 1 7566 1 1 1 1 1 75255 1 2463 1 1 1 1 1 1 C12 H15 N5 O8 S 36248 17599 16901 21282 1 11246 18648 10015 16306 16453 15784 17518 19242 18644 17098 12669 18410 14634 11139 13177 20216 19462 16611 15863 14704 1 29251 13935 1 16681 17468 12437 1 1 1 1 1 389.29@1.2233632 1 1 39452 1 1 47673 1 1 91057 1 1 1 1 1 1 1 25080 1 1 1 1 1 1 1 24696 1 1 54488 1 7824 1 37603 1 18420 1 1 1 261.1589@1.2103847 22478 1 27127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C9 H23 Cl N7 O 48533 1 58549 73334 1 1 50542 1 1 27205 1 223620 241577 34381 106389 1 1 29505 1 1 117578 120352 45813 71507 1 62442 1 1 59448 47449 1 118886 44105 30285 1 1 88441 C22 H45 N O6 1048049 3984381 5337282 3787163 6497400 5407947 4958047 5244768 4228174 3169706 5682474 6327874 6999637 4412204 3775150 4509166 3992196 7113861 3346934 3089571 8288694 3209219 3227208 3629569 7360478 3990423 2959467 6215123 3390544 5581154 4005441 4123682 5765733 5617353 7047266 5460962 4395958 C28 H45 N2 O 17556 48836 43300 31840 1 40524 1 58614 8308 6591 1 7524 28978 4074 34760 8512 1 53257 44416 38084 1 6943 5919 49111 25636 67427 21736 23992 25825 1 6235 24441 13084 1 48594 108497 86049 126.1042@1.2204045 1 43075 106946 1 1 1 1 1 1 1 25741 37293 32617 36278 1 47294 1 1 1 1 1 27697 1 1 37460 1 1 1 27341 1 1 25913 1 1 1 1 1 C25 H47 N O6 45879 63712 84599 81968 79264 50413 81854 45835 188233 75118 74346 45192 1 56629 59588 49464 62218 45003 49186 43446 1 1 1 42262 45831 58257 51854 43937 41595 63480 58868 39913 46335 37552 40949 62361 52877 C23 H42 N7 O 262707 381745 278811 253434 450607 240194 300890 142451 267189 176736 319121 109380 332647 298113 202549 206404 245290 232180 231887 281480 292877 199325 199993 329759 235030 148753 336743 237599 246042 333079 198958 164271 56921 304583 209701 199378 292685 C32 H62 N5 O 1 1 9849 8540 4025 2913 5183 4401 9649 3790 5070 6129 4301 3559 1 4745 4150 7900 1 4320 4471 1 3955 5336 3423 19072 1 4492 1 3800 5147 1 3752 1 1 7918 3148 449.3712@1.2098972 1 1 135831 37371 1 1 1 1 1 1 1 93368 1 1 1 91271 1 1 1 1 1 1 25307 1 1 76063 1 1 1 1 1 1 60949 1 1 1 1 21-Hydroxy-5?-pregnane-3,11,20-trione 16013 132305 90746 116515 1 113995 1 36147 181939 213003 168074 122280 143005 133536 24556 97538 85634 102609 147513 151794 120711 1 101474 127098 43280 113788 139569 187323 62666 1 162848 120292 136250 58285 166602 108676 52461 C27 H55 N8 O 8012 17646 17914 23770 14374 16717 8312 1 28508 6249 8410 5995 7200 7676 1 7444 8383 4274 7815 5024 1 7468 12540 7064 13205 13858 17612 7722 10187 13195 7839 1 1 4634 7176 7760 1 C34 H58 Cl O2 7619 15230 15526 26065 38073 1 21170 9602 34555 13109 1 19613 28422 25098 7175 19520 17286 1 34942 22270 28259 27327 37123 12041 18076 1 17048 1 1 21239 21013 18456 1 14406 13592 17050 1 17,20-dimethyl Prostaglandin F1? 1 1 41658 28899 71160 28567 36970 37239 1 37715 35292 35287 36957 26126 19824 1 26191 1 1 28869 39977 1 1 1 45840 1 1 34537 1 28565 1 27702 28829 1 38503 31480 30358 3-ketosphinganine 73608 77470 102220 38582 97936 45631 108626 56017 45297 41331 42693 67660 78553 39836 43345 40371 43567 42946 40928 42874 59759 48234 34643 76554 39487 56748 62413 49387 74693 20752 49286 43214 33143 52829 40656 44371 37140 C13 H29 N4 O 22181 1813564 21322 38993 28791 19226 22465 15596 26076 31412 18468 19578 22383 21264 16651 20476 25423 17553 30138 1 16752 21734 25078 20004 21492 20437 28456 10630 16814 13646 15565 1 15741 15901 13761 31722 16077 253.2045@1.2440645 1 40696 109817 46548 74294 54334 69768 54902 86211 1 1 1 43523 60529 1 70088 1 1 1 1 1 32452 1 1 1 59798 1 64751 1 40358 106570 1 31194 1 1 1 1 285.2407@1.240508 1 34338 38268 1 1 25186 1 1 25275 1 30911 1 1 13724 1 1 1 1 1 1 21051 11826 1 13106 1 1 1 1 1 9143 46997 20327 15573 1 1 1 1 240.1727@1.2317706 55191 1 42519 1 1 1 1 1 1 1 48650 160092 158107 1 69632 1 1 1 1 1 53650 133325 1 47034 1 1 62996 1 43416 1 1 60281 1 1 1 1 68900 404.314@1.2425439 51764 72017 58762 5825 13910 45503 1 1 7017 1 1 1 7106 6113 1 1 35244 1 1 1 6228 1 1 46109 1 6604 57387 1 1 49579 6703 1 32294 1 5006 36277 52960 112.0906@1.1797882 1 1 21098 1 1 1 1 1 1 1 1 13777 1 1 1 1 1 1 1 1 76499 1 1 1 1 38191 1 1 1 1 1 1 1 1 1 1 1 C31 H43 N2 O2 S 16627 19422 29054 26679 27720 22942 23395 18819 26340 31461 28917 31346 35420 30793 22619 31486 24676 1 20140 20000 26178 31268 44574 31877 19017 17472 26497 15045 23829 23345 34544 24786 17650 18584 46333 22960 15223 435.248@1.274153 1 1 14902 1 1 1 1 1 1 1 1 18148 1 1 1 1 1 26885 1 1 1 1 1 1 1 1 1 1 12800 1 1 10295 1 28752 1 1 22813 443.3221@1.2006217 1 28387 8167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14201 1 1 1 1 1 1 C10 H20 N5 201957 170960 669856 1 43691 565409 353092 27165 1 1 1 1 68162 51959 38162 47673 50455 1 1 1 1 60321 77144 77795 1 1 49983 1 49722 27658 1 1 1 44081 50306 54133 42551 C13 H36 Cl N8 O2 95548 1 27599 47764 49454 1 42679 30776 1 1 23521 32970 47670 1 18607 21149 16876 11945 65913 13070 1 67712 1 10286 29694 62511 59217 1 1 1 1 14813 1 17844 11078 24404 30495 alpha-Ionone 55028 56968 159186 30822 1 100053 1 1 82764 59410 8832 81634 74794 29419 43161 45483 23436 101763 45788 48987 98168 1 58385 53177 22565 1 33805 69908 47125 52674 126210 106458 33855 21056 33612 1 55008 C14 H27 N O2 38811 71301 109179 1 55323 1 49268 1 1 1 76360 73145 69929 56711 1 43755 58755 1 1 1 1 56438 67539 1 1 115215 1 1 49458 44893 91150 104464 62333 48224 58131 1 51556 C18 H39 N S2 68688 60983 91699 43947 78725 111154 95358 77797 82348 45467 97494 97046 92534 40570 66852 80613 67679 84812 32352 76916 83655 52522 36259 62875 71092 50673 68180 92344 65015 89131 48633 91170 81984 83169 85308 48388 79058 C13 H25 N O2 + 1.2390875 815422 2595574 3635212 1151113 926086 3067982 626496 443614 3114558 1571207 2135310 2252689 1122783 1162071 371624 777270 985097 695923 579851 1076580 1 937948 1882349 1862706 899294 1240813 1073075 1 1102711 1256833 4183590 1 1 872682 1112951 1153764 875999 164.1558@1.2417554 3283 1 13246 1 4388 1 4604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6317 5253 1 1 1 1 1 1 1 1 1 3771 1 3994 1 C21 H39 N O S 49613 66068 58649 56657 1 51797 71746 51116 69318 56706 63690 1 57571 1 50988 43596 40755 51415 30748 49022 1 71517 53801 56829 55257 64890 56718 42264 35963 39798 32104 49573 43735 38849 45711 50365 46303 C15 H37 N4 O4 1 59752 29753 1 1 34959 29838 1 53559 1 49408 46036 55867 22712 1 21952 91827 20305 19784 18075 16584 37353 31999 23524 33251 1 1 13910 18803 37427 63471 1 23561 20045 21011 1 1 C25 H51 N8 O 12008 27513 24737 37024 15794 23705 1 8876 46423 15787 1 8167 12293 11068 7110 11577 11248 1 7738 1 6993 9193 13620 10256 20668 64733 25853 11907 16532 18220 11356 1 1 9399 9689 12967 10924 344.1985@1.2389364 1 1 21655 13897 1 1 1 1 1 26006 26063 1 18559 1 1 1 1 1 1 1 1 18961 1 1 1 1 1 1 1 1 57508 15168 1 1 1 1 1 222.1621@1.2303994 29494 1 30770 1 1 1 1 24739 20701 1 11337 1 1 20519 41376 1 1 1 42311 1 1 1 1 24475 1 31383 1 1 19534 1 1 32701 14523 1 1 1 46421 565.4556@1.2441993 7912 1 36219 38059 22143 26160 1 1 41450 1 1 1 23078 13315 6511 1 16261 1 1 1 20689 1 22834 27223 22256 1 1 1 1 1 11519 17049 7724 22349 17489 1 11954 C28 H53 N O S 37531 79766 123829 230253 76555 61325 52752 37223 67104 49489 62689 42934 59349 125684 34347 72290 75581 29624 98450 98711 79056 39178 149813 54546 67532 55865 84615 40670 34340 64244 48890 42760 34122 63670 42469 61475 39362 C23 H45 N S2 1 39399 54071 65261 56870 1 40208 63452 52835 57541 43108 53084 36749 1 36681 76605 27570 1 47615 63616 27582 63769 1 53195 57421 181294 33119 35933 22656 47866 48649 49302 39056 43113 59302 25983 38370 Cuscohygrine 1 19209 54425 72036 13963 17222 11497 12077 42382 16407 34384 1 1 1 1 1 17709 1 1 60488 1 7013 11863 15239 16004 22212 1 1 1 1 1 1 1 9297 8606 9732 1 Dihomo-?-linolenoyl-EA 50976 1 154769 172387 152292 87016 112544 97944 270989 122681 89425 117717 71233 57607 41042 116272 77633 227978 62202 109005 89729 94917 93978 130640 89325 536233 139113 117796 51690 62767 124864 88636 90528 47522 84415 99086 95414 C4 H8 N2 O4 S 444507 597203 400723 582039 1 219795 389706 1 430228 506476 1 1 403065 427014 373746 308251 434233 297652 293381 376788 385388 335343 298288 321831 413425 404202 327881 390553 325894 397690 421049 394064 1 255257 216232 170230 186516 386.3078@1.2525314 19519 1 36424 1 48531 1 1 1 1 1 1 23358 26202 24302 22270 1 1 1 1 1 1 1 1 1 1236 1 1 1 16425 1 1 1 11304 22209 1 17582 1 411.3185@1.2338243 1 20388 14276 1 1 1 1 1 1 1 1 1 24948 1 1 3201 1 23445 1 1 27944 1 1 1 1 1 1 1 1 1 1 1 1 13628 1 1 10590 518.4799@1.244916 1 4313 8354 1 1 1 4039 1 6781 3140 1 1 1 1 1 1 4476 1 1 5545 1 4918 1 1 1 1 1 1 1 1 3742 1946 2272 1 1 9659 1 122.1094@1.2325188 1 19387 21025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C21 H42 Cl N6 O4 19890 11735 15868 14641 1 13058 1 1 18796 16627 13069 15996 14554 15874 14458 13553 8538 10806 14099 12756 14598 20001 30467 15747 19450 14015 12698 1 12951 11001 20245 12295 11678 7994 21631 16332 21027 3-oxo-dodecanoic acid 74094 1 13295 13452 1 1 27824 36597 1 1 10960 1 1 4385 22541 13209 1 26552 16786 1 1 1 16546 1 6527 19139 23267 1 1 1 6035 1 1 1 3439 15164 16311 506.2203@1.1926104 1 1 4067 1 1 1 1 1 1 1 1 1 1 1 2638 2172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C18 H46 Cl N9 53407 1 120488 1 151930 68081 123273 60333 126214 150893 59553 136412 1 232656 66550 133797 169244 46132 154140 93532 174919 136560 318189 93874 135638 76697 150448 10761 69925 227633 86316 81196 56586 1 64513 103937 70362 372.2773@1.2497596 1 78343 26640 25750 29156 1 38355 1 20241 58576 1 1 1 51849 22867 1 1 1 1 22872 15210 1 1 10437 34090 1 63905 1 1 1 1 1 36835 1 1 55025 1 C28 H60 Cl N3 O4 7431 20892 30073 50989 30450 19321 1 1 35319 25972 24212 15450 39940 27095 24015 16056 15070 2702 29020 1 43702 16069 45537 40883 26434 20195 42537 17078 21679 20921 24276 12984 23831 30596 25647 1 16890 C7 H10 + 1.2492744 38714 45605 61121 32095 39508 53576 39238 1 47814 33172 55745 37108 31253 32623 25892 1 32920 32099 1 28568 40515 57584 34157 43637 1 52116 42913 37561 41371 30082 50703 54697 26723 21045 32760 1 40028 C18 H33 N O 49266 46031 27762 77183 51058 50905 69370 61771 43284 1 36717 26496 77071 1 50875 39798 35480 1 31717 35353 21653 36905 1 43081 33457 36813 37049 44602 1 23739 44336 45041 1 25192 43041 1 1 C12 H23 N O 187990 203858 180871 152347 162775 182189 177233 113950 177007 145639 157219 122400 162576 1 148390 131152 123477 149393 149537 160297 135598 178920 129916 146088 162394 177530 148412 158652 157336 153478 132321 128031 111363 147469 140469 139593 147127 523.227@1.2535368 1 1 3604 1 1 1 1 1 1 1 1 1 1 1 4255 1 1 1 1 1 1 7212 1 1 1 1 1 1 1 1 1 1 1 1 1 2226 1 C12 H23 N4 O 36719 1 67609 62926 66073 1 1 54467 126736 49262 48105 1 44739 76056 1 66041 1 77542 1 36036 1 56996 41544 42900 1 89621 49075 53986 1 34013 69053 47472 35213 1 39855 50419 35997 C42 H85 N4 S3 1 15979 3013 5523 23932 17272 1 1 13248 7613 10713 12081 10037 4712 4970 8883 1 10206 1 8642 11673 1 8691 9339 12185 1 1 14884 8371 13695 9853 11191 13737 1 10600 6559 11516 C15 H26 N4 O 1 21411 18566 1 1 36338 1 1 1 14072 16362 1 1 12423 1 14883 6797 1 1 14222 9312 1 10557 1 1 1 11412 1 1 7426 9231 13886 15421 1 11034 1 1 C20 H44 Cl N2 O S 1 3799 95260 166638 1 39944 91571 39279 85135 47119 101217 84071 114694 69560 35486 124536 80982 77017 43617 56394 47553 1 50709 77750 85097 1 123866 29435 60826 43900 125332 41136 22590 74014 54808 51652 86611 597.4784@1.2249612 17358 8717 11609 64953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8755 1 11686 1 1 1 1 1 1 1 1 1 1 C29 H55 Cl2 N3 1 50710 8034 1 1 1 1 1 14632 9929 7587 59050 1 23991 35296 9713 1 37707 6738 41408 6394 1 5625 5956 84896 7746 7605 11863 6603 13792 44142 44861 43385 44483 4289 8753 9985 C22 H45 N O3 149285 336488 482781 646292 318480 350950 408018 534053 476877 532953 374032 372405 220830 195601 283998 594128 351148 813147 429329 462428 372112 358175 365510 467257 490815 1048788 350369 380684 263404 687500 493597 253676 255591 305199 543796 750310 706950 C29 H49 N5 S2 15159 19163 20308 21164 1 15385 21509 12311 18371 1 23942 21477 25562 19256 20940 21103 15735 21462 14423 20475 15931 1 1 1 15911 13440 17353 10434 22347 17189 28087 19957 1 10773 24180 18511 14711 271.2496@1.2417877 1 1 8281 1 1 1 1 9557 1 1 1 1 1 1 1 1 1 6486 1 1 1 1 1 7072 1 1 28350 1 1 1 1 1 6272 7896 1 4162 1 C21 H35 N2 O2 426993 1 132162 1 291602 1 121734 80721 1 16320 142549 23693 154189 30745 203212 64950 71783 83818 64316 53874 20237 292667 19977 1 13992 197813 217299 1 42519 35516 19135 17158 1 30610 21649 39401 96581 270.147@1.2513431 1 1 58269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56240 100474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C12 H24 O S 1 1 29238 59005 38629 42878 48709 1 32536 38145 75304 1 44226 31351 24560 27522 24235 1 32101 19200 26174 37674 21380 30623 53627 55136 1 14024 31517 61166 36884 57817 25256 26204 32033 40370 40895 C15 H37 N4 O S2 + 1.2526774 64937 57908 53692 54248 1 49832 58347 35889 65305 50796 68543 1 58552 43257 53671 52460 34870 54800 55421 29935 1 56377 1 48141 54517 41552 60735 35958 44675 41483 69355 49219 36508 37329 53937 47659 30494 493.3592@1.2528877 1 1 22001 1 1 21137 1 9005 1 1 1 1 16341 1 1 1 1 1 1 1 1 1 1 1 1 13396 1 14609 1 17362 20408 1 1 1 1 1 9933 206.1553@1.2537255 169052 745892 1077541 1 282548 547315 391154 1 1 1 347550 460383 402486 209094 325359 1 234566 1 196360 1 305740 319966 1 220931 284925 1 259897 1 210020 1 218815 1 1 1 275730 1 1 C32 H67 Cl N3 O2 1 1 14588 23204 10774 1 10995 1 19536 1 8042 8574 7037 5587 1 13226 1 17012 6285 14857 6950 13050 4747 13755 11193 44008 9835 1 1 8603 10235 4481 1 3545 11581 9119 11800 C27 H51 N O7 63110 75780 106476 91769 82694 1 83032 83480 1 84909 69032 63133 64630 64869 69361 49209 71618 64241 55986 57590 59824 65172 66892 58529 59042 1 67961 57396 59395 68407 72852 55169 59009 56441 55121 66902 53513 C27 H55 N O4 S2 13483 29759 36405 24206 34614 24125 34808 18520 22315 23197 22869 35604 28556 28873 23192 21163 19834 21532 19870 21731 30324 23775 33172 36872 30862 19518 19570 22736 1 24367 27269 18721 17025 18979 37445 23652 18245 269.2003@1.2549338 1 18274 21314 28453 46058 30996 20955 24419 1 23728 18775 1 1 19860 1 1 17745 40841 1 1 1 35322 1 1 18360 41168 1 32091 15654 23403 1 1 14042 19534 18729 33578 1 C28 H46 Cl N7 O2 17290 24094 24165 23371 19719 18895 20417 18966 21300 25466 27044 16904 30724 31583 21645 23744 17039 22395 10637 16396 19637 22981 22539 22923 17608 14136 20326 13159 16639 17639 29720 20004 13336 13535 31205 21503 16646 C12 H23 N O2 326089 608688 973462 437106 334269 650827 299625 241609 679089 433670 16994 388327 395631 415507 204042 293082 380062 305102 199921 321339 579343 342307 525753 468882 356986 478512 360223 489272 390021 326006 954032 696615 391522 319691 334314 308042 324069 396.3306@1.262402 1 1 9081 1 9619 1 14390 6936 1 1 6581 1 1 1 1 7907 8738 7985 7946 8292 9890 6589 1 1 8045 20428 1 7508 1 8398 1 1 1 1 12560 1 1 C14 H37 N7 S2 428399 1 44923 28936 27719 24714 49402 1 71691 1 42254 26664 28857 53079 323511 34539 1 23694 255925 26742 39294 30893 42743 262355 48578 18022 349379 1 274360 25190 25680 21879 1 49744 1 1 15051 345.1815@1.2511612 1 23421 17980 1 1 1 29658 25025 1 23657 1 1 1 1 14787 1 21606 1 1 23361 12320 1 6615 1 20464 17384 1 1 8764 18043 1 1 1 16052 1 25428 1 504.4623@1.2483267 1 1 2928 1504 1 1 1 1 2375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C15 H29 N O3 34612 65343 62059 57969 61567 1 52909 36675 58597 49247 50539 40080 55858 59096 53602 56930 58607 74957 46136 67640 44886 42974 1 39845 86207 67304 48582 70849 27204 55901 50545 59358 27550 48194 37096 47264 1 699.5503@1.2550569 1 1 8095 13290 11339 1 1 1 11758 1 1 6946 11418 9510 6717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15841 1 1 1 1 1 1 1 Ruscopine 1 507475 461744 249558 385277 398767 453482 282049 311875 378053 529810 411485 483114 231512 359107 445033 315997 372649 278409 412493 320477 379464 28680 320463 56334 428907 305018 384607 280564 430481 339903 373285 367879 342648 464658 398779 300124 Propofol 1 13988 40564 19080 15049 29666 1 1 18664 9049 1 1 18176 11380 1 15512 10911 15502 1 12367 20787 15721 17400 13107 12093 17672 1 1 20261 1 21616 1 14433 8703 14749 1 16350 Dodecanedioic acid 72733 1 71496 1 42707 71365 1 36413 1 34690 117357 1 1 1 69139 62751 1 1 1 45505 25687 1 28999 1 36617 1 63383 31235 1 53925 1 62371 1 39417 37947 28022 53445 C21 H37 N2 O4 54021 129837 161297 1 110736 116972 150340 84133 114735 116687 123969 141504 163007 117617 86724 111375 103082 121849 83783 90183 141622 134226 90319 87205 142597 251208 128624 83083 98613 162639 111766 125050 96454 105451 182363 142947 106754 405.2861@1.2404951 1 1 27456 30307 1 1 1 34713 1 1 1 1 1 1 1 13054 1 1 1 1 1 1 1 1 52286 108108 1 26049 1 1 1 1 42587 1 1 1 1 188.1439@1.254 1 1 141812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C9 H18 O4 1 155089 141933 1 64658 225314 106736 1 21030 75359 63992 1 76499 36072 96264 47639 29928 55398 70548 13575 117030 98380 85844 53011 1 54490 1 64185 24788 72194 37288 75311 79001 42763 52129 102471 51555 Heptanoic acid 8515 45825 91122 17333 1 1 19971 1 7521 1 20644 1 26115 11006 1 9885 1 28310 11761 10749 21713 1 1 14682 12724 9034 13815 9372 27828 7615 10637 11475 1 1 14846 7074 12406 94.042@1.2525893 1 1 37413 1 1 51843 19297 1 1 1 1 24240 18151 1 28027 1 1 1 1 1 1 36551 1 19278 1 1 1 1 1 1 1 1 1 1 1 1 1 C29 H55 N O2 S 49318 81632 64332 152961 83605 57671 51973 38114 75841 42264 46531 48823 51863 86911 40657 49838 85157 41789 65206 48973 68070 41806 93496 51320 68737 63146 58326 42907 35845 69999 61982 44377 28372 43019 32285 47412 36915 264.1925@1.2566583 17181 19675 23906 1 1 1 1 1 1 1 1 1 10288 11803 1 8368 5652 1 1 1 1 1 1 7203 10287 12311 1 1 1 1 8842 1 1 12265 1 15341 1 C37 H57 N O3 S2 15309 18093 16079 15577 1 15728 16181 16489 17444 14116 16614 14434 15474 14268 15860 13135 14136 14167 14068 12088 11902 19513 16651 13939 15964 15176 16063 14496 16434 16653 17308 14867 11894 10553 11211 11040 13066 C25 H55 N14 11875 30846 25398 33271 25139 23619 14526 8860 40539 7823 15955 19853 18543 11596 12334 8820 14578 8315 16145 1 1 14955 17261 1 20858 17138 24477 11539 14479 12630 16368 1 1 12066 7207 21278 1 276.1598@1.2552048 1 1 28222 1 1 50106 53558 48491 1 20595 55162 18913 1 1 55438 36672 35024 49287 20885 40927 29492 26158 1 17315 21886 33365 1 25413 16601 38590 1 40790 39455 41162 21934 31801 48137 C41 H71 N S2 13519 15002 18030 25078 1 16483 13127 11513 23188 10380 12814 18536 13326 1 9792 1 10548 15668 11680 11858 16315 1 1 1 1 23502 13200 1 11806 17581 1 1 10561 1 8234 11245 12036 561.3547@1.161399 1 1 8320 16354 1 1 1 1 7744 1 1 1 1 1 1 1 1 1 12852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C30 H57 N O2 S 29393 57236 83267 165071 48702 37887 36869 23175 48030 27189 41883 28276 35363 44469 21206 27782 42250 23229 28722 52221 32418 21557 46436 30972 30665 43231 35445 25948 19172 27609 34887 22325 18595 26895 22444 26249 29604 C14 H27 N O3 44231 49155 59768 68593 72040 84024 112846 46334 63387 47862 1 1 53458 84256 78734 56160 112955 76024 44121 58084 92484 60296 54375 63396 107377 135265 61227 81721 64737 55150 65507 68158 37078 88173 64598 54260 74578 C23 H51 N6 O3 S 11502 1 16360 1 35001 6324 24662 8635 51038 23867 32892 40428 15679 35906 7223 1 20831 17412 39460 1 34507 34299 39392 39219 27754 12909 40687 1 1 13314 19575 25385 36391 8543 34776 20475 21867 681.5021@1.2466743 1 1 4619 13808 3101 1 1 1 4162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7413 1 1 1 1 1 1 1 1 1 1 1 785.6176@1.2558138 1 1 6609 1 1 1 1 1 6623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3527 1 1 1 1 1298 1 1 1 1 1 1 335.3181@1.2542113 1 1 46415 1 54472 1 1 1 68841 51856 1 1 1 1 1 1 1 133756 1 48709 1 40259 1 1 1 174620 44954 1 1 48008 1 1 1 20444 1 1 1 ?-Captrolactone 202523 276496 368641 42426 147343 539845 193788 80291 27147 1 242251 145776 47153 92147 214498 104702 32508 93065 87283 73899 120126 83983 71514 241778 90853 117552 29024 97432 25629 73651 80762 37309 29515 35089 74446 65603 107974 775.4669@1.2572751 20367 21772 18011 17610 20895 16404 18236 16084 17686 17683 19395 16170 18340 16157 17321 16449 15281 14821 16112 14773 16429 1 16320 17784 18768 1 16944 14431 17650 15522 17636 14782 15379 15115 14778 1 14524 523.4436@1.2572584 15099 28597 28997 42207 18754 46560 50187 1 55063 35893 15033 1 17043 13801 1 17745 28510 10303 13039 17867 11094 13172 19230 16737 23669 64062 29811 15120 21390 67691 44861 10737 9964 1 24346 20730 7730 374.269@1.2593112 1 39837 47951 1 1 1 1 1 1 1 5128 36782 44624 1 1 1 1 1 1 1 1 1 1 1 1 43371 1 1 1 4446 1 1 1 57331 1 1 1 C32 H57 S2 1 22032 23001 94213 56400 1 1 1 1 1 1 10530 45135 34735 1 22845 1 1 37896 1 49487 26408 1 26656 15218 1 1 1 1 20464 40702 28873 20699 26251 10467 29990 1 278.1763@1.2557268 1 1 76279 1 1 1 1 1 1 1 1 1 46021 52406 1 1 52557 1 1 1 47999 49795 1 1 1 1 1 1 1 1 1 1 1 1 1 48672 1 C27 H55 N8 O3 15432 1 32162 38922 34505 23252 1 17261 24057 19459 40405 18855 1 1 1 14214 17590 1 1 20900 1 30145 1 1 1 1 1 1 1 21172 19769 15519 1 1 1 1 1 322.2353@1.2554286 1 1 74463 47808 1 59223 1 1 1 1 1 66490 1 1 1 1 1 1 1 1 1 75078 43346 1 1 1 1 1 1 1 1 1 1 28986 1 1 1 C30 H65 Cl2 N5 O 1 8217 40894 25537 32209 22540 7133 1 19072 1 21866 10060 34767 25104 19144 27517 8861 1 8533 1 11367 1 4993 1 1 1 38322 4331 26245 43855 7304 10807 21869 6732 1 28905 1 128.0881@1.2534502 36516 1 12846 1 1 1 1 1 1 1 1 15639 1 3941 1 18254 1 1 18458 1 1 15368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 753.5226@1.2568871 12379 1 3648 1 14499 1 1 1 1 2719 1 1 1 1 1 1 9603 1 1 22613 1 1 1 1 1 1 6201 1 1 1 1578 1 1 1 6328 1 1 C28 H53 N O2 S 38065 66856 74750 214030 58540 46042 52925 33570 51100 38637 44227 38303 44509 64629 32785 37925 55322 32779 46477 1 46849 1 80477 41653 42891 58182 50061 33854 28581 46024 47939 35711 31326 35854 29394 38071 42997 C46 H87 Cl N O2 8084 37887 47053 59736 48403 13450 64710 1 93095 31186 29092 25341 22142 12418 9937 54398 19286 1 36032 30098 19863 26852 22085 47500 37270 1 26998 42776 15182 14870 1 11125 17835 1 25675 27304 35147 706.6573@1.2584413 1 11287 17881 1 1 1 15828 1 1 9886 1 1 1 2373 1 19318 1 59220 1 10220 6697 9571 1 7613 1 1 1 1 1 1 1 1 1 1 2983 1 13253 C31 H58 Cl N2 O 1 24008 61727 69182 1 23812 29720 1 40891 1 49912 1 28859 1 1 1 25556 1 1 41172 24530 1 1 19342 1 33869 23776 20813 1 19724 1 1 1 1 1 1 1 C28 H43 N2 S 1 22546 31940 224123 48907 1 31087 28809 1 33781 1 37189 52901 37256 37286 41645 41375 32602 38306 30903 52460 37425 54065 43582 45540 39327 49574 33180 31628 40642 57606 37985 25424 34177 58473 41285 30963 407.2998@1.2548959 1 32215 29077 1 1 1 1 1 1 1 1 1 1 22831 1 1 1 1 1 1 1 1 26901 1 1 1 1 1 1 1 1 1 1 17081 1 1 1 750.6118@1.2594768 1 1 16810 1 18836 1 1 1 1 1 1 1 1 1 1 34125 1 1 10211 1 1 1 1 18005 1 1 1 7335 1 1 1 1 1 1 1 1 1 C20 H41 N O3 38957 43067 92563 62966 1 27820 93108 95740 38825 53582 79971 24033 80480 86662 39399 117899 66459 146301 72777 46610 35304 27498 38621 35866 80300 64639 95434 31034 53408 114226 84742 32468 37276 44378 67794 61238 110212 781.0771@1.2704219 1 10084 4884 1 1 4459 1 1 8816 11336 14535 1 9355 5679 11767 1 6036 5593 1 1 1 1 1 1 1 1 5498 1 1 1 1 4633 5107 6334 1 1 3294 C34 H73 N6 O4 S2 1 1 27364 16166 25343 27210 1 3745 43257 51306 57637 23304 42625 21374 44814 21839 1 36576 20187 21735 1 27874 7624 11658 12075 42049 27029 14031 1 1 1 23392 26197 29269 1 1 17774 C29 H59 N O5 S2 12153 26805 29256 19368 25669 26936 25221 16300 21992 23047 26281 34482 25080 21458 18736 20952 15365 18484 14515 1 20932 17156 21342 22307 3505 17089 16339 22452 19329 1 24266 18552 1 15488 29623 5036 15425 734.6175@1.2583393 1 19026 38897 42356 22047 1 25304 1 1 1 1 1 1 1 1 38904 8929 1 19479 23318 1 27207 1 31859 1 1 1 26600 1 1 19669 5982 1 1 1 1 30549 PE(22:4(7Z,10Z,13Z,16Z)/19:0) 1 1 8331 1 1 7397 1 1 14137 14373 15093 6769 9842 1 1 1 7182 1 1 7265 4125 1 1 6012 1 7765 7058 7886 1 1 9829 7343 5205 8967 1 1 1 839.1204@1.2594165 1 1 2421 1 1 1 1 1 4188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2397 1 1 1 C37 H73 N S3 12576 1 19921 72603 19036 17173 25915 14044 49065 17130 13038 24211 42774 13257 26733 19221 14964 17279 12271 20091 17089 1 13836 24220 48522 28422 52084 9874 12542 1 19402 21598 17493 25929 15070 36349 8075 752.0577@1.269382 1 15528 10697 1 1 8561 1 1 15019 18076 21518 1 15120 5688 12722 5103 4865 10062 1 1 3301 11505 1 1 1 1 9585 1 1 1 8992 9317 1 8638 1 1 1 C20 H42 Cl N2 S 1 50631 47163 1 64637 60169 49835 44512 76499 38789 120907 95491 44084 32384 1 1 47876 53106 34879 78612 1 117886 36988 24001 47837 1 1 36776 27065 63538 1 45836 1 1 43465 3462 36079 451.3047@1.2564502 1 1 6776 1 1 1 1 1 1 7514 8069 1 1 1 1 1 1 6161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13(S)-HpODE 65578 72748 89102 67431 110917 85336 180457 1 42092 65741 130193 67324 101648 58966 75341 101344 71521 112423 56729 68128 76577 132558 41697 81602 162781 272180 86581 87364 59667 93569 58145 87742 57616 99852 82382 74657 72820 559.4067@1.241625 82824 1 15491 18125 45868 1 1 1 21021 15520 14246 1 18496 1 35031 1 1 1 1 1 15588 1 1 1 1 20228 17588 1 1 12014 1 1 1 13677 16626 1 1 266.1568@1.2563987 1 1 37859 1 1 1 1 1 1 1 1 1 1 1 68555 1 1 1 1 30215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.1709@1.2733829 1 1 2709 1 1 1 1 1 1 1 1 11304 4533 2151 1 1 1 8650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C22 H48 Cl N7 O2 26211 36806 44090 32746 64279 17882 33127 10512 44981 28897 14733 19825 46525 36168 9924 22470 29710 13003 47279 13447 34541 29989 46761 25738 18878 11799 41296 1 20941 30895 63454 29459 19107 20234 18554 19201 19259 363.3345@1.161848 1 1 56867 1 1 1 1 1 1 81338 1 1 104111 1 1 1 1 40811 1 1 1 34123 1 1 1 1 1 1 72528 7078 21063 1 1 1 1 1 64780 338.3308@1.2557551 1 1 3928 1 1 3083 1 1 1 1 2894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 763.5458@1.2586198 1 1 37892 1 1 18038 14764 1 32240 28934 16104 32265 10304 1 2548 16445 14424 22910 8631 31977 1 37302 1 12100 1 1 7020 8541 3056 1 17216 26463 1 1 1 6628 1 C25 H13 N11 O14 S 1 17458 12219 1 8172 10719 1 1 19940 23274 27450 8770 20058 9035 19171 7617 17182 16702 11124 9684 1 12794 1 1 2125 13574 17834 12812 1368 1485 11899 11198 9998 12092 1 1 8687 585.5147@1.2636755 3478 4870 10095 5238 8831 4810 8209 1 1 1 1 1 3892 2703 1 5921 6167 1 1 1 1 6302 1 1 8179 1 5039 1 5131 1 1 1 1 4827 1 7223 6903 C39 H75 N S3 1740 1 27783 12073 1 12884 1 1 38493 8049 12064 8702 12936 1 1 1 1 4497 2855 1 3530 3136 1 1 4760 5267 10247 1 5118 8325 4132 1 1 1 1 4818 1 C18 H36 N3 O4 1 1 15867 1 1 1 1 1 7095 25746 41671 1 1 22744 7341 1 14445 10347 1 1 1 1 1 1 20995 1 6000 17338 1 1 20231 1 3511 1 1 18172 1 C19 H38 N2 O 1 24122 19483 1 23756 18208 4708 1 1 11424 8744 1 7382 8917 3512 1 9839 1 5633 14283 5919 1 1 6549 10669 1 4520 24474 7944 1 9634 9665 1 4829 7153 1 1 C20 H43 N4 O3 14802 32852 60852 74646 61341 43507 71109 70243 78346 57271 51050 48015 52318 22820 33387 86040 48393 135668 55682 64535 47710 52118 39005 67091 77723 220361 68389 57529 41090 81887 55282 33984 35381 36546 74167 59981 79727 739.5362@1.2151191 1 1 4013 1 1 1 1 1 1 1 1 1 1 1 1 1 3237 1 1 1 1 1 1 2576 1 1 1 1 1 1 1 1 1 1 1 1 1 661.489@1.2569201 1 1 3863 1 1 1 1 1 3668 3301 3681 1 1 1 1 1 1 1 1 1 1 3018 1 10464 1 1 1 1 1 1 1 1 1 1 1 1 1 816.6321@1.2611506 1 1 9675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8390 1 1 1 1 1 1 1 1 1 1 1 1 1 C15 H31 N3 O3 1 21426 27953 31872 32486 1 23093 1 18878 22365 25987 1 1 1 23786 20746 15166 24411 19288 1 13567 27118 42387 1 24397 28117 22588 20145 1 30655 22455 25284 1 21727 22049 3439 21589 772.5963@1.2589531 1 1 16852 1 1 1 1 1 15493 1 1 1 1 1 1 1 1 23515 1 2508 1 1 1 1 1 33835 1 1 1 1 1 1 1 1 1 1 1 C11 H21 N O2 177923 245989 241236 204039 179614 203950 181964 143588 247643 257936 236406 132356 191710 227035 171845 137279 240533 208270 114765 202908 163325 258278 187893 240599 192830 242270 214612 252679 196227 175094 288697 365418 172282 193388 182493 232011 219372 C32 H66 N16 O S 1 24865 18616 1 14397 19664 1 1 31500 38786 42191 17365 34775 16408 29668 15127 39706 25569 17364 18949 8238 22658 5248 9490 1 31321 31936 10060 3069 1 27451 16968 20032 18802 1 4179 17194 PE(20:3(8Z,11Z,14Z)/P-18:1(9Z)) 1 19063 15599 1 17063 13673 1 1 1 29792 30405 19932 25349 13069 26141 16031 1 19916 10615 14889 1 16882 1 8219 1 15332 20935 9130 1 4786 21765 15051 13638 2777 1 2854 1 C24 H54 N23 1 82274 32320 1 27527 31084 4256 1 54840 59353 67986 28894 51163 1 42012 32318 1 40498 27167 25946 10871 33195 7400 16289 10844 47083 1 23237 9437 7702 47876 25415 33973 29499 1 1 26346 C20 H39 N4 O 82820 160144 193052 242874 268651 97885 238671 182919 288620 140411 149360 102202 107350 81373 72510 213592 150945 432947 103912 157282 110582 203102 134876 162352 174413 769050 222185 155858 71685 109823 161435 95273 104756 71762 167141 177439 191680 C19 H11 O21 S 1 1 18242 1 19213 19496 1 1 31671 36232 47114 16689 28488 35712 28883 1 39803 23555 13446 15456 1 21005 1 1 1 25932 20177 12500 1 2551 32946 15367 24512 21412 1 1 14448 525.4226@1.2604954 1 1 50882 1 1 1 1 1 44402 1 39151 36627 29653 1 1 1 1 1 1 22464 23004 43674 1 1 1 22788 37924 1 9050 1 1 21320 1 1 1 1 1 C12 H26 N3 O S 16046 1 17626 10331 1 19333 1 7295 16792 12261 15810 19544 1 1 1 7946 1 5813 10752 9419 10020 1 31571 13400 1 12934 1 7773 1 1 16825 1 1 1 6942 1 1 C23 H13 N4 O18 S 1 50139 18149 1 13930 17004 1 1 28852 32710 40003 1 30293 13548 29019 1 1 23246 1 13014 1 20167 1 1 1 1 22813 8691 1 1 30933 17041 22174 20124 1 1 14247 C32 H65 N3 O9 1 1 36379 21288 41438 35439 1 1 59066 63591 81243 34236 56319 37305 58379 1 52909 49274 28100 31945 15290 1 12672 18522 1 71263 45413 29129 1 9836 57630 39415 50621 42307 1 1 34848 C24 H14 N4 O21 1 42131 13763 1 1 14857 1 1 25704 28269 34115 14420 23014 13836 26721 1 1 17356 1 10494 1 15917 1 5181 1 19829 19153 17091 1 1 1 11899 20948 17280 1 1 8806 C33 H64 N5 O5 1 51145 19539 1 1 1 15255 1 31900 13495 1 15717 1 5231 1 18389 7606 27797 1 19381 22821 30648 1 15451 3804 75359 1 74655 1 27051 11922 15048 1 5007 1 1 14770 896.6624@1.2592127 1 1 2739 1 1 1 1 1 3701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C45 H55 N2 O S 27879 1 28764 1 32354 21729 20583 1 23089 20763 26218 23646 22174 1 1 1 1 1 1 18906 1 29826 1 18005 1 1 1 1 1 24038 1 21514 17481 18170 1 1 1 566.4978@1.2650374 1 12552 9429 25086 1 1 1 1 1 1 1 1 1 1 1 10771 6044 1 5679 1 1 1 4058 8316 1 1 1 14001 4984 10644 7441 1 1 1 7357 9836 1 Staphidine 1 92328 36512 10723 34637 38820 4519 1 76722 70671 86985 38965 57961 49370 67281 29982 77799 52392 12055 1 12399 41237 18575 15067 12629 55596 45545 1 3121 6738 56359 35565 56588 44426 1 13529 1 C25 H57 N17 1 1 25420 1 1 1 1 1 50970 1 16628 14182 16318 7456 1 1 1 21952 1 3931 13866 1 1 1 20906 1 1 5555 14804 20602 7691 12214 1 1 1 1 1 C29 H51 N4 O4 1 52928 26572 1 33672 25226 12983 1 1 35253 41878 19826 38775 1 35062 27069 30925 26415 25973 19405 1 24820 1 15190 1 1 1 19534 1 13506 32127 22654 1 20012 1 1 11684 C24 H46 N5 O2 1 1 10340 1 1 7303 3423 1 1 3659 1 1 1 1 1 2767 1 1 1 5767 1 97366 1 6794 1 6407 4002 13840 4007 8378 1 1 1 1 7154 5703 1 479.2722@1.260287 1 1 26851 1 1 9501 1 1 1 1 1 54633 26895 1 1 1 1 11353 1 1 1 65189 1 1 1 1 1 1 1 17109 1 1 1 1 1 1 1 C21 H8 N4 O20 1 52964 19054 1 1 19483 1 1 31407 39059 45184 16862 32433 20509 31044 19308 1 24084 1 14337 4057 20531 4974 4906 1 27415 24698 1 1 3114 31564 17716 24479 22891 1 1 15247 C32 H69 Cl N3 O3 15322 36760 71797 106522 62902 34486 53385 61418 137088 45299 1 1 41845 1 1 83048 1 1 43701 1 49161 50300 1 67909 62018 284409 41921 59406 29738 1 58747 1 1 1 44538 63420 65092 C35 H60 N6 1 9271 26695 44711 46154 1 24394 34597 60944 16402 1 8302 11644 10711 11762 25341 13535 62911 12395 36929 13378 1 14667 16633 35610 154353 21442 29423 15990 1 23601 1 1 1 19426 15294 20722 C11 H26 N3 S2 56335 78197 142447 40579 1 156665 115171 63172 19165 91611 103390 52924 1 79993 1 60499 1 54770 73223 103677 1 75651 1 1 1 1 1 1 25792 60104 1 76605 60005 109089 84768 42223 89721 435.3127@1.2592118 1 1 10358 1 1 10413 1 1 1 1 1 1 1 1 1 26763 1 1 1 1 11737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C31 H65 N2 O S3 6247 89656 35882 20787 42644 1 18815 1 45067 63118 83366 30611 60142 36551 56739 4750 77319 50911 1 37942 8382 43733 16637 17301 12007 50362 44831 32322 1 1 55481 34036 1 42382 12378 13281 24520 738.5291@1.2606452 1 1 7843 1 1 1 1 1 5699 1 1 8352 4759 1 1 1 1 1 1 1 1 10003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 cholesteryl beta-D-glucoside 1 77655 26636 1 44922 1 1 1 47234 48715 62928 31178 50626 1 43949 26859 55653 37591 1 23876 1 41242 1 1 1 1 33729 1 1 1 57460 28724 29547 1 1 1 1 68.0624@1.173707 1 1 17113 1 1 53815 10524 1 1 53994 39212 11099 40565 1 15045 1 1 1 30445 37060 8145 1 6652 1 27912 1 1 1 1 1 1 8547 7438 11447 1 1 10085 C15 H4 O17 S2 1 1 9149 1 1 8359 1 1 10679 13220 19659 1 13361 1 10551 1 10403 9511 1 5144 1 9590 1 1 2793 1 10769 1 1 1 12695 5475 7948 1 1 1 1 C27 H56 N14 O2 1 1 6400 16322 18351 1 1 4541 1 1 1 14329 1 4048 1 6190 7192 1 1 1 1 1 1 5933 6008 80802 6791 1 12556 1 1 1 1 1 1 11304 1 C16 H34 O2 S2 136369 185824 187888 124950 169325 129243 182823 110385 153680 171465 193127 145543 169583 51551 168401 169931 132339 136334 126707 145932 160748 163827 171274 134204 116912 148285 133276 118357 133359 173889 158456 129501 137029 114418 188967 146958 117455 449.2663@1.2509311 1 1 4794 1 1 1 1 1 1 1 6426 1 8327 1 1 1 10834 1 1 1 1 1 9664 1 1 9669 7332 1 1 6156 1 1 1 7854 1 1 1 C18 H2 N4 O19 1 47452 18044 1 15491 17974 1 1 27837 33052 41404 14344 28842 16003 27219 18173 1 21439 9433 12500 1 17958 5356 5337 3857 1 20183 12137 1 1 1 15102 23687 19893 1 1 11444 497.2821@1.2544622 1 1 31307 1 1 1 10978 1 21030 20577 121350 69674 15359 1 1 1 1 7101 1 82662 1 1 1 1 1 1 1 3071 1 1 1 1 1 10461 1 1 1 C17 H46 Cl N12 1 31964 19165 986241 30178 14264 17880 1 27357 1 15915 14093 25140 1 1 13822 32068 10985 1 19023 17735 18463 1 19459 11756 26959 21514 25935 1 23796 61462 13310 14164 13048 1 17469 1 Caproic acid 1 1 35563 11551 1 1 1 1 1 1 1 57719 1 14656 21864 30253 25294 16052 1 17338 1 32589 8015 20605 14347 1 1 11926 15686 1 1 1 1 25487 1 1 1 576.4747@1.1748512 15305 1 4448 11550 27295 43370 1 1 7031 1 1 3079 2056 1 13813 4129 22748 55878 1 27318 1 1 20832 31084 1 1 1 29105 1 1 30252 1 1 17878 1 1 16247 C35 H69 Cl N4 O 10680 1 55177 1 2045 41426 28447 1 73171 44639 73655 74264 34534 48691 36181 71620 56009 45975 61926 77799 53621 34841 71998 33541 1 1 45011 1 26406 132651 51046 55214 49545 51337 47760 60961 1 C11 H19 N O2 139643 1 34755 1 1 1 277184 48249 1 1 1 1 1 338948 227259 34033 1 269108 171388 1 232408 157363 13298 225284 1 1 1 1 1 1 254936 1 1 205025 1 252514 1 201.1718@1.2656115 9051 13200 6213 14831 1 1 14910 1 1 7216 13788 1 1 1 8129 7354 1 1 1 1 8829 1 1 9224 14657 1 15608 1 6657 1 1 1 1 1 8072 1 1 700.1854@1.2584766 1 1 1934 1 1 1 1 1 1 1 2554 1 1 1 1 1 1 1 1 1 1 1 1 2944 1 1 1 1 1 1 1 1 1 1 1 1 1 616.4762@1.263974 1 1 8612 1 15106 1 1 1 1 11716 11034 5578 1 1 1 12278 1 1 10084 6557 1 1 1 33403 1 1 1 12042 1 6969 11516 1 8657 3535 9244 1 1 622.4999@1.2623861 1 1 17280 1 10825 1 1 10851 1 6164 1 1 1 1 1 1 1 42889 1 1 6250 21904 1 1 1 68466 1 1 1 1 1 1 1 1 1 1 9210 608.5088@1.2641127 1 1 5422 1 1 1 1 1 1 1 1 1 1 1 1 59401 1 79626 1 1 1 1 1 1 1 1 3868 1 1 2833 1 1 1 1 1 20729 3966 168.119@1.2405736 25057 1 48181 1 17479 122180 1 1 1 1 1 1 1 1 37428 1 1 1 1 5895 52133 1 1 1 1 30189 1 1 1 11434 1 1 46750 1 1 1 29380 C16 H5 O20 S 1 36555 14344 1 15097 1 1 1 24815 27122 35576 1 24313 1 18391 1 27335 15115 1 1 1 14730 1 1 1 18138 17448 1 1 1 26465 14991 1 18085 1 1 1 Ammothamnine 34258 85960 142261 72671 59587 104208 53056 30703 221338 108828 106047 92335 97785 58062 1 1 37714 87021 46903 88044 73405 93173 24542 1 19498 1 1 24748 45165 1 43105 82382 1 1 23996 26749 1 963.7051@1.2663342 1 1 4251 1 5766 3454 1 1 4312 4583 8074 1 5445 1 3836 1 1 1 1 1 1 1 1 1 1 2994 1 1 1 1 2557 1 1 1 1 1 1 C33 H62 N5 O4 3118 1 47910 1 107615 33347 1 13961 148791 44661 25682 6788 27574 1 12321 1 6424 1 18635 58481 1 15741 37801 35162 1 1 12978 1 1 1 42816 1 17138 17896 41521 1 1 819.4917@1.2647884 1 1 16714 1 1 1 1 1 1 1 28596 11324 1 1 10927 1 1 10493 1 1 1 26124 1 1 1 8785 1 1 1 13345 1 1 11084 1 1 1 10290 640.5315@1.266556 1 1 3375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7228 1 1 1 1 1 1 1 1 1 1 1 C17 H34 N2 O 1 52864 29435 1 1 29387 1 1 23727 23408 1 1 11835 15158 1 1 10197 1 1 1 8770 1 11186 12063 11260 1 1 37215 1 1 18994 12204 1 1 11221 1 1 193.0773@1.2640091 1 1 29832 1 1 1 1 1 1 1 23875 1 1 1 1 1 1 1 1 1 1 25609 1 1 18234 1 50462 15545 1 1 23933 60130 1 12071 1 1 1 801.6159@1.2602481 1 2504 6764 1 1 1 1 1 1 1 1 1 2460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3699 2095 1 1 1 2987 1 1 582.4949@1.2690951 2145 4615 16357 11918 20545 8317 14688 27885 26135 14774 1 13845 9413 1 6465 28230 9960 1 10556 1 8429 7000 7278 18479 28660 103546 13825 9585 11245 23143 18277 4440 1 1 24827 13813 21730 Valeroidine 1 104686 124830 166799 1 121519 121137 178543 156612 135137 1 94884 148782 165433 148394 156178 163333 182347 100731 139878 129378 1 1 137354 128888 209372 160613 142127 104808 162305 135169 138634 1 1 150284 151385 156098 86.037@1.2655725 1 1 23886 1 1 21935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.1358@1.2636983 1 1 5077 3466 1 20582 1 1 1 1 1 1 1 8493 1 1 1 1 1 1 1 12612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 829.6409@1.2667114 1 1 3293 1 1 2707 1 1 1 1 2367 1 1 1 1 1 1 1 1 1 3002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Butanone 23702 166635 86525 29844 31351 65458 59002 23550 42916 29209 47715 49156 59273 41666 50780 35426 34386 32776 1 47243 45967 36059 23604 40269 1 1 34786 36705 35939 25282 39207 31760 67602 33446 38159 1 32992 198.1279@1.2366555 1 1 22329 1 1 22306 25178 1 1 1 1 1 1 1 15473 1 1 1 1 1 1 11309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C16 H35 N4 O2 16563 21081 37137 52071 34618 1 38516 28427 18323 16906 18518 11705 30071 16706 28111 38079 17112 20248 12690 18282 11997 15688 43657 23056 37426 24875 34509 16500 22962 24434 35636 36083 13446 17644 39562 31350 20087 218.0146@1.2685344 3617 1 3666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7122 1 1 1 1 1 1 1 1 1 1 1 124.0887@1.2602237 1 1 11794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15243 Prosopinine 21762 1 50233 30652 27459 1 25738 15627 19353 15515 13384 1 5949 15251 26058 1 15957 17402 7475 15574 11864 18692 12221 1 24848 1 29706 1 1 12031 16118 8518 9178 15288 11821 16937 12407 C15 H27 N5 O3 45211 67906 100718 78392 90418 68296 1 69766 85929 73914 100189 1 92350 79117 66727 76106 1 66331 43746 68859 72162 89811 86620 1 30121 1 76535 54418 74223 61754 80612 62348 48674 48554 1 71108 55102 671.5434@1.2659948 15371 11615 14567 1 15375 1 24349 11508 1 1 1 19183 20166 14023 1 18416 1 1 1 1 5378 1 20091 1 1 1 5918 8474 1 1 1 11085 1 1 9254 12833 17826 452.3608@1.2779435 1 1 16144 1 25742 1 1 1 1 1 1 1 1 1 1 1 20915 1 1 1 12993 1 1 14070 1 1 16704 1 1 1 1 11010 1 1 1 1 17233 807.6575@1.2788308 1 3957 5536 5269 11847 4923 4241 1 6656 2443 1 3380 6854 4010 1 1 3872 16989 4907 13828 19589 1 4233 4085 1 9671 1 1 3277 10055 4321 1 1 1 1908 6840 4145 C37 H44 N5 O4 S 10188 24469 14881 1 48580 16229 18876 1 18804 16296 17107 16614 13275 1 17108 12236 1 14143 1 22085 17221 15015 1 9144 1 16901 1 14417 18147 9508 19789 10515 1 4155 1 4438 1 180.1149@1.2615435 1 32949 25380 1 1 17515 1 1 1 1 1 1 30107 1 1 1 1 1 1 1 1 74151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Boschnialactone + 1.2586726 93607 308206 63577 129947 1 35293 237317 1 233690 172934 279021 167893 1 35417 1 84639 132189 1 1 118349 197053 253132 192294 206650 27427 1 86989 216562 1 80637 378985 635938 132824 1 134697 1 1 126.1044@1.2693633 37637 1 84664 1 1 7723 1 1 1 1 58779 1 6298 1 1 1 1 34420 22146 1 1 1 1 1 20114 1 1 33821 32572 1 54016 91288 1 1 1 1 1 673.4974@1.2812569 1 108295 9897 1 1 1 1 1 1 1 11549 1 1 1 1 1 1 1 1 1 1 8806 1 1 1 1 1 1 1 1 1 1 1 1 3169 1 1 PGF1? 42550 63277 35928 33023 53630 41664 33263 28396 34105 26014 38585 1 51425 26220 19510 38401 27401 39895 15887 45349 39818 39308 30895 27445 43565 1 46032 40678 30135 48658 35500 37953 30880 36743 45372 31358 19289 Gabapentin 216395 46914 537676 1 113167 64580 1 1 1 1 1 1 227891 154505 165331 1 1 1 137396 1 1 173428 23774 1 129386 123163 136891 1 154422 1 1 1 1 122038 1 115893 164975 C6 H14 O3 125334 423388 334896 157924 146026 343651 295335 120461 162739 164926 236469 246352 263224 210569 280153 209554 191029 172847 183122 202901 241985 194880 135525 205837 182353 135869 173314 175787 223415 139708 181556 175518 174016 175016 174461 138439 161471 193.1078@1.2766911 1 34439 39956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22934 1 1 1 1 1 1 37139 106657 1 1 1 1 1 Ethyl acetate 14592 48629 40107 17673 18623 62815 98831 15127 22329 15386 26304 27262 57707 24654 10696 41256 21981 19040 1 24172 29817 23947 14051 25571 22522 16327 33829 19991 36631 1 37728 20909 20041 22004 30498 17294 17616 151.1206@1.3107114 1 42950 38380 1 1 1 1 1 1 1 1 1 1 1 1 1 8299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14325 1 1 1 Glucosylceramide (d18:1/24:1(15Z)) 5042 15304 12337 19138 23354 10007 7747 1 13735 5627 11254 10995 10114 11896 7976 8685 9160 1 11494 1 1 6417 7483 18746 8707 9523 8112 5332 8399 43056 8337 3052 8134 7118 5027 1 7360 C34 H66 N O3 S 1 1 22799 17361 12912 1 20563 18609 1 14698 1 9589 1 8118 10890 11431 7566 1 19933 23072 13429 1 1 11184 21627 55743 13981 1 9172 33282 13845 14916 1 10520 22248 16597 11774 GalCer(d18:2/22:0) 2821 1 8155 13835 14873 6886 12973 10242 8697 1 1 7797 16188 3410 3934 1 5146 8005 3430 1 8916 1 4888 1 4544 1 1 1 1 9605 3214 2223 8321 1 11919 14561 4671 187.0858@1.2790374 1 1 14388 1 62466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22489 1 25296 1 1 1 1 1 1 1 1 810.6776@1.277 1 1 7719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 567.4705@1.3292016 1 28717 29645 33091 1 1 1 1 74930 16738 1 1 1 1 1 1 1 1 1 1 1 30719 1 10184 26355 1 30987 1 19919 1 1 1 1 1 1 14489 1 C39 H68 N2 O S 1 12516 43165 49669 40660 14789 27785 37187 62396 25345 13270 21255 14623 13793 12594 49210 18374 33316 32299 22030 19088 1 20396 25041 36634 175461 22049 31359 9104 26131 26219 1 1 9131 26324 38464 33319 C10 H25 Cl N4 O2 1 31528 70856 45301 84309 45662 1 1 52470 24902 55455 28312 27769 22252 1 1 35001 40896 1 45158 27929 48965 38673 37405 1 59427 47182 6659 1 6832 1 25853 27445 33844 19935 25748 1 Inulicin 1 51973 57994 1 14366 77028 1 17413 39959 1 46582 24311 1 1 1 36700 32522 1 26739 46300 26198 40698 48654 41049 19689 39824 1 38271 29640 29632 20463 36868 35537 29907 1 33436 28278 799.2405@1.2140714 1 1 2604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2245 1 1 1 1 1 1 1 1 1 3383 1 1 1 1 TG(17:0/17:1(10Z)/17:0) (d5) 1 26196 16712 14160 1 4874 1 1 47542 1 11568 1 1 1 1 1 1 1 1 12858 1 1 1 1 1 1 1 1 1 542331 1 1 1 1 1 1 1 C12 H21 N O3 50101 63754 75519 102713 68804 98473 88326 130223 133911 76677 138067 1 77154 67714 97490 89859 94584 140416 51071 87882 56531 1 80022 71959 76574 149387 92650 95519 67973 104903 92904 72810 56429 71296 99018 113680 110709 Gly Cys Trp 3554 5459 4942 1 1 2972 1 1 4615 3498 1 1 8923 1 1 1 1 1 1 2630 11785 1 1 1 1 1 1 1 1 1 4084 5757 6273 1 8394 1 1 899.7936@1.288707 1 1 5182 1 21118 1 1 1 4883 1 1 1 1 1 1 1 1 1 1 1910 1 1 1 1 1 1 1 1 1 294034 1 1 1 1 1 1 1 847.7625@1.2742087 1 5857 6524 1 23009 1 1 1 9875 1 4168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22079 1 1 1 1 1 1 1 1242.3503@1.3562269 1 1 8202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C16 H33 N S2 42237 33378 72620 34699 39216 46375 50706 50691 40188 31458 64312 37190 1 34654 57570 37734 54668 47552 42049 72886 40638 52763 45204 1 30151 88318 58370 47894 32875 52978 35572 27330 31195 32644 31045 33907 57751 251.1503@1.2736174 1 1 74103 1 1 1 1 1 1 1 62638 1 1 1 1 1 1 1 1 1 16284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103254 1 144.126@1.288 1 1 8398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C4 H7 Cl O2 1 6232 8256 1 3762 1 1 3180 1 1 1 4280 5728 5170 1 1 1 1 1 1 4426 1 1 4078 4320 4754 4547 1 4999 1 1 4901 5455 1 1 1 1 C8 H14 1 29637 32272 1 12233 26305 29888 1 1 1 3615 19106 26355 10923 23749 1 1 1 8707 1 23127 19826 1 16307 1 3998 11017 7177 7602 1 11600 1 9500 10691 1 1 12673 68.0626@1.2812315 1 1 7609 1 1 1 1982 1 1 1 1 1 6217 1 6261 1 1 1 1 1 1 1 1 3827 1 1 5518 1661 1 1 1 1 1 1 1 1 1 C16 H36 Cl N2 S 27315 37612 41113 1 1 10032 43594 1 33983 30262 41840 39344 43857 1 1 41915 17351 38040 23641 30292 1 1 29865 30447 31855 39326 1 39627 33467 39009 36727 34529 34704 1 8457 37841 27567 C11 H6 N3 46888 56454 50303 1 37614 44345 38539 21886 35061 32184 50157 33069 36814 30639 31189 23390 33512 40128 25120 30800 37877 36113 21489 31500 33938 31697 40590 23804 1 34754 32325 33232 30686 32801 31190 38377 37503 C12 H25 N O2 1 385153 711354 376731 357196 268037 352293 267618 303882 264888 408345 194563 371017 368892 251414 321715 335136 332390 250703 283111 425502 310203 1 276250 308735 467816 380331 231154 241262 277248 510945 292261 161164 203475 264840 264965 280882 IBMX 1 49417 35688 354415 54565 45781 42939 42463 57076 39578 48593 31803 60497 21929 1 1 20692 25694 1 1 136830 38427 128897 1 19021 1 50000 1 1 1 59466 32369 1 44716 1 1 1 C12 H26 O5 703691 1045205 1684556 510127 686997 2136246 1108254 599446 642333 596383 1298376 1077387 639409 525445 960466 703095 540125 689844 566975 759698 529367 1000488 445492 725959 406635 880278 735044 681719 571836 782365 567132 781035 699754 742140 726535 599023 438772 219.1041@1.3 1 1 14453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 880.7474@1.2987669 1 1 6981 7871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (3Z,6Z,9Z)-dodecatrienol 99160 57357 27866 120911 113354 10309 38546 64503 1 8687 51832 32389 88760 129256 1 82571 89699 72056 84209 48103 1 1 102687 1 80319 1 25038 91765 70317 49788 15681 45415 1 1 79179 1 8171 140.0847@1.2641354 1 1 97567 1 137843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 901.8088@1.3021992 1 5776 15289 14166 1 3007 1 1 36019 1 9509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Glucosylceramide (d18:1/16:0) 33310 28346 59836 41086 58885 25842 40918 28928 47021 21384 34280 35265 47566 28116 19204 28185 21086 32647 31094 22013 37627 18493 25047 37904 1 24864 27390 24415 23882 50661 24516 14595 32086 21599 16441 32109 23068 849.7778@1.3047814 1 1 7934 11664 1 1 1 1 26651 3856 9379 1 5179 1 1 1 1 3834 1 1 1 1 1 1 1 8417 1 1 1 60742 1 1 1 1 1 1 1 1275.3436@1.2977456 1 68454 695452 68944 1361634 1440576 68814 1036019 613695 180804 756681 66153 64661 62941 37796 61617 80249 97416 21635 35779 84436 73027 1541757 55607 34253 75460 72101 12021 19404 78426 84844 67046 1775622 79792 74388 92566 40896 875.7931@1.3082651 13207 1 49557 30174 1 11960 1 1 1 10456 25219 8202 6687 5958 1 1 1 5561 6851 25526 9686 1 1 11213 8209 9726 1 1 1 16730 8173 1 5728 1 1 3124 1 218.1062@1.306547 1 13347 13020 1 1 1 1 1 20400 12281 1 1 1 1 1 1 1 1 1 1 1 1 1 9825 1 1 1 1 1 1 6732 1 1 1 1 1 1 555.4379@1.331637 1 1 19690 50179 12564 1 1 1 19902 16749 1 21587 1 9350 6432 15613 10787 12623 1 1 1 12621 10707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.3803@1.3147779 1 1 2103 1 6019 1 2223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3645 1 1 1 1 1 1 1 1 1 1 1 C33 H52 Cl O 1 149792 18053 29290 25974 14286 20217 1 15875 16087 24013 20660 32083 27659 16241 15946 17355 17506 16409 1 20908 22599 28139 15791 12887 12620 21439 11625 10448 1 11737 14564 13615 12734 14856 18281 7937 165.1516@1.3307405 3566 1 3489 1 1 6622 1 1 1 1 1 1 1 1 1 5461 3156 1 1 1 1 8699 1 1 1 1 1 12527 5907 3430 1 1 1 1 1 1 1 426.2586@1.3254772 22122 1 8328 1 1 1 11150 1 1 1 20089 1 1 1 14170 13625 1 5488 11064 1 1 1 1 1 22491 1 1 1 1 1 1 1 1 1 1 1 13878 129.0576@1.3447218 1 1 12920 1 1 1 1 1 1 1 1 7244 1 1 1 1 1 1 1 1 1 1 1 1 1 10961 1 1 1 1 1 1 1 1 1 1 1 282.0675@1.3179696 1 14759 21625 1 17354 1 1 1 7873 13801 17054 1 1 1 24405 15734 20279 17104 1 1 3379 33525 1 4673 1 1 1 1 1 1 1 1 4311 31964 1 1 28814 C20 H41 N8 O3 19546 132492 81132 104388 87061 56687 70576 61163 66436 62672 113414 96297 127115 81380 74692 77878 74570 100940 60114 63909 113682 82285 82650 54332 79041 63891 69399 56562 29433 1 63515 62887 80404 61210 92870 1 51559 C15 H32 O6 1759453 2794072 2565997 1372359 1916977 2090660 2209903 1536611 1971044 2078814 2986404 2243499 2529030 1293502 2090017 1892475 1599859 1926757 1192305 2300618 1548994 2645372 1498340 1614534 1352802 2135026 1734767 1723970 1303873 2239456 1629786 2001845 2045515 1665350 1924345 1986442 1611754 C18 H38 O7 256669 651169 579301 367426 519960 433497 492711 329203 423588 449200 585358 491511 594848 361450 441953 463508 406851 565338 348042 443551 489831 559292 409626 351028 420127 396322 387010 400958 299814 658626 375202 448352 490622 391759 598337 599118 314681 C14 H17 N2 1 26138 33467 37792 31417 44546 32861 1 35399 40085 42315 1 28373 26280 42439 33502 42861 44119 18427 43834 26589 35194 27039 32989 30359 52822 34427 38817 31628 38712 34713 27515 19458 31937 42158 49043 42661 253.1526@1.3932016 1 1 14232 1 1 1 1 1 1 1 30087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12964 1 1 1 1 1 1 1 1 1 26118 316.1109@1.319 1 1 5944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.2651@1.3851755 1 1 8110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.2671@1.2745999 1 1 12456 1 1 1 1 1 1 1 1 12776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C9 H27 N8 O2 S 42884 57998 78923 69319 65354 55579 51119 42225 71519 8038 1 63872 13268 12276 1 58182 1 53961 10154 56113 12187 71752 13711 56310 26297 38456 58147 14399 1 56865 41974 9280 27416 47590 50780 50105 1 C8 H18 O4 1 79435 183203 1 1 1 1 1 1 1 82613 1 91973 1 52181 38203 32440 26676 1 1 1 78690 1 54297 17443 1 37516 1 1 1 1 56063 44277 1 1 1 44831 369.2419@1.3324678 1 1 39101 12507 1 31996 1 1 36511 20040 24646 1 1 1 12459 1 1 19455 1 24577 22388 1 1 1 1 1 1 1 1 1 1 1 16618 1 20169 1 1 174.1256@1.3308702 1 19283 30735 1 1 39763 1 1 1 1 23376 1 22524 1 1 1 1 14672 1 1 9587 20432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C26 H48 N2 O3 32734 73940 89563 156553 214125 46507 76079 20091 108263 58551 30065 55692 56196 129694 46558 56263 85956 33627 97875 41601 88081 1 152843 52102 58786 65736 38543 54605 50379 77241 68917 61370 55535 36337 34340 72025 44995 166.0994@1.3340985 1 217706 405144 1 89891 263803 1 1 1 1 193318 1 53594 86339 199018 1 1 1 1 1 201979 132601 1 82634 1 1 123359 1 1 1 33889 1 1 87180 1 1 1 11-amino-undecanoic acid 47392 53770 53925 66961 54796 79454 59107 63524 68556 68562 71562 36598 55657 58229 58379 50882 73009 72130 35903 70343 47855 73472 47970 52460 49404 89814 73088 47836 49452 57854 54062 54197 26120 46320 52723 62712 75646 C9 H20 O4 117410 1019528 1041179 101429 219756 1726237 841023 95309 137558 119650 694194 589786 666670 292796 630707 365988 239711 283483 228281 168385 531345 745093 154332 573279 107361 246649 323205 57510 88099 102937 378847 272150 294406 480179 356900 114490 285212 58.042@1.3351506 1 175559 385607 1 1 476182 1 1 1 1 191752 1 185665 1 1 1 1 1 1 1 132154 193395 1 1 1 1 1 1 1 40909 1 1 1 119783 1 1 1 C18 H37 N O5 1 1 120241 1 643529 14265 1 155939 1 1 77426 21240 181203 77415 239474 93060 116198 34240 195853 33541 11787 163778 48884 1 253262 313462 318873 1 84117 4140 37447 1 1 30845 27018 102976 1 539.4392@1.3476601 1 18337 43263 109661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39171 1 1 1 1 1 1 1 352.2223@1.2966841 101989 18194 59277 1 225316 1 38383 68650 16362 13171 1 14376 47984 47398 120382 53738 46370 1 115021 20399 1 1 1 1 138883 153089 64383 16973 38544 13882 1 23843 1 1 22877 63157 76972 C13 H25 N O3 + 1.3452842 754947 1029764 761497 1682742 1686438 771425 1279888 635586 1209422 1002352 527377 380091 1244025 2279950 590118 1409652 1035528 1112460 996582 552359 776668 862957 1120285 1057089 1432427 1136911 1189157 1854774 1082582 686609 1005041 1164133 491321 872920 1200568 1156511 767387 C13 H23 N O2 1 466923 323864 1 1 1 1 274939 1 441791 244728 183493 1 1 299798 1 463179 1 447376 227797 333461 1 502511 1 1 514694 1 515808 290310 311127 390183 482095 1 1 1 1 332395 162.14@1.2860637 1 17867 15633 23697 20481 1 1 1 1 1 1 1 22393 1 1 18038 22774 12517 1 26154 19658 1 28101 17489 17400 37464 1 1 1 1 15661 1 1 1 15508 20119 11818 219.147@1.350914 1 29504 57000 1 21942 1 1 1 1 1 30208 1 1 1 27454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12302 1 1 1 1 231.1828@1.351 1 1 19487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C25 H46 N2 O3 20894 57657 69062 144470 170993 42510 67334 25303 80771 70583 25479 43760 53205 95857 34596 48880 58878 26170 83974 52594 87616 76471 118348 32900 52082 41726 31905 5477 45548 54394 54987 57545 40333 34682 44035 61940 36756 110.1095@1.321564 1 1 3878 1 1 1 1 1 1 1 20934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0997@1.3602201 1 27315 18033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12041 1 1 1 525.4235@1.4061613 1 46388 10739 1 29019 1 1 1 1 1 1 1 1 1 1 1 1 1 24729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C11 H20 N7 123979 245078 429689 1 189565 552585 296698 182335 158808 154843 302863 1 215772 1 249728 1 123785 180374 1 209009 172239 194024 1 199452 123025 1 211901 1 100730 193937 168158 220032 179861 209443 1 1 232595 454.3774@1.3849281 1 1 2530 1 1 1 1 1 1 1 1 1 1 1 1 1 2291 1 1 1 1 1 1 1 1 3169 1 1 1 1 5510 2058 5593 1 1 1 1 C26 H49 Cl N4 1 1 8759 1 57782 4275 1 1 20819 5931 1 1 9448 31539 8493 1 1 1 1 5591 1 8864 1 1 1 1 1 37124 1 10489 1 5762 1 1 1 1 1 686.5135@1.3678418 1 13027 4344 1 1 1 1 1 1 1 17439 1 1 1 5714 2134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3537 1 3815 1 1 1 282.0677@1.3756473 1 1 5074 1 1 1 1 1 1 1 1 1 3121 1 1 1 1 5375 1 1 1 1 1 1 4200 1 1 1 1 1 1 1 1 1 1 1 1 C13 H6 N6 1 47325 65878 1 1 19931 1 1 10612 26572 1 17523 99914 27472 1 3977 21918 1 1 1 73354 1 18373 29330 1 1 1 6085 42845 1 25588 45621 12438 31365 4884 1 1 C12 H23 N O3 243537 366014 444042 442609 1 413168 528976 683080 425049 508224 450842 1 616778 546760 486744 516617 636839 796905 770184 504002 449328 542266 355859 1 710728 1013107 590165 727508 812043 315379 472159 449430 184304 334277 512537 577539 548464 178.1203@1.3831524 1 48667 135954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C6 H10 N3 O2 1 1 90492 1 41126 90936 67658 1 54341 1 75629 1 85773 1 49424 74089 1 1 73472 54740 1 76772 1 93025 46113 32368 1 1 39944 87248 65280 73480 1 73766 74403 56480 49479 239.1869@1.3558958 1 1 17152 1 1 9402 1 1 1 1 11633 1 1 15138 1 1 14464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C24 H44 N2 O3 22684 60115 68555 125615 187772 44429 71602 31514 89794 59673 29344 39770 57100 100502 31256 40808 68911 27629 82638 47344 81032 87739 108153 49060 42932 42247 44338 24636 51124 60465 60258 67600 38208 7407 42361 69679 33622 3b,17a,21-Trihydroxypregnenone 30406 33415 67334 30232 18950 50467 14874 17934 74673 62292 55980 42288 75732 23852 21583 20534 10536 12422 1 61654 99189 17439 1 32389 18324 29117 34987 72262 1 10263 56898 29259 77497 16340 76195 38157 13716 215.187@1.3885019 83116 58595 82029 1 1 42280 1 1 1 1 66644 22160 1 47183 39282 1 40860 41636 1 1 62552 1 69048 1 1 1 58334 36326 35513 37467 72361 42733 28713 27782 33967 37000 51853 115.0631@1.3908595 1 1 131861 1 52044 83122 65496 1 1 1 58395 64543 61904 1 61071 31218 1 36686 1 1 52023 1 1 43970 1 1 1 1 38213 1 1 1 38657 1 43938 1 1 205.0742@1.3891591 1 1 54966 1 55895 1 1 1 1 1 32882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 n-decanohydroxamic acid 30201 33883 36475 3897 3754 29259 20748 32767 35076 2860 9030 14473 36293 28650 30856 27154 34096 31308 41264 8797 29386 54132 26910 3818 25271 38865 33116 51046 31115 28095 32229 33843 17111 30593 30704 31158 29445 511.4082@1.4214265 1 17145 35368 91732 12737 15102 1 1 1 1 20808 1 1 1 1 1 17048 1 1 1 1 1 34420 1 1 1 1 1 1 1 17880 1 1 1 1 1 17679 C9 H20 O4 + 1.3973582 1 393684 516243 1 1 826123 1 1 56708 55689 265229 211658 295270 132939 1 192800 1 1 1 65497 247514 259140 1 232217 1 1 1 1 1 44853 153137 139730 167616 1 177695 1 159263 C14 H25 N5 O3 1 26382 44068 49431 39327 30580 25229 1 1 40052 47307 1 35878 1 1 39200 1 25436 1 16965 28093 37925 60194 1 39580 1 1 28319 45162 1 44890 49892 1 1 30000 35858 1 Limonene-1,2-epoxide + 1.4060118 27401 1 59389 54520 47475 45345 44974 45291 69028 1 50185 1 73170 58583 1 1 62941 59088 6336 46198 1 1 46293 47357 40077 62736 44771 1 32555 1 51898 1 1 40692 43658 1 39836 495.4128@1.3529439 1 1 19204 50055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35220 1 1 1 1 1 1 1 C26 H42 N6 1 8444 10466 11512 52510 2815 1 1 12056 1 1 1 11738 52073 11575 21306 1 1 30561 1 29069 8525 44035 1 39067 25740 1 1 13999 7687 1 31126 1 10155 1 24510 1 Ethyl 3-(N-butylacetamido)propionate 200351 497803 620079 777609 704408 591970 406933 602669 812217 679240 249088 283765 580723 544544 332742 676260 853372 442425 302314 500483 377293 239630 395045 359994 577077 807799 667196 700565 449545 618220 395895 587488 336632 332280 635474 390268 670922 252.1351@1.4030237 1 1 56604 1 48672 1 1 1 47652 1 1 1 84112 1 34266 32514 52290 1 30485 64547 1 121632 1 1 1 46259 49480 1 1 1 1 1 1 1 1 1 1 C23 H42 N2 O3 18944 48046 46534 67079 121499 33413 45909 27707 71449 47546 18666 20851 33762 62313 32877 30394 53596 22669 44912 36721 55350 50846 67622 37049 35706 19761 30797 17400 38889 43166 47076 57951 19687 20932 33991 44021 22018 247.1785@1.4124978 1 1 12638 1 7801 1 1 1 13291 1 1 1 17736 5086 11722 1 1 1 1 17521 7578 1 1 1 1 1 18379 1 8039 1 1 1 1 1 1 1 1 639.528@1.4363276 1 1 29281 25507 17129 25866 1 1 48525 1 1 1 1 1 1 1 8589 1 1 1 1 1 1 1 15972 1 22134 1 1 20353 1 1 1 1 1 1 1 142.1095@1.413 1 1 17598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.3132@1.4236064 1 1 3610 1 23288 1 9791 1 8284 1 1 1 1 16559 1 1 1 1 8356 1 10188 1 10994 1 11680 1 1 1 1 6122 5119 1 1 1 2574 1 1 C15 H32 O6 + 1.4153607 792953 1091805 981811 621356 874406 841925 968872 718006 801233 842048 956377 871245 1018078 587928 922649 920324 755166 1012427 700166 804136 624385 740277 750264 738420 726422 932314 781427 885394 815305 855021 874265 848603 913265 753682 938474 980426 719040 467.3818@1.4299264 1 11031 21196 89338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27888 1 1 1 1 1 1 1 16049 1 1 1 1 1 12033 C7 H7 N 11133 88297 54760 1 1 83379 1 1 97216 162830 81100 35903 42360 52988 1 26998 111042 1 1 77262 54504 1 1 1 120815 1 10741 346763 23842 12474 78272 56015 2941 1 93304 1 1 697.5359@1.4407479 1 1 8107 11731 1 9211 1 1 1 1 1 1 3628 1 1 1 1 1 1 1 1 1 1 1 1 1 9783 1 1 1 1 1 1 1 1 1 1 11-amino-undecanoic acid + 1.4218489 12201 18790 19802 1 18424 15036 20623 19326 17589 17858 47552 8696 16983 15178 1 17465 20100 21563 14738 17494 12743 12911 13939 17734 25535 24377 18445 18931 18260 13452 14373 1 9174 14128 1 1 1 Poloxalene 41802 158037 279808 1 80429 230850 132375 1 1 1 90314 150885 153668 89860 129557 43613 59480 74531 44581 40346 114531 94991 32055 71414 38984 30349 80548 1 22359 16645 82098 55790 76494 71452 89056 26294 80614 324.0876@1.428 1 1 2376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C12 H23 Cl N6 O2 1 46871 26439 1 1 49308 1 1 28993 47474 1 1 1 13532 1 1 25238 1 1 29186 1 1 12024 40712 1 1 1 73211 28391 1 78339 39007 23787 40675 41152 1 1 C27 H57 O S2 115482 1 8648 29805 252813 6379 9764 14967 6869 3692 4154 1 9890 9801 118157 11770 12204 20780 1 2864 7249 14354 31825 6208 7140 163006 153983 1 1 34697 11068 3816 2273 5069 4241 22399 13851 410.1756@1.4533911 1 1 16456 9288 1 1 1 1 15860 18410 1 40177 17447 1 1 1 15843 10086 5994 18795 2857 1 1 24150 26069 1 1 9485 1 1 1 1 1 1 1 1 1 432.157@1.4332758 1 1 4006 3490 1 4526 1 1 1 6097 1 1 1 2353 1 1 1 1 1 1 1 1 1 1 1941 6244 1 1 1 1 4241 1 1 1 1 1 1 C10 H19 N8 O2 1 76590 79125 1 87700 84414 123544 72395 1 97724 76165 57498 127987 125251 65705 54078 97930 1 70279 66817 76550 1 182423 100627 114075 86707 105244 76491 72688 1 109489 88281 30240 94068 1 82139 49375 807.6566@1.4376022 1 1 3608 2449 16501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.1832@1.433 1 1 5079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C14 H30 N5 O 1 2590 12021 1 1 4121 4640 1 6025 1 5622 4561 1 1 1 1 1 1 1 1 1 2674 8850 1 1 1 1 1 1 1 6366 1 11561 1 1 3249 1 C18 H38 O7 + 1.4355944 123287 259185 236680 184418 236863 162448 208460 161314 167085 198609 183538 206775 250405 208114 209808 218339 209752 264199 203484 160001 199067 163201 233191 148767 227110 168549 174994 230022 167612 265756 182506 186658 217627 173629 282931 291990 148440 C25 Cl3 N4 O7 1 7402 10999 1 1 16320 1 1 1 14526 20588 1 4140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10552 1 1 1 1 1 1 1 1 1846 297.1787@1.4533364 1 1 94798 1 1 66697 1 116050 97945 154110 1 95986 127058 166745 131245 1 154312 107432 1 1 153229 1 197749 68684 1 128163 1 98319 126428 45767 158708 125140 75174 1 1 1 1 C22 H40 N2 O3 27277 62773 68294 88187 189791 53215 98227 35108 94756 58213 26543 55273 48946 99302 30707 41287 76618 29573 77613 45077 84805 85607 102423 53213 46452 55908 43343 23848 46585 56260 81338 72038 39936 34673 46187 58828 43859 452.361@1.4394029 1 1 27894 1 1 9305 17855 1 33231 1 13047 13422 23919 24222 1 1 1 6026 1 1 12769 14192 28104 1 1 1 1 68164 15941 18006 1 10173 1 1 22261 1 1 395.2661@1.4675807 36944 1 13785 1 1 2640 1 1 1 1 1 1 20318 12745 1 9924 12397 1 1 1 1 1 10614 1 1 33231 21144 1 8043 1 1 1 1 1 1 1 1 C13 H32 N3 S2 81731 1 131384 88477 86615 90270 178447 143117 1 84372 138219 133115 94012 137131 84548 140523 41102 75439 138831 64857 1 106887 123053 212676 105616 100772 75681 71324 82083 77967 76530 92648 1 88897 101964 72621 103472 164.0693@1.4415498 1 1 28287 1 1 1 1 1 1 1 1 1 1 15684 1 1 1 16148 1 1 1 1 14370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C31 H59 N O9 1 70141 98748 66915 71261 66290 72114 54128 161247 77654 88417 70896 64505 47280 68306 52818 53646 58619 1 70551 59935 77888 1 61448 1 63329 64306 1 1 81609 69057 53568 1 57184 47239 52857 50536 611.4971@1.4903351 1 17983 30566 30966 1 25081 1 1 62229 1 1 1 1 1 1 1 1 1 1 12727 1 1 1 1 20074 29089 1 1 14838 1 1 1 1 1 1 1 1 426.2587@1.4426202 27515 1 20680 1 52420 1 1 1 1 1 46054 1 1 14176 33346 23653 21773 1 34163 1 1 1 1 1 49733 1 1 1 1 1 8456 1 1 1 1 1 1 Glucosylceramide (d18:1/24:1(15Z)) + 1.4387408 1 1 11167 8812 1 5667 1 1 8167 1 5070 1 2630 9412 1 1 3927 3977 10555 6821 7117 1 1 5289 2777 4148 4103 3070 4250 20372 2789 1 3832 1 1 1 1 369.2381@1.4220941 1 1 22577 1 1 1 1 1 1 15382 1 1 1 1 1 21415 1 17930 39495 1 1 1 30904 1 1 1 1 1 1 1 1 26322 1 3540 1 1 1 199.0304@1.4476855 1 6994 10614 27711 1 1 15416 1 1 1 13047 1 16100 1 1 1 10243 7172 1 1 1 13403 2853 10019 2850 6917 1 1 15175 1 1 1 1 13244 1 1 28510 Cinnamyl alcohol + 1.4422443 1 1 29998 15030 16920 1 19174 1 15849 19401 21844 1 1 17779 1 1 1 1 1 1 1 11515 1 19285 9188 1 1 11247 1 13629 20208 18204 1 1 1 1 1 810.6764@1.445 1 1 4247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.3296@1.4570276 1 1 33033 1 1 1 1 1 67727 1 1 1 24591 45074 7474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 888.626@1.4506489 13208 5364 10405 1 9861 7624 14486 1 12780 11861 20731 19321 17707 15386 12599 12269 1 6022 1 9904 25677 4305 17262 5208 1 4541 4301 15675 8093 1 9377 23548 13535 14732 2032 12047 20755 Sesamex 104159 104074 181822 94267 80680 113850 82725 65251 156374 131612 36223 69159 113768 125098 63622 88679 134756 86883 65681 1 112897 1 95093 120405 1 97309 1 96674 55074 82766 156680 138957 40621 25248 73084 90892 52515 123.0348@1.4523035 1 30974 38712 1 1 1 1 1 1 1 41550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47307 1 1 1 1 42948 1 1 1 1 1 L-Methionine S-oxide 1 73455 70024 26243 51887 25417 40477 26559 1 59250 40742 19860 42850 1 24867 1 1 23188 1 28288 1 70942 26100 21695 29661 57700 82884 41444 1 1 38427 73127 1 33843 1 1 23648 C28 H45 N2 S 1 49264 33632 1 45969 21397 32434 26982 25830 22611 32516 35709 51420 45701 29710 35321 32885 43575 39323 23532 49070 22249 39918 29227 39562 29039 30462 32172 20733 1 29088 26167 34389 27455 45939 50572 25136 C24 H46 N5 O2 + 1.4477767 1 1 9763 22663 25682 7802 7148 1 1 5393 1 4444 5493 18551 6092 1 11347 4346 17339 1 12808 1 25979 5453 9256 1 1 5310 6586 7230 10401 6407 1 5999 6194 11078 1 Capryloylglycine 87186 239872 270981 361771 259802 223806 295126 233182 301818 178463 253315 148493 283287 371523 131994 298942 322248 302917 211171 224932 263127 330230 269242 129275 217833 345958 275892 261929 190848 270407 292816 285199 135703 117702 263872 265869 261647 112.0272@1.453555 5722 1 6135 1 1 1 3641 1 1 1 1 1 1 1 1 1 1 1 1 8519 1 6492 1 1 1 1 1 1 1 1 1 4648 1 3259 1 1 3034 C9 H12 Cl3 N2 O3 S5 1 1 29617 1 1 12395 2997 1 38971 7674 43641 6566 4182 29433 1 8941 33425 4131 1 1 5165 1 1 1 1 1 1 23587 1 1 7809 7227 1 1 1 1 1 875.9089@1.457 1 1 4711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.5952@1.457 1 1 2672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.1307@1.4578391 1 1 26473 29620 27907 1 1 1 1 24658 1 1 1 35487 1 28661 1 26679 1 25217 25242 1 1 26800 1 30008 23572 1 1 1 1 19869 1 1 18694 17171 19622 (23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid 1 8116 8635 1 1 12625 1 1 17835 1 7003 18866 2061 1 1 1 1 1 9347 11459 25811 12362 1 26648 1 1 1 21586 1 1 1 21269 1 1 1 1 1 606.5442@1.4685904 1 1 7671 1 1 4478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4175 1 1 1 1 1 1 346.2135@1.4164741 11859 1 11405 1 1 15392 9185 12594 12772 1 1 1 1 1 26069 9611 18318 1 1 4267 1 30246 1 21363 1 1 1 18036 1 1 17222 1 12367 1 1 1 1 1021.5897@1.4562316 1 1 6674 1 1 1 1 1 9125 1 11874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465.8054@1.4573964 1 1 7050 1 1 3981 1 1 8733 3781 8375 1 1 7443 1 3181 6300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C17 H2 Cl2 O2 S5 1 1 7456 1 1 4039 1 1 13490 3747 7630 1 1 5671 1 2856 5523 1 1 1 1 1 1 1 1 1 1 5712 1 1 1 3948 1 1 1 1 1 3b,17a,21-Trihydroxypregnenone + 1.4572551 15776 23427 42535 1 14712 39115 1 12235 60471 50478 37668 38613 54967 25463 14672 19499 1 11201 20596 1 70589 1 34924 30482 19557 19649 1 1 1 4552 51421 25934 69352 14718 72230 26475 13301 590.2951@1.4653131 1 1 18240 1 30437 1 1 1 1 1 1 1 1 1 1 1 1 1 2595 159361 66015 19224 1 18496 1 1 1 1 13871 1 1 1 1 1 1 1 1 n-decanohydroxamic acid + 1.4612739 18031 19941 20331 24296 32603 20084 31332 1 21764 23542 23163 9513 20494 1 18520 15528 28402 30220 1 18034 17526 1 26562 18771 1 26519 19205 22342 22024 11883 22757 1 9128 15031 16326 20541 24117 681.6266@1.465 1 1 2612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.3504@1.4646593 1 11325 10574 23249 22216 5489 11400 5522 11972 10831 1 5098 8503 18327 4603 1 12387 3677 20565 1 1 9718 27270 6909 7628 1 9423 28808 1 5973 12278 9224 10928 1 4683 11541 4544 247.1782@1.4628191 1 1 7422 1 1 1 1 1 1 1 1 1 10178 1 1 1 1 1 1 1 1 7984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.1912@1.4671305 1 1 14567 1 1 1 1 1 1 1 1 9570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.4814@1.469 1 1 22146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C9 H19 N O2 12602 14911 23142 19463 10446 13307 10139 1 1 1 43664 1 7216 8510 14041 1 22977 20997 17430 1 1 18208 5200 12325 15735 8514 1 1 1 8413 1 1 1 1 1 15900 20170 312.2403@1.4799267 1 1 24309 25230 22776 12997 1 1 19429 1 1 14714 1 20931 1 1 14763 20379 1 1 1 1 20804 1 1 30510 1 20306 1 1 1 23485 1 1 1 1 13658 C21 H38 N2 O3 1 44623 31605 59904 96220 35631 54028 1 53064 41598 29081 30068 30719 53271 18899 26162 52059 1 37004 28061 46163 47435 52005 35203 25241 1 29683 1 27380 37942 49903 43726 1 22721 25065 28800 26943 265.2036@1.473 1 1 3875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.1447@1.473 1 1 20973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C8 H18 O4 + 1.4758905 1 94695 242244 1 1 110516 79243 1 1 1 59073 89816 103571 52224 174138 1 1 42020 76212 42738 92393 61217 1 44406 50960 1 67723 35673 45841 1 73772 1 50209 49609 73925 1 84220 C15 H30 N2 O2 1 1 9676 11095 14746 1 1 7385 7780 1 1 1 11760 12476 1 1 1 12544 1 1 6894 12451 1 6129 1 18235 7661 1 1 1 8178 9883 6766 1 5021 1 1 Glucosylceramide (d18:1/16:0) + 1.4790593 22879 25553 38919 30552 48030 19365 34317 1 41906 17948 22243 28803 28536 26116 1 25652 1 26856 31366 1 21583 1 22597 24605 1 18123 1 26898 21202 26776 1 13401 24150 11491 1 25562 1 184.023@1.486836 1 1 28888 1 1 1 1 1 1 4804 1 1 1 1 1 7671 1 1 1 1 1 25014 1 15358 1 1 1 1 1 1 1 1 1 1 1 1 8728 C12 H14 N4 1 54360 45757 1 1 29977 65633 36321 1 27632 1 1 25538 42569 40966 1 1 1 1 1 1 1 1 1 1 1 1 15262 1 1 50495 30777 1 91019 45798 34602 56955 318.122@1.477218 1 10396 4905 1 1 1 1 1 7407 1 1 18821 17575 1 1 3344 1 1 1 8279 7520 1 1 29384 1 1 1 1 10236 1 1 8036 5267 1 3431 1 1 653.5073@1.4873004 1 1 3752 7099 1 1 1 1 14378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4945 1 1 1 1 1 1 1 1 1 1 129.0789@1.4890498 1 139102 121670 1 1 102388 98581 1 1 1 72542 88943 87001 1 56815 1 1 1 1 1 59145 67923 1 57012 1 1 1 1 1 1 1 1 1 1 1 1 1 C21 H47 Cl N3 O2 1 14009 13772 1 34851 9555 1 7638 20100 11018 1 10691 10173 24833 6458 6926 15678 1 19132 6901 18958 11804 27869 14426 11134 1 1 1 10762 11304 13976 16038 8506 4058 8705 14079 1 355.2209@1.5061167 1 26965 61550 59239 71734 1 67031 30597 1 69013 67284 50081 63807 62022 1 17053 58255 48454 52646 1 64632 38098 88221 65240 50244 1 40132 28431 53740 1 54254 1 32176 1 1 56931 1 424.3306@1.4944581 1 1 5124 1 1 1 1 1 1 1 1 1 12612 1 1 1 1 1 20043 1 1 1 22311 1 1 1 1 1 1 1 1 1 1 1 1 17051 1 497.281@1.5690782 1 1 26573 1 1 1 171606 1 54999 122838 1 103159 1 1 1 125722 128390 107660 1 1 113154 1 222782 1 1 61517 1 1 1 1 1 82930 110276 139981 1 1 146165 212.105@1.5109209 1 1 25725 1 1 1 1 1 1 1 21105 1 1 1 28531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 754.5529@1.5571536 1 1 19325 1 1 22398 106153 1 44205 48347 1 136346 61013 1 40698 1 1 38533 1 1 1 1 1 1 1 1 11333 1 1 1 1 1 1 53748 13199 1 88553 C18 H34 N5 O2 13312 39963 27690 52341 69963 26759 52968 10303 46964 31059 25807 26538 28341 52633 13778 24490 36895 15396 21936 19029 42856 52681 45729 27552 19610 19542 22085 1 20259 14413 39403 30517 16306 22493 17710 31207 26179 172.1103@1.523315 1 51557 57619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 577.4299@1.5199146 1 1 11863 1 11201 13373 1 1 20549 1 24381 1 17014 1 23540 1 26285 15129 1 1 1 6865 1 1 1 1 1 1 2922 1 1 1 1 14968 1 1 1 C21 H39 N5 S2 1 1 16420 18638 1 1 13503 1 17758 15509 22124 16184 15685 14888 1 13263 14992 10975 13675 1 17241 1 18819 13623 8844 14478 1 1 1 1 1 10565 1 1 13284 1 7577 251.1503@1.528 1 1 25405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C11 H8 N2 O3 S 1 1 72574 1 1 12592 6753 1 5788 27660 42904 13631 43865 10656 1 5154 16230 1 1 10117 1 27528 1 5560 1 1 1 10695 23441 1 39497 11735 9080 52258 47631 11961 18555 2S-amino-pentanoic acid 67948 230834 287639 60048 117450 251524 197609 52732 82665 66443 142247 179198 192696 118110 213831 86613 94017 107276 76540 90645 170463 161539 76280 123669 50809 102043 136896 56655 1 1 115580 99953 79773 100042 132396 40639 127006 Hygrine 23378 49192 34752 30340 30834 30753 33318 23195 42926 28884 30298 23393 27142 41413 30635 31556 34267 1 29449 23761 22490 34494 56101 21028 26666 38079 29115 43598 1 1 1 38790 14995 24126 26067 27107 1 225.1215@1.5357976 1 1 22224 313427 1 1 1 14315 20499 1 1 1 1 24235 1 1 24480 1 18157 1 30585 25469 21526 1 1 1 1 18790 1 1 1 1 1 15000 1 1 1 346.1214@1.543583 7000 13630 14070 6250 1 7666 1 1 1 1 1 1 1 12520 1 1 1 1 1 1 1 1 1 6414 1 1 1 1 1 4007 1 1 1 1 1 1 1 418.1845@1.546253 4246 1 8353 8018 1 1 1 1 5349 6889 1 1 1 1 1 1 3250 1 1 1 1 1 6553 5194 1 1 1 1 2904 1 1 1 1 1 1 3247 1 3-Hydroxysuberic acid 22696 1 43977 460051 1 23506 28193 21774 25598 1 1 17986 1 34950 22990 1 29582 27371 25067 1 1 1 31207 1 15001 21867 31374 24052 1 1 1 1 10818 1 1 17895 19071 419.1421@1.5479474 8239 1 4745 6716 3976 1 1 1 6812 6952 1 4351 1 1 8283 1 7342 1 1 1 1 1 1 6177 8533 10043 1 4835 4970 1 1 1 1 2637 1 5555 1 216.0498@1.5349039 26506 1 11214 1 1 1 1 1 1 1 1 1 1 1 17884 1 1 1 1 6071 1 1 1 1 1 1 20210 1 1 9731 1 1 1 1 1 1 1 KAPA 300853 399613 393752 375179 197898 352700 226216 283320 504375 373713 213918 110660 330380 522875 314795 224308 417229 308101 404694 304906 163682 382875 506110 308766 177697 327714 194742 560315 238446 357408 539490 478242 113526 150610 314027 346159 174990 341.1655@1.5381052 1 1 16116 8045 1 1 1 4552 1 13907 1 1 8697 8278 8816 1 1 1 1 11546 1 10227 8046 8194 9788 1 11737 1 7032 1 1 1 1 1 1 11801 1 270.0577@1.5355291 24262 4607 10670 1 5896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5423 3596 1 1 1 1 1 17761 1 1 12654 1 1 1 1 1 1 1 87.0321@1.534199 1 1 15469 7648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Bryotoxin A 1 20958 20938 16375 1 15456 12900 7106 20607 25599 19266 10343 15804 1 13718 10851 18114 11525 1 9414 13454 8324 13054 22155 1 17090 12546 10132 10578 1 28466 11659 1 2980 5786 9653 1 256.2148@1.547007 1 1 20649 1 1 1 1 12860 16725 1 19570 1 14496 13532 1 1 1 21202 1 1 1 28216 13632 1 1 29487 1 1 1 1 11337 1 1 1 1 1 1 193.0958@1.539 1 1 48351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C16 H27 N O S 1 38239 52977 46157 62623 44271 62280 1 60544 64277 1 67246 66213 63405 46529 53906 56135 46270 35641 1 1 1 1 49609 53559 40219 50387 1 1 1 49646 44925 36016 43004 1 1 42375 539.4393@1.5406966 1 1 20165 74932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.1237@1.525371 1 1 162192 151868 1 1 1 1 1 1 168726 1 144419 1 1 104665 151124 1 1 128151 134769 171468 1 161392 28385 1 34479 1 1 1 1 1 1 74939 1 1 1 C37 H26 N14 O4 1 1 6221 1 2513 4063 4243 1 6125 5276 1 1 1 2666 3287 1 1 1 1 1 1 1 1 7511 1 6281 1 2212 1 5294 8505 1 1 1 1 1 1 C4 H5 N O S 4735 64288 63544 1 16269 39116 16196 1 1 1 22371 20525 17871 13066 20707 8141 11744 15765 8749 1 16324 18369 8646 1 1 8251 10583 7040 1 1 11076 12741 12773 11342 15795 1 1 C22 H40 N2 O3 + 1.5490807 6180 18274 16229 24189 45074 9773 29372 1 25263 19902 1 16928 14025 33601 11072 11034 20703 8004 30376 10908 23605 11176 38145 19037 21092 14591 16826 1 15559 14587 21894 19394 14189 13827 8552 23016 9950 Cinnamyl alcohol + 1.5503812 30732 54793 72223 58747 52042 46952 57775 33156 79099 72349 1 59077 66632 51325 62854 52395 55350 37078 34108 58138 54531 43913 60699 67053 46217 55167 56969 39675 40068 38236 64714 50279 1 39395 34951 39954 31896 Sesamex + 1.5498425 422741 382197 272578 235562 290883 347014 353500 224095 448119 439075 195575 287712 257687 317616 357508 124960 175354 270806 233291 171150 217384 1 303186 244447 309442 375988 330585 285988 260736 415420 413802 318280 143164 118099 206674 262527 196498 a-L-Rhamnose 63142 44960 66754 51563 60804 44097 51894 37685 60058 69369 38457 58054 57772 47473 62976 42501 46591 41816 1 1 56006 43610 41942 65436 49090 55896 51450 37441 37159 57934 66276 43339 22571 30351 24749 33766 35172 HPF 10850 12189 15084 12331 1 12440 3876 8388 15196 16642 17142 5560 7600 10556 12470 8300 12402 9442 6326 1 12212 1 12044 14211 9902 1 1 11861 1 1 15423 10624 3189 5521 1 7452 5255 C10 H22 O5 48314 154254 224465 65497 88466 253159 146385 134025 107285 100698 168514 126382 130976 102256 174397 97479 104365 83341 247088 176703 124540 143739 86932 83952 115258 1 150542 168748 110972 101604 112035 125075 96273 120638 98739 102100 125225 426.2063@1.5540903 12630 1 5528 9522 1 4272 1 1 5657 5233 1 1 12076 3841 10191 1 4741 1 1 1 6761 1 1 7438 4699 1 9114 4201 5827 4936 2982 5892 1 4678 1 1 5573 Sethoxydim 1 1 57410 1 69806 43964 1 1 66096 1 82104 58734 76170 66817 1 1 51312 59486 44789 59034 74400 67203 124886 85344 62040 51854 60443 65409 1 1 1 78418 1 62002 79589 53831 46156 208.1316@1.5610303 28903 1 100712 1 34249 71550 1 37557 1 1 41365 46068 1 19526 50194 1 13788 22530 24924 45309 1 1 1 1 1 1 61301 1 1 1 1 1 1 24747 1 12794 51509 C21 H33 N O6 S 44384 6431 22301 36294 20667 18399 38687 18232 31287 26149 14286 38970 58825 19756 49927 15191 23836 12984 7679 20655 31735 36954 18518 29838 20255 30357 40555 1 28282 28442 19098 27438 11028 22090 12715 17944 26059 C19 H24 N6 O4 S 42199 1 30608 39669 16840 22657 30307 21506 27974 25405 21027 1 50483 16025 35705 12050 19637 11909 8233 20739 32910 34553 19240 33282 1 21410 27843 19017 27722 28903 20631 28863 11979 19035 14599 20067 16010 424.3312@1.5738764 1 1 4842 1 1 1 1 1 1 1 1 1 1 11880 1 1 1 1 7615 1 1 1 16697 1 1 1 1 1 1 1 1 1 1 1 1 7469 1 874.2608@1.566 1 1 2619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C31 H24 N9 O3 7103 3011 7121 5787 1 7429 1 1 9048 1 8348 1 14490 1 10778 4152 1 1 2051 1 8922 1 1 1 1 1 1 4956 1 1 8387 5144 1 6597 1 1 1 1168.3329@1.5752056 1 1 7746 1 16133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.1063@1.575829 5304 1 8653 7296 1 1 1 3651 1 1 1 27975 1 1 6328 1 1 1 1 1 13620 17448 1 1 1 1 1 1 1 1 1 1 1 13405 1 7119 1 252.1219@1.6066027 1 1 38277 492478 1 1 44988 1 1 1 1 25926 1 37176 24506 1 1 37582 1 1 1 1 44673 1 1 26303 1 28088 1 1 1 34069 1 1 1 1 20438 1023.2957@1.576276 1 1 3590 1 1 1 1 9865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.0781@1.5750086 1 1 59109 1 1 1 3369 1 1 1 1 1 1 1 1 1 1 1 1 1 3001 58110 1 17322 1 1 1 1 4273 1 1 1 4751 1 1 1 1 205.0221@1.5731872 1 1 30952 8213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C3 H8 O6 1 1 110165 15156 122018 1 24154 1 39392 1 1 39511 1 9574 1 1 1 1 1 152197 21081 119409 11555 65700 10879 1 1 1 1 1 1 47553 19301 1 19434 16183 14635 683.5548@1.6076483 1 1 22197 24593 1 1 1 1 48107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 664.9943@1.5654522 1 1 2274 1 1 1 1 1 1 1 10197 1 1 1 1 1 8171 3245 1 1 1 1 1 1 1 1 1 5128 1 1 1 1 1 1 1 1 1 99.0684@1.5804135 1 3769293 2961341 1 851721 1791061 1014542 1 1003739 1 1 1040176 1 1082939 1525267 1 1211276 1227246 993313 1406469 1 1 884241 1 916064 1 1031087 1078806 896518 1 1 856535 804395 816207 967827 1 1 314.1265@1.5505073 1 23886 12410 1 1 1 1 1 1 1 1 1 1 1 12058 1 1 1 1 1 1 1 1 28375 1 1 1 1 1 1 1 1 8112 1 1 1 1 282.9644@1.5796199 1 1 7404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0284@1.5805875 1 1 7132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11811 1 8771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C17 H32 N5 O2 11634 23190 8509 1 24165 1 1 1 16765 14853 8583 7693 1 1 1 1 17065 1 17532 1 1 23831 25867 15971 1 1 1 1 1 12343 1 14932 1 7197 1 14976 1 C28 H13 N O3 S3 1 7889 39415 4493 19937 1 9188 1 16623 1 13740 11908 4689 1 4275 1 1 1 1 42500 8529 27966 1 17048 1 1 1 1 9447 1 1 19840 7534 1 6687 5007 15428 ?-Caprolactam 550035 3421668 3182084 458770 832745 2355696 1038936 366488 510743 453114 623291 1 1051562 947721 1682287 592796 702965 728875 334374 490749 984566 581034 676473 818420 413084 613390 611745 516988 433432 1 625059 868038 821103 825824 850351 416852 665205 703.0916@1.582 1 1 2298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0475@1.5818058 1 1 18822 1 1 9630 14777 1 1 1 1 1 1 1 1 1 7565 1 1 1 15551 21903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C36 H4 N6 1 1 13496 1 3468 1 1 1 10443 5104 1 10385 1 2409 1 1 1 1 1 1 5745 10280 1 6739 1 1 1 2568 6415 1 4410 4186 1 1 3043 2519 1 Thymine 168901 148346 571858 133674 251791 232387 401989 109167 389274 251502 361815 492271 381576 202705 368807 159973 208393 159497 119050 470583 307723 665533 138196 354093 105772 135866 122550 175907 227190 1 256015 250601 163310 379962 149187 140397 260995 C41 H13 N3 O2 1 1 7438 2638 1 4735 9036 1 7988 5506 5730 9666 8254 1 9308 3887 3855 1 1 1793 5929 1 1 1 1 1 1 1 1 1 5941 1 1 3303 1 1 1 324.004@1.5975038 1 1 7067 3197 1 3313 1 1 4455 1 1 1 4885 1 1 1 1 1 1 1 2479 1 1 1 1 1 1 1 2432 1 3115 1 1 1 1 1 1 C20 H5 N3 O6 9757 19704 9887 1 5411 16150 10652 1 14728 11687 10285 8045 16098 8829 10805 9216 8319 1 6693 1 9913 1 5138 9514 1 4952 6429 11388 7718 3549 10743 7774 10085 8198 6843 8954 6750 80.0262@1.6105705 1 6248 9410 1 1 1 10523 1 6681 1 1 18140 7790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3519 412.0836@1.6008236 1 1 15824 1 1 1 1 1 1 1 1 1 1 1 1706 1 1 1 1 17670 1 14490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C32 H16 N5 S3 1 1 13216 4545 1 1 6854 1585 9204 5565 8857 8401 1 2301 7943 1 1 1 1 9120 6172 11297 1 8562 1 1 1 2743 1 1 4048 5977 1 14995 3421 2884 7981 DL-2-Aminooctanoic acid 1 28213 16103 22902 1 1 46267 15517 1 21972 1 1 22500 25659 35799 20477 34048 1 22716 1 1 1 28727 22006 16984 20850 36877 29695 16178 1 1 27733 15878 26273 17357 25192 31163 Thymidine 141348 174732 523916 148428 164814 303615 321939 97208 1 321720 369183 366818 333682 188199 243144 161474 222808 127301 147715 355062 339414 497779 173078 372792 104790 68817 63485 280949 284766 1 286370 316130 236723 282269 244164 157237 155265 521.0246@1.587 1 1 7394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.1121@1.5881523 164438 1 15192 164945 225909 119002 141997 129473 113755 128663 256753 1 70565 61653 1 242011 1 45218 87411 1 123074 1 1 138932 132199 217588 1 1 48605 198327 214698 1 1 1 36332 144668 110143 280.0458@1.5849295 1 1 5536 1 1 1 2147 1 1 1 3112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3326 1 2914 1 1 1 3684 1839 1 C29 H13 N5 O 1 1 23698 1 1 10761 1 1 14323 8078 12346 11323 1 1 1 1 9094 1 1 1 7107 1 10525 14637 1 1 1 6115 11256 1 1 9661 5649 1 12141 8260 1 506.162@1.5858877 1 1 19022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7806 1 1 1 1 1 1 1 1 1 1 1 1 1 12252 1 7279 1 323.9674@1.5863137 1 1 17807 1 9583 1 3809 1 4164 1 7718 1 1 1 1 1 1 1 1 1 1 1 1 8667 1 1 1 1 2271 1 3958 1 1 1 1 1 1 C22 H8 N4 O6 6422 11017 6385 7070 1 8967 8238 1 8017 8244 7111 1 1 7742 8021 8129 1 8479 6543 1 6427 1 1 1 1 6339 1 6335 1 1 10158 3494 1 7557 5344 4569 1 493.1128@1.590819 1 1 7903 1 1 1 1 1 1 1 3250 3893 1635 1 34284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64288 1 1 35895 229.0411@1.6041157 1 1 264156 1 86924 1 1 1 4900 37974 1 1 1 1 231278 1 1 1 1 45631 1 206535 1 1 1 1 1 1 1 1 1 1 1 350023 1 1 256601 164.1048@1.5981152 1 111698 360420 1 45962 81107 74384 1 1 1 1 76680 119607 82177 247102 1 53865 65555 196942 90013 143300 41806 1 1 88613 54812 99008 119163 88466 1 89959 25886 32064 40231 101259 1 94010 88.0525@1.5981877 1 1 19901 1 1 1 1 1 1 1 1 1 16928 1 20019 1 1 1 1 1 15894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.0419@1.597 1 1 2031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C14 H31 N O8 1 64506 84837 166587 1 68823 90078 43739 82160 100556 76786 42721 98727 88708 65351 58648 86200 60024 77174 62351 99905 62037 131964 81138 88853 60479 85427 61207 69250 55244 87320 74687 31437 61514 85529 79634 50108 5-Aminopentanamide 1 21080 22055 1 1 20870 1 1 15229 15772 1 1 17012 1 17381 1 14052 1 16534 12980 14829 1 1 16679 1 1 15035 16597 14924 1 15929 16812 1 1 15503 14786 14740 C11 H21 N8 O2 34848 75167 87398 157390 70100 79170 79215 58414 86517 82385 91079 71565 75129 79790 68609 68303 73799 46191 57790 64827 83912 80724 96454 69124 57890 49673 72965 45638 55844 56077 82731 66172 31307 50692 1 64543 56429 C13 H28 O6 229050 351131 473048 365626 392834 369004 418864 316349 422134 373164 570487 422857 465846 424451 342886 310121 382685 314209 292803 313673 383639 431617 395524 389933 284984 347639 348383 280381 311207 188334 424154 326986 234284 274222 333638 317146 310424 207.0537@1.6342051 1 1 7532 1 1 1 1 1 1 12511 1 1 17460 1 21617 1 15594 1 1 45757 23646 1 1 1 1 19160 1 37610 1 1 1 1 1 1 1 1 12203 C20 H36 N2 O3 1 1 12387 24680 53469 18961 30122 8360 25304 14806 1 1 1 28723 1 9801 24780 1 29127 1 1 13273 36704 15998 11462 1 13597 1 12481 9100 26272 19224 10639 1 1 10082 17312 242.1992@1.6383109 1 1 30767 1 54753 1 1 28521 1 1 20361 14708 42840 1 29397 1 1 1 1 1 1 44345 1 1 25197 1 1 1 1 1 1 1 1 1 28771 1 32222 Indole-3-acetaldoxime N-oxide 1 1 86472 1 132227 1 82117 1 1 1 178098 1 215184 135913 1 107687 117954 1 1 1 1 356404 1 44647 101804 1 1 1 67003 16267 1 85313 1 66110 1 65169 24417 256.2147@1.6391042 1 1 10973 1 1 1 1 1 12195 1 1 1 1 15046 1 1 1 1 1 1 1 1 1 1 1 23647 1 1 1 1 1 1 1 1 1 1 1 655.5237@1.674741 1 1 26540 32779 1 1 1 1 64889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27654 1 1 1 1 1 1 1 1 1 1 C8 H26 Cl N9 20869 26033 35639 31348 41734 1 1 26888 31254 1 54323 1 1 27037 1 1 1 1 1 23279 1 35414 1 30816 10505 30775 1 19444 1 1 1 1 19451 22460 1 1 1 N-Valerylglycine methyl ester 61477 78701 99065 66880 36752 45398 64344 75567 58615 36932 39531 1 106515 66380 59553 63675 69673 48753 131747 1 28778 62116 53399 48396 50482 78169 107815 126873 72842 63248 62747 110580 19639 45540 112100 90811 50519 C9 H14 N2 O3 1 1 136758 1 60263 1 48311 40359 14361 19452 1 1 1 34524 31229 33221 28512 27512 1 1 1 114238 25362 18662 30768 38246 26160 17670 1 1 18553 50984 1 54056 25687 51704 28120 3,3''-Biflaviolin 8629 22421 23161 7452 10258 15292 15322 10411 17450 11970 13636 5036 15105 9090 13164 1 10173 8446 1 1 12406 13900 5312 1 5794 4741 1 1 13981 1 16906 12042 10902 11626 9106 7350 8556 552.0433@1.6573844 1 8555 7993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6810 1 1 1 1 1 1 1 1 1 1 1 7737 1 1 1 2''-Deoxyuridine 1 340845 58451 1 1 101740 90431 1 27622 1 102787 1 86633 1 71116 1 10714 1 1 119338 12764 192665 1 15099 1 19453 1 1 1 1 109810 1 1 80875 1 1 17966 597.0766@1.652191 1 1 5000 1 1 1 2483 1 3283 1 1 1 3355 1 3272 1 1 1 1 1 1 4068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C20 H38 N5 O3 1 1 24757 1 46859 9043 33391 1 1 12798 1 1 27078 1 1 14758 1 1 32101 1 29881 1 1 1 19929 24252 1 13011 1 1 42596 1 1 1 1 18170 1 C9 H8 N5 O4 26994 1 168121 32358 28639 1 1 28492 113669 70474 1 20012 1 27318 1 33813 39222 34487 27312 1 51713 1 23742 71054 19938 1 17923 55201 53987 9293 1 80869 59798 1 63635 36496 27731 Uracil 31752 98660 89695 21567 34316 44830 53710 22645 56123 41237 54620 31161 51908 25692 67782 26207 31174 26501 21125 62383 37173 94393 20928 33584 19197 19717 27690 35146 34695 1 48279 32648 29700 53277 26407 25346 36541 504.1281@1.6629562 1 7854 9599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3620 1 1 1 1 1 1 C13 H8 N3 15289 29934 31746 60544 75698 1 31791 1 32194 1 99729 1 81200 53188 1 36978 61914 1 1 1 1 86489 45661 1 60848 1 1 1 39397 1 1 44846 1 29064 1 32299 1 551.0709@1.6597849 1 3465 5523 1 1 2549 1 1 1 1 1 1 4083 1 1 1 1 1 1 1 1 3707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.0655@1.6613804 1 8876 7934 1 1 1 1 1 5254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5119 1 1 1 1 1 1 116.0479@1.6701937 1 14709 16049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C26 H9 N8 1 27050 28013 1 4095 1 6475 1 9628 7113 9912 1 1 1 1 1 1 1 1 12188 1 1 1 13251 1 1 1 1 5465 1 3982 13669 7765 1 4605 1 1 424.0439@1.6551827 1 1 5885 2585 1 4612 1 1 4875 3599 1 1 4893 1 4138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5825 1 1 2776 1 1 1 338.2301@1.6591543 1 1 119662 1 1 1 106628 1 1 1 1 103415 1 1 88740 1 105556 88085 11847 1 1 1 147222 117975 1 78539 1 36004 1 1 136456 1 1 88709 132603 14791 65760 C25 H5 O2 S 4431 1 9463 1 1 11193 6403 1 1 8113 9773 1 1 1 5136 1 1 1 1 1 1 1 1 5891 1 1 1 5576 1 1 10880 1 6856 4630 6334 1 1 597.4808@1.66 1 1 22004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.028@1.663 1 1 12940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.2117@1.672 1 1 5400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Decarbamoylsaxitoxin 15211 1 18963 14310 1 22570 18740 18484 20114 16899 22973 1 17518 1 1 19449 15846 17122 10751 16271 21747 13627 1 15974 17108 17388 16214 19713 18381 22229 17010 19849 16776 27270 20404 11326 19729 251.1737@1.6775106 1 1 15076 1 1 1 13325 10804 1 1 18201 1 1 8573 11552 12381 1 12268 1 17200 20999 1 1 1 1 1 1 14539 1 1 1 12697 8517 15748 1 1 10177 C18 H32 N2 O3 1 32338 18250 1 1 27877 61600 1 27204 25189 12819 1 1 1 1 11263 1 1 1 1 20879 32849 1 1 1 1 28237 1 1 14775 37903 1 14868 17754 1 1 1 232.0613@1.685758 1 1 6808 1 1 1 1 1 1 1 1 1 1 1 10736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0945@1.6826141 1 1 34450 1 1 58398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C15 H17 Cl N2 O S 1 7974 9172 1 4244 8917 11699 1 6260 1 6660 1 10813 1 11641 1 1 1 1 1 9634 1 1 5057 1 1 1 1 1 1 4108 3692 1 2796 2468 1 1 370.0234@1.69 1 1 2689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 L-Norleucine 142021 323786 462997 106392 177354 979416 404787 84341 138935 102653 380998 300571 397785 194520 398014 229204 151044 182399 144505 169759 322481 389142 117964 295558 102520 175333 207893 109235 96180 106830 281362 181840 193443 296207 252353 98851 271667 232.1282@1.6944205 1 1 22307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14370 1 1 1 1 1 1 13967 1 1 1 1 1 1 C9 H17 N8 O2 20656 29535 32963 1 31312 32447 48264 23985 37603 39981 40831 40301 45201 49034 28619 25501 30716 1 38651 30734 56205 28281 1 35713 40049 48230 21114 40615 49146 26036 42581 19524 30675 35265 25735 28386 1 1-Phenyl-2-(diethylamino)-1-propanol 1 13504 15377 14327 11569 17593 1 1 17150 11969 17403 15993 19250 1 1 1 1 14803 1 1 1 1 13315 17536 1 15451 1 1 1 15166 15986 1 1 1 22697 1 1 157.0892@1.6569346 1 28618 35137 1 1 63413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C11 H24 N5 O 1 21688 33469 64019 68733 1 1 1 41102 1 32641 32326 1 1 24351 1 45968 50647 70556 34902 1 43731 1 31399 43364 1 38295 1 54165 33483 1 1 1 1 1 1 1 518.1072@1.704 1 1 4004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.1791@1.610298 1 1 2459 1 1 1 1 1 1 1 9889 1 1 4871 1 1 1 1 1 1 1 1 1 3880 1 1 8148 1 1 1 8422 1 1 1 1 1 1 C30 H43 N2 S 3388 10715 22201 1 1 1 1 31572 19589 20336 14759 21453 17652 24395 21305 17339 13808 13135 37623 1 31161 15885 48937 26096 12971 9406 1 14187 10764 12677 19391 19763 1 1 20243 15979 17051 244.0699@1.7097486 1 1 122084 1 40492 1 1 1 1 1 1 49667 1 1 23453 1 1 1 1 37394 1 148569 1 1 9352 12035 1 1 1 1 1 1 1 1 1 1 1 C11 H13 N O2 S 29962 19686 53640 1 40179 39698 25188 14007 18826 48176 160931 23494 114073 64882 13788 63091 201484 227088 46019 69463 15984 1 118886 1 208203 1 25216 79896 31592 21051 29507 22974 1 52365 57794 30164 35301 85.0526@1.708664 1 1 93424 1 1 1 1 1 71894 80504 31509 1 1 1 1 1 1 66106 1 84571 66010 1 1 92859 1 37007 1 1 109405 1 1 1 1 1 60102 1 1 205.0218@1.709 1 1 6404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.0839@1.7189667 3945 2899 15493 1 1 1 3615 1 1 1 1 4678 1 1 1 1 1 1 1 6059 1 11654 1 2819 1 1 1 1 1 1 1 1 1 1 1 1 1 Uracil + 1.7113016 24493 15902 60662 1 40403 19772 29661 6935 17836 11792 1 25356 22874 1 1 13080 19493 1 5493 70149 25691 98606 11359 1 8464 20997 1 7653 16482 1 15088 1 9890 11425 13403 7871 1 427.1088@1.7122204 1 1 18818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C10 H24 S2 1 129655 278353 94471 87732 266429 173901 200049 128840 92552 172723 134963 120976 161976 195475 61849 139215 95624 431649 187880 169410 127419 123765 64798 137632 95037 198552 261352 108097 75168 155675 98781 64277 155928 71817 112406 130606 C33 H2 N2 1 1 8509 1 4593 3484 1 1 3359 1 1 3695 3925 1 1 1 1 1 1 1 1 7282 1 1 1 1 1 1 1 1 1 1912 1 1 1 1 1 583.0622@1.7116374 1 1 4544 1 2499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C8 H19 N O3 S 69046 1 82122 48921 1 25337 1 26658 43834 52288 1 18573 74764 26591 32709 1 23984 29152 26366 76721 49545 95812 26440 91451 1 68848 39358 40641 54023 25884 38534 55315 29999 36053 37030 31300 39927 C8 H22 N9 S2 1 20974 25702 18654 1 1 1 1 1 1 19150 1 1 1 16848 12741 1 12947 13154 1 1 1 11181 1 15942 26045 1 12729 1 10552 1 1 1 14208 13089 12036 15050 C15 H8 Cl N7 S2 7152 1 13404 1 7952 1 1 1 1 4391 1 6841 1 1 6544 1 1 1 1 1 1 11897 1 4756 1 4948 1 1 3364 1 1 5357 1 1 2220 1 1 C22 H17 N2 66775 50755 58379 46137 58591 24959 58013 25504 44018 47590 51770 1 56085 20368 49786 26028 34449 35689 30684 72110 46859 65344 22146 52643 43602 1 32472 30433 48284 19783 32121 32710 28284 31421 29066 40538 37781 242.0676@1.723166 1 1 5252 1 1 1 1 1 1 1 1 5915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213.0666@1.7195632 28960 28816 27599 24045 1 10000 17286 13367 19578 1 1 1 25830 1 13569 11013 9489 1 12259 23327 1 25727 1 1 12630 24822 16529 13475 17396 10154 1 19973 12575 17508 21081 12619 19508 2,4-Dihydroxybenzophenone 117532 123890 114786 97418 63501 38728 68082 57735 88295 98760 82492 27893 115056 41896 54044 37739 1 56362 57233 108764 78930 105185 38300 122607 49818 109983 58910 65056 76609 44975 66582 92070 59077 74913 75422 51834 78055 100.0332@1.7219099 1 10561 3521 1 3517 1 1 1 1 1 1 1 5099 1 1 1 3340 1 1 1 1 1 1 1 1 4868 1 1 1 2066 1 3385 1 1 1 1 3160 C8 H17 N4 O9 1 1 19348 15628 9571 8248 1 11073 1 1 13877 1 1 1 9847 6386 8597 9399 1 14407 11152 1 1 15183 8936 1 9093 1 1 7347 1 12275 1 1 10813 1 11522 1084.2908@1.7244831 1 1 4566 1 1 5770 1 1 1 1 6816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (-)-Epinephrine 66688 1 36049 1 74102 1 82794 34353 1 1 20493 1 1 28691 101722 29850 30625 91813 1 1 1 123351 34368 1 39515 274376 146544 1 1 1 1 20997 1 19580 1 78247 78217 1158.3073@1.7235371 1 1 8849 1 1 9932 1 1 9717 1 7543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C11 H18 N6 O S2 40734 40325 43392 36601 22370 1 31299 25348 28812 30419 1 1 34476 18047 26849 16747 19451 1 18528 31438 24736 39488 13418 1 18859 35360 22268 21303 28055 17513 22613 27169 21198 23888 1 19852 25996 79.0419@1.7315385 1 5102 5429 1 1 1 1 1 1 1 6838 3455 1 5624 4361 1 1 6287 1 1 4051 6678 1 1 1 1 4176 4553 3246 1 3252 6487 1 1 1 1 1 C17 H29 N8 8692 1 34207 16108 28430 23444 17985 27287 20372 18742 27319 18018 31319 15661 1 1 21161 24324 21414 23385 32852 19230 1 22962 30894 1 1 19546 17315 36935 15592 23497 11697 29212 26666 18304 21009 1306.3475@1.7264739 1 1 6367 1 7963 8525 1 4997 9757 1 5970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4999 1 1 1 1 Diltiazem 5648 7042 9145 5177 1 1 6457 1 10201 5896 6944 1 7416 7020 6867 3918 1 7479 1 8811 8174 13110 1 4762 4914 11080 5093 5556 5321 1 5476 7791 1 7275 5377 1 8462 1232.3281@1.725902 1 1 7985 1 8411 10007 1 8042 7626 1 7418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4704 1 1 1 1 132.0787@1.732821 1 27722 53903 1 1 58498 32011 1 1 1 43049 38468 35246 1 36600 1 1 1 24887 1 35246 29378 1 1 1 1 22920 1 1 1 23499 19561 17921 24610 1 1 1 Niacinamide 4389152 7244367 7283697 3904029 6721365 3759406 5164536 2992815 8892016 5912447 7860590 3863525 6678772 8453567 6605933 5071513 6240048 6894661 4780576 5805216 6575283 7992560 4868724 3859021 4066632 7716976 5527114 6403725 3768317 1804610 5475837 7586492 3941666 7465038 6069067 6389831 6833800 C6 H14 O4 + 1.7318975 533915 1117843 2301885 971066 970566 2517282 1527922 420777 541403 398997 1250820 1317604 1274305 735702 1525905 708948 658551 673688 647743 491184 1176055 1286565 309116 773852 387002 682070 981271 519988 367331 299389 1020354 877377 658446 885588 770027 488724 819062 271.0727@1.726873 1 1 5505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6867 1 3775 1 1 5345 3007 1 1 1 1 Butyric acid 25854 69120 130829 59727 62025 1 89309 22702 34077 1 79371 1 81558 47037 96365 45703 1 43334 57405 29202 1 1 1 52555 26195 45644 1 1 24445 1 59902 54864 38813 1 46912 30666 53410 2''-Hydroxydihydrodaidzein 9230 7781 23898 11452 16051 8596 1 1 1 8660 12186 8107 10338 1 11107 9516 15295 1 1 6466 12831 22290 1 18755 7532 9098 34333 10140 15847 4600 8312 23266 12155 8229 9852 5761 1 371.1046@1.737 1 1 2786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N-Hydroxy-1-aminonaphthalene 1 53861 69937 12774 9623 33095 8019 1 98275 47980 69796 50155 91136 57749 1 21965 42521 1 1 14161 82033 53783 27786 43366 1 1 1 45899 29880 1 55558 100818 67359 54068 42203 26725 1 235.1571@1.7488227 48521 1 36035 21969 1 1 50065 30479 1 1 1 41477 58789 1 1 1 1 1 1 1 28262 17665 1 28260 1 30174 1 1 47477 1 1 15153 1 1 24906 20863 1 398.1695@1.7411406 1 1 7475 1 1 1 1 1 9364 5253 1 1 1 13043 1 1 7966 7633 1 1 1 1 6138 1 6717 1 6963 9364 1 1 6541 8719 1 8756 1 7524 7943 409.1753@1.7320526 1 1 3534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3,4-Dihydroxybenzylamine 1 1 71594 1 1 1 75244 59115 1 1 59210 1 44032 54866 28862 41399 49507 49308 19169 1 1 1 30265 1 35003 46922 39274 1 1 1 1 1 1 1 1 51014 44157 C16 H30 N5 O2 1 38658 16565 1 59866 36786 48792 1 24235 23865 1 1 17367 1 1 1 1 1 36012 11770 10812 14717 1 14009 1 1 1 23924 16217 1 35552 22779 18677 14390 26059 15077 21600 613.4763@1.7572063 1 1 56702 1 148460 51612 39783 1 68029 1 1 71322 1 82473 1 1 1 31401 1 34672 1 1 1 1 1 36826 58481 90239 70725 41775 1 1 1 1 1 71022 1 C13 H33 N4 O S2 1 1 46716 41432 1 30259 1 22109 35909 32827 44138 1 52431 41218 28974 33894 43314 1 28178 48267 49729 1 51605 11178 1 1 28887 26335 25597 19410 59887 32472 1 1 56565 23764 1 211.1212@1.756 1 1 23667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C19 H22 N10 O3 1 1 10854 1 1 9716 1 1 14005 12583 1 5245 7215 1 1 1 1 1 1 16905 8908 1 1 21424 1 1 1 11725 1 1 9196 1 1 1 1 1 1 4-Nitroaniline 86687 342822 182930 543440 240880 268863 1636283 182877 261155 166002 268120 307780 219941 190925 203279 86169 267260 364686 162143 118513 119219 229503 701173 205921 196510 461941 264442 164755 222167 1 281362 106709 131236 321124 148189 145715 264911 Lys Thr Trp 1 1 15145 1 1 17512 1 1 22844 1 17207 1 10975 1 1 1 1 1 1 17723 11308 1 1 31110 1 1 1 20444 12495 1 11435 2926 6251 1 1 1 1 262.1435@1.769043 1 1 15461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14663 1 1 1 1 1 159.0897@1.7722211 58915 1 19767 1 1 56481 1 30300 1 1 71327 1 1 1 1 63518 61804 1 93140 1 1 1 1 1 44977 1 82082 1 1 1 1 1 1 1 1 52982 1 683.5545@1.7690859 1 1 15926 28731 1 1 1 1 36820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20158 1 21695 1 1 1 1 1 1 1 1 1 1 141.079@1.7720706 1 1 40744 38268 41589 1 54593 1 1 32369 1 30699 48344 1 43215 1 1 40816 1 28034 25962 57566 37516 29668 1 56525 1 23626 24429 45384 32402 1 1 28686 30504 1 51191 Hexazinone 142911 213203 282702 229757 254317 198028 263120 206146 252765 223062 340904 282955 254369 230029 198081 233199 226314 182444 171807 223892 188479 63866 219639 228516 156722 218428 211660 128949 182643 181473 209383 229574 147337 158871 204433 191581 178951 C37 H63 N2 O2 S 1 1 54610 87466 1 37739 1 1 24675 40822 1 1 31941 65696 1 1 73365 1 43751 39016 1 1 1 1 1 1 1 69794 1 1 56503 37212 1 1 1 1 1 C12 H26 O6 533406 751021 1022804 851173 809268 785659 958659 715789 600867 884713 1243708 1004528 988997 990045 717673 723328 876757 584890 692224 735162 965852 954880 911132 884488 670509 728934 791316 649229 665625 668560 875403 742073 446232 602669 726494 688021 652149 3-Hydroxy-4-methylanthranilate 1 525680 282543 200277 293987 390616 261958 137990 421122 554203 283234 193529 412939 180338 315835 161491 275267 189895 1 409199 292836 279070 1 304375 1 459603 359953 269829 210203 1 297054 1 193562 247866 190876 108057 218445 C13 H25 N8 O3 1 21714 33763 108955 35031 30911 45245 26251 33719 46599 46195 55889 45968 38726 1 37980 40598 28047 35178 30439 50917 43479 82355 59676 40805 1 44840 1 30333 36290 35064 37673 19156 30446 41976 30725 31079 288.1564@1.82 1 1 6852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 763.5409@1.8327395 1 1 20232 1 1 1 1 1 22228 1 1 1 1 55545 1 14475 1 1 1 1 1 17196 32505 1 1 1 1 26231 1 1 1 27565 1 1 1 1 1 C14 H34 N3 O S2 6986 263687 367108 424576 328900 266074 339423 215387 318436 353492 365025 1 399382 357098 256630 269092 315119 225454 41764 270848 387121 388957 86233 382508 307037 1 1 236473 284445 275031 386558 260868 167125 237277 408836 295281 202012 372.0402@1.8528149 3788 1 4336 1 1 4560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3857 1 1 1 1 1 1 1 1 205.0217@1.853435 1 1 5521 1 1 1 1 1 1 1 2313 1 1 1 1 1 1 1 1 1 1 1 1 2892 1 1 1 1 2912 1 1 1 1 1 1 1 1 L-alpha-Aspartyl-L-hydroxyproline 1 133813 78125 1 38225 72450 1 28926 63442 51980 78723 84844 106326 1 1 22673 1 1 22977 39299 51438 69196 1 82305 1 70907 66960 68178 1 23526 62817 53918 59027 1 32749 1 1 5,6-Dihydrouridine 56463 38541 44857 88592 27744 26735 72961 1 38229 27941 46389 1 54291 45640 48843 11219 45510 52187 1 29659 25381 48750 33889 30080 27512 49683 39780 31462 63213 1 21886 24986 19781 55622 10266 38411 54102 C27 H36 N4 O4 45377 1 49494 1 60568 30627 1 35053 1 69693 1 1 93947 249600 48747 167170 138928 70496 1 66689 1 1 1 54955 1 73934 26064 56329 36976 1 1 87832 1 91214 1 1 1 D-Proline 1 250824 79160 86752 104414 46854 1 1 53253 179989 160704 1 59590 69985 1 61905 129016 100234 65448 187572 1 58034 71056 130265 53832 113159 105315 64398 38060 1 61758 56451 65168 1 1 1 1 Geniposidic acid 1 13480 14909 5891 1 1 7585 1 7690 11257 9337 1 12419 1 6512 1 1 1 1 11939 1 13879 4291 12684 1 6652 15412 5218 7184 1 1 1 1 1 1 1 5995 591.3266@1.8793807 5048 1 12083 1 90372 1 1 1 1 1 1 1 1 1 1 1 1 1 11571 125522 110670 11413 1 66515 1 1 1 1 38831 1 1 1 1 1 1 1 1 C26 H43 N O6 S 53518 1 55002 85091 67062 1 290439 1 158292 59607 70034 542894 111954 288934 80447 189728 174941 71080 174797 73192 133263 92196 571287 60637 270151 94102 24207 104737 39360 45563 83604 116239 155570 102372 63204 185862 270723 C43 H71 N5 O3 S 75774 1 61941 73297 73527 42509 256029 54275 68244 112304 67454 418336 174578 419034 108662 289751 266775 112636 132035 82784 97951 59739 304704 83171 274685 114936 26528 154999 77886 8311 76959 154973 92182 145671 57274 174909 242605 530.3381@1.8655052 1 1 7377 1 1 1 1 1 1 1 1 5011 1 1 1 1 1 1 1 1 7433 1 1 28958 1 1 1 1 9429 1 1 1 4131 1 1 1 1 C23 H45 S3 5982 1 14832 22139 21126 1 13313 10286 20160 17203 16151 18298 21004 25865 12817 11570 17810 1 16813 8875 21544 25113 24002 14888 22143 9409 1 1 11400 9246 17082 11729 3738 11333 12619 11572 11068 Allantoin 1038232 711189 942406 1040898 1228857 668909 525153 859701 1451732 817288 1066144 655845 644950 455668 473260 845152 418292 861891 543039 522451 286243 810054 827534 1075074 682603 808508 646998 786737 605548 442676 498707 669663 900418 557412 465122 923153 393751 C3 H2 N2 O2 1 139308 186902 64005 1 1 1 1 271064 154632 207175 129376 1 1 1 1 83358 61670 1 106732 1 1 1 91010 1 159160 130268 136080 1 1 1 112431 1 1 91338 1 80850 87.0436@1.8814503 1 1 5031 1 5239 1 1 1 8607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.9918@1.8967813 1 10477 11091 1 1 1 1 1 1 8183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2177 1 1 1 1 1 1 1 1 1 1 1 Urea 28752 47931 64158 27558 69425 39009 36594 23811 96947 58850 74270 50528 40426 36261 42390 23865 32774 27076 17810 1 19160 1 26354 34650 37210 65851 65034 50667 17045 1 33410 42521 18882 36354 35728 25548 31519 398.0029@1.8879452 1 6710 8602 1 1 1 1 2786 13991 5139 7045 1 2188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5419 1 1 1 2278 1 1 C30 H17 O10 S 19741 37942 38823 20822 24567 28678 20351 15313 42212 36177 35697 24384 26723 19726 23425 15865 19586 18359 6997 6456 1 28913 12563 18372 11091 28069 27648 28592 11026 3822 26582 27606 15149 22634 24716 15974 17885 239.9588@1.8839976 8057 12743 12120 9853 1 8755 6357 1 13693 10840 11158 8047 1 1 5837 1 5517 4629 1 1 1 6655 1 1 1 6683 7415 1 1 1 7387 5633 4640 4716 1 4370 1 C40 H42 N2 O 40431 1 74363 8637 294301 49230 25519 1 20129 25569 21335 20574 47386 2758 1 1 1 1 256411 1242335 510949 49462 1 192206 2262 28213 18707 16872 304941 6402 9643 24908 1 1 1 1 20446 C23 H9 N4 9092 18577 62044 10386 29904 14260 22398 7313 15412 17229 36858 32188 18672 8999 11015 7097 13875 1 1 20863 5807 72524 6151 1 6189 1 1 1 11594 1 13195 29378 10653 18219 11517 11972 12495 5?-Chola-3,8(14),11-trien-24-oic Acid 10474 10834 22158 1 194659 14894 9452 1 1 9185 1 1 33950 1 1 1 1 1 77445 846364 197843 29059 1 129062 1 1 8832 5241 92172 1 1 19207 1 1 1 1 5694 113.0228@1.8803325 1 1 11015 1 1 1 1 1 16858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9630 1 1 1 1 1 1 1 1 1 C36 H7 N8 O2 1 6193 8273 1 1 4633 1 1 1 4962 1 3847 1 1 3820 1 3595 1 1 1 1 1 1 1 1 1 1 4921 1 1 1 4924 1 1 1 1 2616 C18 H7 N2 O10 85451 129117 119630 96147 88099 106511 84818 82961 49628 119024 119096 91234 96744 75984 90262 73409 80896 81020 42229 32686 36373 1 67259 78110 62655 96329 94388 103931 52130 40223 100954 100959 75697 92793 96796 80986 78905 366.0129@1.8802633 1 1 6609 1 4415 1 1 1 1 1 5040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C19 H7 N9 O2 S2 22032 30286 28964 21948 19567 24229 19777 20791 13624 26735 1 21234 20392 19576 21522 18103 18383 18656 10137 1 8976 18615 16159 18488 17711 18932 20083 19647 13851 12688 23610 23221 18294 20341 23545 17133 17975 (23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid + 1.8877333 98222 1 107472 22598 478010 81084 43832 1 23871 43412 34087 29471 81783 1 1 1 1 1 249553 2635848 1286722 1 1 360225 9392 38128 25377 26970 288969 1 15471 41055 1 1 1 1 36581 C35 H9 N O5 4546 8814 10770 4352 1 7375 4474 1 1 9869 9625 5736 6503 5095 6101 1 5107 4316 1 1 1 7191 1 1 1 1 1 6738 2217 1 6697 7572 1 1 6636 3215 3906 668.9793@1.8920432 1 8243 6426 3301 1 4008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3032 1 1 2250 2822 1 1 279.9511@1.8864397 7874 17680 8576 9933 1 11913 8254 6511 7154 1 1 6382 1 1 8252 6668 1 5575 1 1 1 1 1 1 2781 1 1 1 1 1 1 1 3750 4677 1 1 1 Bufadienolide + 1.8836479 11289 1 26788 1 1 12371 1 1 1 11336 1 1 1 14067 1 1 1 1 1 1 209796 1 1 1 1 13736 1 6435 1 1 1 1 1 1 1 1 10569 530.2163@1.892026 1 1 7288 1 1 15109 1 1 25049 6934 1 16999 1 1 1 1 1 1 1 5565 45210 1 1 23800 1 1 1 1 1 1 9127 20432 13440 1 3374 1 1 599.4603@1.8801025 1 1 27333 80249 1 1 14213 1 62783 1 1 1 1 1 1 1 1 1 1 1 1 1 14657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C17 H N2 O5 8663 1 21444 21775 14060 1 18054 15838 14483 7601 1 17494 14086 17476 12304 16662 1 15508 11386 4389 1 11988 13109 11895 15263 1 10634 1 14734 15487 6430 1 16868 19211 1 16915 13054 Asn Cys Cys 1 65872 32811 1 1 1 1 1 31766 49042 47114 30756 1 1 36394 1 36503 1 1 1 1 35306 1 1 1 1 35634 1 1 1 49492 1 1 1 48827 1 36178 C8 H18 O5 2136452 2754523 4110105 4727297 2000573 4411848 2819106 2834470 2526708 1752393 2920816 2365320 2767218 2457814 2525130 1358456 2724256 1668686 2224579 1974697 3177713 3224935 2023429 1862379 1711503 2006181 2798157 2195000 1174917 1300516 2003174 2170637 1251861 2239889 1348419 1983898 1849096 255.1514@1.897199 1 1 50569 1 1 1 1 1 1 1 1 1 1 32363 36340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.1115@1.8988367 1 1 57252 51067 1 46505 1 1 1 1 43014 1 1 1 1 1 35079 1 1 1 1 73149 1 1 1 1 39833 1 1 1 1 1 1 1 1 1 1 C3 H6 N3 O6 1 998201 499015 1 1 690636 513090 1 538749 756089 679067 507876 568241 506013 522273 1 534048 1 1 205706 246257 402673 1 1 1 560764 537655 674588 1 1 711369 686902 1 663266 701323 1 532386 L-Cladinose 20284 1 38865 1 1 40203 24331 1 21246 1 30460 21788 25872 19983 1 1 1 18208 21076 19636 26539 32274 20222 1 17459 21390 34104 20882 1 1 20261 19999 1 1 1 16810 20287 150.0891@1.8978899 34192 1 50842 1 1 1 1 1 1 1 1 1 1 1 31794 1 1 1 1 1 43276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1047@1.9200838 1 20959 30582 49781 1 30701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.2692@1.8801879 17876 44132 9597 1 52337 1 1 1 1 1 1 1 15029 1 1 1 1 1 50421 42069 129428 1 1 58569 1 1 1 1 49837 1 1 4493 1 1 1 1 1 61.0525@1.9037929 5920 7998 6644 1 1 5999 4383 1 1 6391 1 1 1 1 1 1 7510 6038 4986 1 4972 1 1 4797 2513 1 6296 1 3959 1402 4046 1 1 1 1 1 1 Leu Tyr 62162 1 35776 12075 200101 52614 21601 1 6971 20799 6442 12324 42615 1 1 1 1 1 1 1 528019 18016 1 223845 2728 20162 15475 17461 1 1 10488 23213 1 1 1 1778 19523 D-2-Aminobutyric acid 41606 60795 38553 22544 30711 30571 1 1 25971 42592 39236 36665 24704 27371 35693 24961 28667 29744 29564 38476 34201 34371 25297 35162 17164 1 37456 21280 27893 1 30194 20537 1 18828 1 1 21554 296.9774@1.903624 1 1 2289 1 1 1 1 1 1 1 2713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1558@1.9027947 1 1 5612 1 1 1 1 1 1 1 1 1 1 1 1 1 2965 1 1 1 1 11890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 363.0651@1.9101545 1 1 7143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3243 1 1 1 1 1 1 1 4847 1 1 1 1 1 366.078@1.912 1 1 4331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Phlorizin chalcone 1 1 9033 1 3434 5878 1 1 1 9637 19214 1 1 1 1 1 1 1 1 10506 1 1 1 1 1 1 6058 6877 1 1 1 1 1 1 1 1 1 C13 H5 O6 S2 11652 1 6870 10582 1 9515 8884 1 9801 10742 7211 1 9061 6986 7931 9122 7595 9362 1 1 2630 4055 9226 6514 8776 6328 7550 9830 1 1 11054 10782 1 10696 5434 9485 8980 205.0217@1.9233541 1 5601 10402 4656 4508 4073 3976 1 1 1 1 1 3279 1 1 1 1 1 1 1 1 1 1 7296 1 1 1 1 1 1 1 1 4877 6173 3951 1 3768 507.3403@1.9101657 1 1 15990 61185 1 7607 17890 10989 1 1 9273 9021 19458 33781 1 1 1 9463 27871 1 1 15047 52598 31109 32200 9713 30687 18968 17324 1 26634 21665 1 1 30196 18427 7555 300.1113@1.9485124 1 1 15746 1 1 1 1 1 21514 11269 24847 1 31812 1 1 12789 12425 1 1 1 13946 14135 1 50875 10685 30412 1 14331 23102 1 1 1 12059 1 14954 1 1 C17 H22 N2 S2 77209 1 18418 16703 46023 28011 59633 22989 28041 13549 27513 38770 56521 1 40621 25001 29664 18008 39412 73283 32051 56822 20975 74631 1 48747 69254 28615 43245 11552 16555 26024 25069 7523 27541 38032 1 2S-amino-pentanoic acid + 1.9324512 215609 68903 135468 61317 749350 61817 177198 72625 554727 85057 95364 127761 108475 105291 135300 112744 100390 349619 93939 115121 136418 203164 96952 145801 67883 141817 86027 75597 102522 29263 76975 105301 57863 165118 87022 111134 124010 657.5025@1.9323848 12156 1 111676 44629 27584 1 53133 1 132729 75217 1 93501 1 91279 1 31632 116994 1 1 1 1 1 1 86630 53125 79470 94761 89387 51034 11531 138391 73608 1 1 1 98795 41650 C12 H25 N O3 59887 1 38517 27356 47985 40653 1 9106 32509 1 26061 17801 33117 30727 1 27760 1 6658 1 1 26261 15692 57852 1 14955 24033 46227 21518 8446 9144 58276 30020 8286 19359 6067 1 10024 141.079@1.9346032 66815 19239 34611 1 1 1 111873 54449 1 1 1 1 1 1 62974 1 1 1 1 1 1 1 22633 120277 1 1 1 1 1 35726 1 1 1 1 1 1 1 2-Methylbutyrylglycine 481222 1 207614 983411 164847 107933 799568 429651 88523 1184578 1251443 940394 1770292 99437 646270 630934 817880 115239 144684 1905538 659414 290698 224274 1093061 644255 1275737 199200 966961 424313 259236 98197 247380 478055 614504 153585 966144 2210634 C15 H27 N O2 S 1 1 26580 1 21680 22043 28173 16158 1 1 27062 1 1 1 1 20050 1 1 1 1 40336 33102 1 28167 21190 21663 31044 1 1 1 25276 18035 1 22015 1 19968 12776 502.3073@1.9467872 1 1 42917 1 1 1 1 1 10352 8029 1 37157 1 1 1 1 1 1 1 1 52743 1 1 71541 1 1 1 1 64569 1 1 17215 34478 17190 1 1 1 524.2896@1.9482285 1 1 12781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69108 1 1 1 1 1 1 1 1 1 1 1 1 1 727.5808@1.9464378 1 1 14788 34532 1 20780 1 1 56260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51058 1 21329 1 19605 1 1 1 1 1 1 1 1 Quinolin-2-ol + 1.9616449 65772 33395 31859 53791 84679 42113 45390 36333 37085 34608 76995 39339 49581 53828 62189 41376 46460 49598 76878 39735 22582 32607 30570 37303 68555 165396 147681 36868 24782 1 27267 1 24217 16746 15905 27236 24970 C14 H32 Cl N2 O S 1 1 30674 41581 25982 22333 26797 31436 25580 26529 29890 29039 50835 31121 30873 21754 29885 1 22025 1 30447 41037 30916 35007 24928 38241 22642 25324 18164 28122 34566 1 15141 28186 39238 24806 17536 S-Acetyldihydrolipoamide 8875 17064 55593 1 38039 8270 1 1 26781 12261 17681 12412 1 12377 23827 17415 26051 1 1 41296 8458 65042 1 11408 9486 1 1 17564 1 1 11882 74979 1 19848 1 10524 17590 309.1241@1.9941157 1 1 7449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 500.2916@1.9959902 1 1 12720 1 1 1 1 1 1 1 1 7953 1 1 1 1 1 1 1 1 1 1 1 70040 1 1 1 1 16816 1 1 1 7237 5694 1 1 1 699.5504@1.9957888 1 1 26949 56246 1 29024 1 1 83357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34077 1 1 1 1 1 1 1 1 1 1 C30 H67 N4 O10 7613 1 94817 46273 64244 1 1 47301 1 68285 44825 1 1 63857 59119 1 82491 64145 30553 1 77102 1 1 1 77737 1 78095 22338 1 39904 1 1 1 1 1 39106 1 346.2982@2.0142188 1 1 13206 1 1 1 1 1 7126 1 1 6617 1 1 1 1 1 1 1 1 1 1 12324 1 1 1 1 1 1 1 15247 1 14655 1 1 1 1 522.1002@2.031166 1 8539 2060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C11 H25 N O6 119454 1 204677 103711 140844 159239 156570 113084 136918 144480 214876 178161 151532 113831 141516 130220 114243 131886 76148 153497 104307 147790 100655 129699 99126 151363 130641 119399 104149 135436 115140 140123 122945 111038 145117 128705 121049 240.0864@2.004 1 1 15761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.1213@2.0045083 19058 32061 25162 21527 14232 1 1 1 1 25251 1 25995 20494 1 21255 1 25291 1 1 25259 1 23452 1 18395 1 1 19962 1 1 1 21555 1 19797 1 1 26592 1 C15 H29 N O3 + 2.018942 1 1 52575 68122 52938 61600 1 16305 40369 16115 26405 19643 49630 39723 14928 48467 37143 1 1 25149 22981 36665 23161 37727 50282 34531 85368 32273 39863 13448 41376 22857 1 27958 1 34171 19353 Hexazinone + 2.021875 602642 505715 1182108 1068647 914132 926270 1095264 854528 1137611 1039132 1319678 1154443 1090702 1197095 830337 759701 1027365 641653 783994 853789 1322513 1231249 1149615 1086551 823344 818652 971011 842745 778510 696110 1074467 885959 469266 764638 825089 784730 712679 443.0551@2.02 1 1 4807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C12 H25 N8 O2 42671 1 169312 1 168779 129819 181904 1 167064 167763 201716 1 1 176114 141162 146494 1 119098 1 155977 1 205209 217120 165163 130882 141922 162732 98680 113409 162059 1 147978 98989 111858 1 1 102292 Ethambutol aldehyde 1 1 18304 13517 18173 1 10344 1 8685 1 7867 1 10686 12434 7729 9881 10920 10538 8163 1 1 15258 11678 1 9593 12870 13768 1 7664 1 12091 11532 8582 1 7668 1 1 C22 H29 N2 O S 1 1 6820 8017 1 4149 1 1 6753 7359 8584 9675 1 9193 1 7420 1 5403 1 6236 5109 11306 6824 9576 1 1 6072 2738 1 5730 8996 5479 1 1 9843 4849 1 N-Methyl-4-pyridone-3-carboxamide 667346 522769 886127 306227 716689 317871 782678 407942 634196 390461 618578 441483 612330 692996 509805 347693 382737 577243 386128 277094 696065 886432 464351 769723 268396 1162468 488469 621429 549465 188942 383267 699795 246559 671871 585738 552152 536877 C14 H30 O7 1 1 115764 683064 440778 78903 496150 269395 457107 509282 494372 562579 614083 90848 382628 367621 459781 316190 365198 414061 627804 597386 668159 576130 445813 374335 393455 376409 426418 364967 552344 87016 247069 360296 514776 401926 66966 327.2253@2.0783155 71133 1 387698 1 1 313482 1 1 1 1 1 1 1 405479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76817 1 314238 1 1 1 1 229573 C18 H34 O5 S 21328 1 102567 53964 72641 48885 15445 8361 1 1 1 1 71811 20607 92094 59184 10417 35171 1 1 1 1 40611 45967 1 81082 1 1 1 1 1 1 24192 88680 1 68170 23895 Orsellinic acid 1 26509 40581 1 24160 1 1 1 24496 1 27367 18463 1 1 1 1 13252 1 1 43846 1 30150 1 1 1 19424 1 18278 1 1 16058 17927 1 1 1 1 1 1245.3375@2.110996 1 1 6802 1 16417 17615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0735@2.1205897 1 1 21061 1 1 1 1 1 1 1 1 24319 1 17711 1 1 1 1 1 1 1 14149 1 1 1 29788 1 15008 1 1 1 1 1 1 1 1 1 C5 H9 Cl 10038 1 9173 6658 1 12110 9396 10196 12129 11026 12533 7307 1 13903 1 10213 11002 9188 1 5798 9282 1 1 8161 9218 10624 1 12065 7414 1 10965 11160 7957 10573 12099 10137 1 C20 H28 O2 S 1 26878 21091 10978 30040 12542 9366 13160 13630 28551 17594 8004 1 25966 1 1 19774 1 12215 33776 14398 18979 21801 26652 8043 22064 16339 22366 9509 1 29466 24357 1 11148 18888 1 1 1169.3315@2.118 1 1 17224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8-hydroxy Guanosine 8156 1 6760 1 10678 1 5934 1 1 6425 1 1 4754 9918 1 6116 10161 1 7251 10983 1 7411 6118 11223 1 6375 7219 1 5714 1 7429 8945 1 5498 5065 1 1 1242.3531@2.127 1 1 6662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Urea + 2.1285865 1379641 2420601 2014013 846283 2005298 1837856 1497073 1617857 1677725 2051129 2400274 692883 1256772 1807386 1220139 1445175 1633658 1543162 865606 1910055 1153228 1757069 1486622 1246707 1056128 1747731 1887823 1746131 716609 370828 1803886 1549056 1076999 1360653 1861785 1482388 728768 C19 H23 N2 S 15279 1 13514 1 1 1 15007 1 10058 12372 14966 8963 1 14541 1 1 1 1 10526 12710 11360 13874 9447 13448 1 1 1 1 1 1 9820 1 1 1 1 1 1 C15 H10 N3 32153 1 47248 18127 27487 16579 44389 12215 17083 26394 42429 1 20049 24048 14088 23559 25778 15357 10522 23659 1 40754 21010 20221 16991 29264 25051 17216 1 1 22116 21943 1 14756 28430 20929 1 231.0906@2.143 1 1 11400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 289.027@2.1474733 2687 1 3078 1 1 1 1 1 1 3004 1 1 1 1 1 1 1 1 1 1 1 1 1 3242 1 1 1 1 1 1 1 1 1 1 1 1 1 Glutathione, oxidized 14880 9280 20844 1 17599 1 16004 1 1 1 8048 1 1 1 1 1 10699 1 1 15388 1 21785 1 22814 1 1 1 1 1 1 10696 17800 1 1 1 1 1 304.9967@2.1514983 1 1 2882 1 1 1 2323 1 1 1 1 2405 1 1 1 1 1 1 1 1 1 2759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0576@2.1542416 8642 1 9756 7941 1 1 13086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13658 1 1 4041 1 4166 1 1 1 1 1 1 1 1 1 1 462.0789@2.1503658 24833 1 29995 15478 1 1 1 18056 1 23654 15084 18200 1 1 1 14663 18328 1 1 1 10678 1 16365 1 1 16085 1 14274 7966 1 21267 1 1 14081 12064 1 1 334.0312@2.1510727 3174 1 3302 1 1 1 1 1 1 1 3690 3301 1 1 1 3008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2120 1 3116 1 461.0815@2.16799 1 7022 10301 1 8959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10784 1 1 1 13413 1 1 3968 1 1 1 1 10257 1 1 1 1 1 448.2601@2.1530676 1 1 2040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10917 1 1 1 1 1 1 1 1 1 1 1 1 1 358.1046@2.1496568 11163 1 17263 1 13697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C12 H28 N5 O2 S4 1 37177 5001 20264 17866 1 1 1 1 12700 5750 1 1 13013 12028 1 1 1 8146 1 1 7731 1 1 1 4345 14442 7513 1 1 12432 13352 1 1 13831 1 7235 186.0508@2.1568692 9987 1 10879 1 1 1 8544 1 1 1 7485 8914 1 8280 1 7957 6793 1 1 17535 5562 14273 1 1 1 1 1 1 1 1 6660 11186 1 6349 1 1 1 627.1851@2.1533132 3020 1 3767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C27 H35 N O14 S 20024 1 23257 10540 13172 1 26229 1 1 11529 1 1 6375 1 1 1 1 1 1 10554 1 26358 1 20304 1 11378 1 1 1 1 1 13267 1 1 1 1 1 508.1782@2.154225 1 1 15065 1 1 1 20742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 497.21@2.156 1 1 4901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.102@2.1579475 53934 1 61889 41566 31536 14884 75518 1 24396 24642 39628 42880 37095 25710 15052 1 30321 19524 14599 1 19617 1 34362 54349 20704 21779 1 15050 15568 1 23566 30606 27437 23959 20958 1 1 6-methyltetrahydropterin 36780 1 49804 30048 1 18449 50696 1 18733 26667 37125 33745 25227 21121 1 21518 22464 14110 1 65072 13961 81679 1 44070 1 23626 15708 1 1 1 20794 28158 16885 14455 19936 23577 9931 384.101@2.1542182 26176 1 23760 1 1 1 1 9696 1 1 18865 1 18138 1 1 1 1 1 1 1 10052 1 17254 1 9979 12718 1 1 1 1 1 1 11318 1 1 1 1 224.1053@2.1575422 12163 1 13454 1 1 1 19467 1 1 1 1 1 9349 1 1 1 1 1 1 1 1 28475 1 12910 1 1 1 1 1 1 1 1 1 1 1 1 1 440.0968@2.1572428 1 1 89769 1 1 1 76009 1 1 62178 53621 52503 1 1 1 1 1 1 1 68487 1 117857 1 111881 1 1 1 1 1 1 1 1 1 1 1 1 1 469.1772@2.157 1 1 6618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Diazepam 1 1 24917 14487 1 8975 13717 15643 1 20036 1 15912 8598 1 6868 10809 12009 5920 1 1 7623 24300 1 20413 1 8332 1 1 5313 1 1 1 8329 9236 1 5388 1 353.149@2.1588674 145800 1 192626 1 131759 1 221298 74050 1 97989 1 1 75803 1 36781 72183 78844 49549 1 1 1 1 79146 148843 1 66279 47127 1 1 2256 1 83555 1 1 54942 54879 17056 Faropenem 74977 1 100972 55412 1 39478 63198 68355 1 90344 52933 59273 32420 58173 25857 46935 53232 23995 21856 1 31650 86521 34348 98202 15873 34160 22585 37908 23062 1 52193 71740 32398 39542 29724 21847 10058 C13 H21 N11 O7 S 85054 1 11405 7079 70360 1 12639 49506 1 1 8146 8684 1 5226 3656 1 6247 4886 1 4884 1 12909 5358 5770 1 38892 23651 1 16739 1 4295 1 3629 31945 29219 1 1 370.1631@2.1603625 1 1 47850 1 1 1 8345 1 1 1 32711 1 1 18570 1 1 1 1 1 1 1 1 1 1 11327 1 1 11215 1 1 1 1 1 1 14442 1 1 Convoline 1 1 68787 17306 35574 16804 45907 23485 22851 27660 37391 26908 25599 28636 12386 36617 24275 25689 10842 50498 7988 100036 35089 29966 19660 23963 19082 9505 9321 1 18110 16566 11361 30714 13185 13298 6054 C12 H25 N S3 24118 1 137954 24930 87727 15521 42913 12998 55088 41434 50768 36144 31503 10407 18704 10005 15478 1 6934 103420 7448 204901 12225 26440 15812 43814 28620 8435 7557 1 10857 9275 17979 20036 8095 7013 10688 17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate 1 1 37950 1 21397 15213 7182 1 30616 29513 44062 19914 4505 3361 1 1 1 1 1 44089 1 39196 1 8755 1 1 1 8986 1 1 14634 11883 1 1 1 1 1 276.1207@2.1662998 1 1 38217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.1241@2.158981 16690 1 19531 1 25363 1 18731 1 1 1 16114 1 1 1 1 1 1 1 1 1 9968 26247 1 10838 1 14532 1 1 1 1 1 1 6761 1 1 1 1 647.1876@2.160463 1 1 3467 1 1 1 1 1 1 1 1 1 1 1 1 10309 1 1 1 1 1 1 1 1587 1 1 1 1 1 1 1 1 1 1 1 1 1 C12 H27 N4 O7 S 27239 21751 27015 113276 1 55499 30918 1 73246 14208 161041 189591 12743 84575 1 10737 9878 7563 26964 155319 52377 339155 13622 23238 38726 10609 5730 41605 29979 1 76698 11752 60436 56222 7083 7251 1 C26 H32 N21 O 1 1 15873 1 59804 31383 10161 3752 38611 24194 9463 27138 1 1 1 17941 15975 12220 1 21166 1 1 1 15480 1 1 1 17877 1 1 24528 1 1 1 1 1 1 C23 H31 Cl3 N O3 32441 1 3466 1 25105 1 5006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36291 1 3758 1 1 1 1 1 1 1 20524 1 11776 1 1 1 415.1667@2.1616833 1 1 35896 1 1 1 3789 1 16438 1 1 27124 1 1 1 1 1 1 1 1 1 4435 1 22963 1 1 1 1 1 1 1 1 1 1 1 1 1 361.1227@2.1601121 11860 1 46988 36156 1 1 79910 1 1 1 51200 1 1 1 1 1 1 1 1 1 1 81819 1 30296 1 1 1 1 1 1 1 1 1 1 1 1 1 Bergenin 9081 1 16428 12353 8948 1 22904 6382 7953 7602 16993 13121 10612 7019 4640 1 9236 1 3633 5575 1 17300 1 10117 1 7299 1 1 1 1 8055 7804 6599 1 10848 9696 1 500.1335@2.16041 6255 1 8247 1 1 1 1 1 1 1 7785 1 1 1 1 1 1 1 1 1 1 1 4689 4952 1 1 1 1 1 1 1 1 1 1 1 1 1 C28 H25 N2 O3 S2 1 1 12875 1 6041 1 17502 1 1 1 1 11317 9735 1 1 6713 5982 5002 1 3900 1 12703 6777 9305 1 6189 1 1 1 1 6003 7049 6032 1 1 1 1 C14 H19 N O4 S2 22053 1 25936 21085 14604 16060 28063 16344 16025 17442 26097 21712 19064 16816 10382 16918 17275 13306 7912 11322 11472 22313 16966 17378 10996 12366 9703 8986 8523 3176 15458 15191 14161 11369 13182 13442 6918 362.1193@2.1610558 3390 1 100471 72919 1 1 206464 1 58177 1 5713 89244 1 34148 1 11673 58014 1 1 44565 1 37471 1 76502 1 49529 1 1 1 1 1 1 40998 1 41760 67607 1 377.1533@2.16249 6508 1 5504 1 1 1 8423 1 1 1 1 1 3981 1 1 1 3759 1 1 1 1768 10122 1 3705 1 1 1 1 1 1 1 1 1 1 1 3609 1 771.6068@2.1638799 1 1 28236 60224 1 28037 1 1 71052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48965 1 38727 1 27166 1 1 1 1 1 1 1 1 Chlorambucil 7307 1 8725 7093 90253 1 6889 1 46584 9063 1 6243 1 6110 1 5681 1 1 3077 137547 4717 7344 4471 9398 1 4378 1 1 2978 1 5903 6264 1 4363 3729 1 1 441.1638@2.165169 1 1 2903 15143 1 1 38489 1 1 1 24872 3627 20034 1 1 1 1 10774 1 1 1 24576 1 1 1 1 1 1 1 1 6020 1 12507 1 9768 15927 1 5?-Deoxy-5?-(methylthio)adenosine 1 1 33997 13420 8323 8011 6164 1 1 14475 15501 11859 7432 1 1 1 1 1 1 23699 1 1 6246 19883 1 11784 1 10081 10738 1 1 15845 8884 14209 6100 1 1 Muramic acid 22274 1 24667 23738 1 14130 40797 9717 1 1 28460 20345 24462 1 12454 1 12261 16567 1 1 1 34319 19659 1 15401 1 1 1 1 11142 13860 14068 17789 10765 1 19442 14547 423.1527@2.164132 12967 1 12087 1 6755 1 1 1 9810 1 1 10948 1 5410 7283 8518 6545 1 2660 1 1 1 1 1 1 7809 1 1 1 1 1 1 1 4101 1 1 1 440.1663@2.1641538 1 1 9826 7749 1 1 20921 1 1 1 15628 9215 12552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.1204@2.168748 1 1 10518 1 1 1 1 1 1 1 3304 1 1 1 1 1 1 1 1 4108 1 15994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.9625@2.1758614 7531 1 4046 1 1 1 1 1 1 1 1 1 1 5274 1 1 1 1 3785 1 1 1 1 1 1 1 1 12125 1 1 1 9716 1 1 6689 1 1 140.0331@2.1696727 1 1 47235 1 1 1 1 1 1 1 1 1 1 28872 1 1 1 1 1 1 22527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.1092@2.1706262 11405 1 9736 8577 1 5074 16628 5899 1 5272 11514 1 11704 17361 5444 6571 6630 7967 1 1 6634 12999 7890 21414 1 7720 1 3179 1 1 3558 1 8054 1 22995 7443 4783 369.1994@2.191 1 1 2334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 687.5128@2.2006452 1 1 60180 1 40047 33468 54592 22692 75771 1 1 75303 1 45084 43593 1 51286 1 31679 1 1 1 32955 1 15381 26265 1 40667 35667 1 1 1 1 1 1 55583 25550 172.0846@2.2207508 1 1 49059 1 1 1 1 1 1 26107 1 1 1 1 1 1 1 1 1 1 1 54633 1 1 1 1 1 1 1 1 1 45134 1 1 1 31607 1 Metaldehyde 58657 1 94772 183649 86248 75905 78125 70642 96399 90092 112128 83153 73281 95496 65146 74690 87705 51647 60384 104977 108978 22056 96120 89322 1 69671 78876 59659 70913 1 93546 1 1 1 80771 72131 53844 369.1795@2.286978 1 1 18592 15254 1 13508 24799 1 17928 1 37146 12455 18049 9728 12358 1 1 13050 1 1 6452 12436 17984 1 1 10278 1 7476 1 1 1 1 1 1 12690 16202 8789 C10 H22 N3 O3 S 107535 1 194070 353672 158571 161672 232056 120923 196573 145266 273503 185862 218188 153954 145335 132566 69665 46424 52210 51643 175893 241609 212265 1 158751 158320 197556 1 107407 41202 143621 111067 85030 117455 157945 165221 54507 132.0785@2.288095 23961 1 44516 86911 1 35629 38007 29519 40049 41454 1 39429 39547 42893 1 30126 43362 23944 1 39097 44111 50117 1 42247 29507 1 1 36244 32058 1 1 1 19660 30788 1 31474 1 C13 H31 Cl N4 O2 S 46713 1 68239 117086 40162 64114 97697 41617 75188 40618 110109 67548 74867 40029 48442 46386 59693 55060 36982 13719 57179 75580 61720 29087 60659 46413 60552 35169 28010 68405 40139 32083 29596 39893 48182 65847 51155 C9 H26 N6 O3 S 99995 1 144233 242675 101417 113731 168362 94908 148556 108167 198458 135666 160091 132623 101748 102937 131583 101903 94315 61890 142052 182895 154954 98197 127714 112690 138649 92423 80189 130941 108472 84234 66392 89968 124111 116052 107576 Angustibalin 14212 1 18266 36308 1 16667 22712 14696 29278 16172 28563 19414 20324 15894 13812 13532 18617 1 15144 7225 19523 28596 22611 13260 18172 18050 23007 14722 10776 17700 16773 13751 1 1 16157 18172 14052 C11 H27 N4 O8 91634 1 171093 281212 122584 144747 233743 98825 189794 93748 277857 168162 218307 101327 132655 113986 133915 125831 81782 33064 138903 183760 177655 87534 150066 145655 182520 80203 62872 129333 91826 55915 78354 74500 142957 154324 136587 C10 H27 N4 O4 S 375191 1 627874 1084902 457318 522266 719632 382535 652101 507466 904813 605669 697150 534807 490380 427313 529956 442173 410615 301890 580546 764195 677100 463417 498145 510193 620517 359416 312044 508788 460943 339520 264899 370133 478263 507587 452633 Pirimicarb 6588371 1 1.15E+07 2.45E+07 9575436 9274544 1.08E+07 8725417 1.11E+07 1.13E+07 1.27E+07 1.13E+07 1.06E+07 1.23E+07 8194511 8697113 1.12E+07 6957015 8487087 1.13E+07 1.29E+07 1.38E+07 1.32E+07 1.15E+07 7844621 8916865 1.02E+07 9023556 7955641 8064637 1.04E+07 9261568 5007224 8150564 8472660 8134860 7030594 C6 H12 N3 S 23692 1 37726 58886 27756 26856 42918 23316 35901 28878 1 31696 34755 29641 29364 21992 33121 24773 23053 1 30055 39795 34575 23045 29834 28395 37020 20209 1 20302 24523 21646 1 23993 30026 29469 28875 2-Fluoroaniline 39001 1 53231 85703 45141 42962 62190 30000 57950 36778 75747 51309 68488 40050 38278 31390 43520 36555 36086 1 49426 60125 50971 26844 38947 49694 50797 32728 28014 1 39375 25921 28646 37796 45955 43922 37412 246.1891@2.288 1 1 3245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C25 H19 N3 O 6854 1 9536 20520 1 5728 9135 1 1 10274 11989 9792 7256 9273 1 1 1 1 1 1 9027 7480 11269 8384 5724 8803 6909 6743 1 8976 7273 9061 1 1 8053 1 5913 288.0775@2.2789478 1 1 10236 1 1 1 1 1 1 5720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.1311@2.2885628 17788 1 30473 1 22090 24949 1 18096 31216 23055 1 1 1 26159 1 21687 25080 21969 18185 1 23847 34773 1 21202 1 25431 1 17293 1 24541 22693 18512 16883 1 23010 26177 1 3-Imidazole-2-oxopropanoate 20541 38965 32961 21148 27198 29364 26010 1 26299 21860 39338 33832 32479 1 15495 1 18063 1 1 45478 23990 45973 1 1 1 40529 30416 23141 1 1 17719 21430 18966 1 1 1 1 C8 H6 N2 O3 16080 28559 24819 14464 19081 16189 14863 1 22186 14834 24669 20304 22714 1 11849 1 1 1 1 30276 15469 22621 7629 1 5543 26353 19675 20716 1 1 12714 12419 1 10892 6881 1 1 Uridine 337436 603644 567071 346907 472407 388669 393745 177398 464840 387302 545494 498261 566023 241629 273000 167060 238555 218182 150452 676687 409704 673066 176735 485025 157246 600774 484056 408254 290338 176611 327838 312044 314170 249606 155289 159075 214427 N4-Acetylcytidine 1 42224 23203 23968 16411 22438 19285 6876 24848 14365 22668 52039 80046 1 11963 7359 9562 9247 9002 37586 55243 25062 6496 48177 4719 55948 48719 31919 24009 4321 1 12203 29219 9323 7381 1 14955 Lupanyl Acid 1 105589 66019 1 1 50332 1 1 31136 14406 36621 16595 1 1 1 1 1 1 1 1 11519 1 21080 14330 1 1 8303 32101 1 1 46254 20397 1 1 1 1 1 C3 H8 O2 S 1 23186 10639 3948 16376 13994 1 1 12841 9614 14116 1 5517 6397 10861 1 9782 4632 8672 28912 17225 1 13169 17772 1 10393 10484 1 9937 1 7561 11765 1 1 1 1 1 C13 H28 O7 1 1 421535 607663 402209 315885 436738 239135 380057 448394 419021 468081 537751 457462 299425 319995 397165 293641 320997 390307 530331 547999 626756 483346 389108 331905 353845 376877 336795 364052 496773 370273 193277 318954 440728 307499 235063 Dipropyl disulfide 1 26586 22489 1 1 11998 1 1 23510 15935 17780 1 1 1 14056 1 1 1 1 1 1 13851 1 1 1 39681 35119 13405 1 1 1 1 1 1 1 1 1 C19 H35 N O3 S 1 1 42702 63230 62529 1 39906 1 34746 1 24950 57285 47076 1 1 28855 41933 29033 1 29891 55063 50241 1 36572 1 28687 59867 22968 23272 1 53109 39212 24566 1 49034 1 26598 139.9963@2.4252782 1 43772 12640 1 1 1 40953 1 1 1 1 43483 20619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9673 1 C14 H35 N4 O7 1 1 71081 234445 156516 54425 93404 1 46078 104527 89375 146810 191154 116479 65570 96041 1 42899 1 68804 53558 176793 179322 114674 111751 74557 1 1 1 25797 114161 1 1 58095 94856 1 1 255.194@2.452 1 1 25152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.9749@2.4866467 1 1 64347 1 1 1 7724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.189@2.454 1 1 10652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0386@2.4617891 1 1 17346 1 1 1 15645 1 1 15280 1 21260 1 1 1 1 1 1 6709 33281 13178 20077 1 14519 1 1 1 1 1 1 1 1 1 1 1 1 1 139.9963@2.475423 65544 45280 27590 1 1 1 94013 1 1 6332 1 81440 38035 23664 23847 14434 1 19340 1 1 1 23267 11886 1 36979 22853 1 1 1 11581 1 25732 1 45810 1 21848 1 309.1224@2.4901912 1 1 8384 1 1 1 1 1 1 1 12449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Pantothenic Acid 152348 1 789101 192854 765454 296903 266325 139429 521177 585845 520407 326555 298742 146990 246425 129517 162101 113277 135932 951884 168237 588991 129042 307659 166037 487928 411117 196165 123914 1 181603 167809 163475 309521 115878 107909 153471 317.1283@2.5220628 50679 1 119270 71060 109338 97971 96660 1 102001 98730 154571 74052 102133 1 75105 1 6494 1 1 15938 1 102137 1 59426 33104 129411 136332 1 9478 1 1 1 46339 81430 1 1 37810 461.2982@2.4915957 1 1 2395 10434 1 1 1 1 1 1 1 1 1 5427 1 1 1 1 1 1 1 1 5092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.1071@2.5156426 1 1 15580 1 1 14098 17585 1 1 1 1 1 17500 1 1 1 1 1 1 1 1 1 1 12424 1 19645 22133 13181 1 1 11417 1 1 12385 1 1 12509 323.0843@2.513 1 1 2531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 MG(0:0/24:1(15Z)/0:0) 7236 1 13891 5089 16278 11713 6686 1 1 11394 10286 16508 8054 7303 6475 4785 1 5596 1 1 7893 6892 5380 8578 3849 1 1 1 1 6356 8128 2733 1 4571 1 1 1 503.3118@2.5357451 1 1 23669 27405 238554 1 1 1 1 1 34911 1 70714 81767 1 1 1 1 19771 19055 1 236262 91151 1 48906 132275 80834 1 1 1 1 1 1 1 1 28256 25150 4-Acetamido-2-amino-6-nitrotoluene 1 99556 26059 1 48848 35307 19746 1 23675 42045 30402 1 22785 27172 14944 1 30521 1 28179 68213 1 16918 1 1 1 29662 37681 49275 1 1 23994 1 1 1 1 1 1 140.9914@2.5398774 1 1 11590 1 1 9694 1 1 11475 1 10524 1 8233 1 1 1 7282 1 1 56410 1 17002 1 8417 1 1 1 6857 1 1997 5947 10470 1 9630 3157 1 1 C7 H5 N O2 1 708868 1174524 23613 1061336 1 1027956 496319 903657 1 940884 618546 744059 736038 1 362877 378329 683714 27210 23750 1 1192509 568331 915476 1 1509735 1 693804 588749 1 455572 775162 25014 846432 683268 640550 696327 4-Hydroxyaminoquinoline N-oxide 46253 37198 57038 20345 56907 22569 56411 23978 48248 28601 47357 31420 38384 38903 33132 18789 20039 35146 21927 1 38535 61019 29648 49160 16215 66957 26956 40328 32587 1 24048 40731 17625 48373 36110 30787 36296 279.1126@2.5692499 12079 1 30968 22466 24523 10475 37970 1 1 12450 25877 22437 43932 1 18098 1 7859 1 1 1 1 21697 1 1 23721 19918 14147 1 8088 1 1 1 20107 24517 1 1 18516 L-Glutamate 5-semialdehyde 36809 1 65017 1 73372 24589 32346 32376 25795 22089 57535 66671 34037 49753 24475 1 21220 18211 14680 63614 29436 106255 28341 35863 31046 36470 23285 1 44624 1 40408 44008 35941 1 32068 31984 36705 164.0687@2.573 1 1 39915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365.1301@2.58091 9187 1 25269 1 17329 10632 1 1 17901 12542 36661 1 15673 1 18627 1 5999 1 1 1 1 1 1 1 1 9432 10336 1 1 1 1 1 1 11528 1 1 1 250.0862@2.5854726 1 1 64921 1 1 1 1 1 1 1 1 18049 1 1 1 1 1 1 1 1 1 72921 1 1 1 1 1 1 1 1 1 1 11590 32213 1 1 1 150.0542@2.5846255 1 1 27020 1 1 8180 1 1 1 1 14560 1 1 1 1 1 1 1 1 1 1 16150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.0963@2.5846524 1 1 18285 1 1 1 1 1 11239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C13 H23 N8 O4 10826 1 25627 22346 20440 15558 21466 13538 22546 25175 31832 22554 22815 21268 17585 21991 22695 16383 14888 27053 19897 42794 18693 25038 15198 17237 18137 9209 24320 45128 19632 17903 12581 11636 24323 15222 12692 D-Asparagine 113712 1 27179 72639 143901 20382 122238 107895 14448 19509 136141 1 59372 56925 170271 85274 72518 99157 37314 38689 1 174220 47593 15954 143976 197146 227231 1 27641 32364 19995 1 1 27975 13197 58630 64920 277.0981@2.6674764 1 1 20833 2822 1 1 1 1 1 1 1 1 4320 1 1 1 1 1 1 1 1 1 1 1 1 12062 1 1 1 1 1 1 1 1 1 1 1 C9 H19 N4 O5 S 240356 1 1867038 1 1565747 1014500 1263608 371996 2073385 1339056 2578552 1067373 1406904 391876 909691 739408 756351 299351 44361 836163 419366 2180083 1 730841 1320750 1591329 1442910 406602 962593 1 530883 25175 1132630 910578 113448 1 1240381 Tutin + 2.6770117 1 1 417966 1 1 229739 314736 1 469690 302937 626204 285383 338177 97128 253821 178028 184107 69618 1 155967 93218 464770 1 178334 1 373525 332984 1 1 1 119880 1 1 233534 25907 1 1 151.0743@2.6867123 1 1 38735 1 1 1 1 1 1 1 18766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.1236@2.7272131 1 1 5159 12309 1 1 3603 22590 4665 3929 5453 3801 1 1 1 1 5458 1 8052 1 1 4554 1 1 64494 5572 15874 8621 31007 1 1 1 1 3621 1 1 17277 Glutamine 59607 1 104360 65665 1 1 41822 36996 1 1 1 42414 1 35633 90720 1 1 1 31203 1 26726 35757 33192 1 50946 55461 1 1 54549 1 1 1 1 35649 65174 35555 35728 4-Nitroaniline + 2.7460015 676069 1 983494 3246011 1207581 1462280 1360206 4545112 1676579 1741858 2164678 1465541 649067 2905012 1518377 939985 3819092 908562 4893677 898263 669735 993472 3170371 700974 5684462 2102200 2964217 4513884 3223353 5176917 4397227 1225161 607317 1853001 1975345 2566125 3801831 173.1051@2.7494953 1 1 64190 1 60784 1 1 1 63777 50713 52295 1 1 1 1 20911 1 1 1 68704 1 52099 1 67370 1 90920 26232 32315 1 1 1 1 27357 1 1 1 1 Dihomomethionine 1 28309 28549 26713 46712 32299 1 1 24549 29849 52781 1 1 28042 23384 24629 20904 22313 23345 40115 25405 1 17479 39374 26376 75640 85183 23974 1 1 47526 86751 1 37604 1 1 62518 ?-D-Glucose 1 1 5068872 9948780 1 1 3431508 5400046 5517766 1 1 4088211 1 6870233 1 8445382 6298668 5701918 7813698 1 1 1 8769329 1 4583496 6580247 5553062 8292147 2779093 3216296 1 1.29E+07 7817651 6848259 8769793 1.02E+07 8428884 179.0795@2.830935 1 1 978316 2252488 3069163 1 1 903563 1 1427029 1 855081 1 1872450 1702503 1 1226492 1190474 1 1 1 1239320 1 1075767 1 1237248 1 1261657 1 1 1 1 1 1847885 2590309 1323098 1 C12 H26 O7 1223097 1 4132237 2.83E+07 4531685 3795640 5134726 3632059 4264675 5344351 4488540 4934774 5953426 6773569 4277838 4820263 5794666 5109127 4572624 3026092 6618253 5899688 9528630 6400608 5704129 4952667 5848625 4939908 4591516 6185673 6845514 5412804 3011571 4032377 6214244 4640195 3902190 304.15@2.7894192 1 1 40599 1 1 1 1 1 1 26739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Hypoxanthine 183407 5294060 21602 2937297 1637868 26450 36704 6669 2911437 14412 813925 35017 5042162 2479093 1311276 7018416 4949924 1 8599 20069 2529127 47914 6136403 1 1.00E+07 8772107 2.36E+07 12405 20838 230666 61654 1 6056048 5276274 3207306 27998 1 C17 H29 N S3 1 11641 16601 1 1 11207 1 1 12954 13346 8416 8610 10413 12418 1 1 1 1 1 1 1 1 1 7593 1 1 1 28999 1 1 21141 14991 8030 15122 9516 1 1 162.053@2.8780918 1 1 905067 1 1 1 86699 1 1 1 1 1 315993 204431 112197 148724 197199 1 1 1 233555 1 221879 1 1347202 179637 1445777 126269 1 1556858 1 1 249369 89074 284837 1 1 197.0899@2.8559191 1 1 4602929 1 1 1 4911712 1 1 1 1 4805428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.3091@2.7945857 8930 1 11844 14957 35625 28267 18175 12020 31508 20963 8509 17874 10021 26549 15847 19989 19941 16717 24096 1 13936 1 20127 13580 16994 14395 5530 34117 1 1 26692 13048 1 1 1 4632 1 357.2362@2.8809617 1 1 84937 233445 129866 55497 76065 40071 65837 63195 48875 1 166801 145782 60209 101420 94764 71061 1 1 88777 124561 167188 61514 110170 67573 105842 60371 60876 13185 98773 91953 41983 1 82351 46365 60483 411.1355@2.8255856 1 1 21404 1 4935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11382 12328 1 1 1 1 1 3447 1 1 3989 1 428.1582@2.8659568 3530 1 15223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8783 23084 1 1 1 1 1 1 1 2049 1 1 1 1 1 1 1 1 1 1 314.0825@2.8615065 1 1 9323 1 1 10975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1972 1 1 1 1 1 9318 1 573.1893@2.8223796 1 1 17686 1 1 1 10340 1 18460 23868 1 1 1 1 1 1 1 1 1 1 1 4110 8970 1 12266 1 16016 1 1 3659 1 1 3007 1 1 1 1 246.0999@2.891 1 1 8384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 429.1467@2.8519924 13399 1 13359 1 1 1 1 1 19381 1 1 5055 1 1 1 1 1 1 1 1 1 1 1 1 4836 1 1 1 1 1 1 1 1 1 1 1 1 758.2085@2.866534 47609 1 59315 1 1 1 55141 1 1 1 1 57083 48002 1 91232 1 190969 1 1 1 1 1 1 163348 1 1 115141 1 1 64726 1 47710 101211 1 36747 1 348744 C12 H25 N4 O8 S 152943 16772 1570080 1 1 1282273 1079871 1205637 1800890 1 35153 1168447 1 392698 1 659306 389492 1317720 988104 1 1 1 597284 1251798 715516 1190495 807214 1099397 1 490548 1169369 1010879 281463 722904 1 1 1881685 68.0261@2.8951316 1 1 10511 1 1 1 1 1 1 1 1 4404 1 1 1 1 1 6808 3691 1 1 1 1 14016 1 1 1 1 1 1 1 1 1 7656 12049 1 1 84.0211@2.900689 63402 1 116678 100647 1 1 1 1 146462 137763 1 1 1 94745 1 97382 101883 1 1 1 146135 1 29085 1 76998 1 79400 1 1 1 152771 1 131128 124313 154267 1 1 Methylitaconate 1 1 395826 438749 758185 1 1 1 771250 441983 828182 526743 461729 359679 1 368765 299772 173703 234929 573147 432209 294264 1 1 217199 299648 235471 1 143372 50238 1 1 409687 322123 496504 403024 405653 C6 H15 N O6 + 2.9257476 1 9123176 1.10E+07 1.05E+07 1.39E+07 1 8197618 1 1.65E+07 1 1.60E+07 1.06E+07 7963695 8860106 1 1.08E+07 7874395 9327235 6303843 1 1.22E+07 8603728 1.12E+07 1 5040573 7789376 5385244 1 1 1 1 1.41E+07 9725404 8946418 1.11E+07 7959777 1 753.2529@2.9248075 1 1 19754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2490 1 565.2026@2.940675 1 1 32436 19006 19855 14990 13415 1 37221 27515 1 16576 14867 10947 13809 1 16371 1 1 2910 1 1 1 10096 1 1 1 10202 8378 1 1 1 1 14530 1 17313 1 403.1498@2.9276724 52402 1 290585 1 194308 190988 178680 1 170386 1 82755 1 1 1 200467 1 156261 183226 73736 1 1 1 818519 146150 1 1 178342 1 79536 1 156056 100122 1058092 1 1 214355 1 402.1532@2.9238515 1 1 66770 1 49269 1 1 1 72386 1 20944 42565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43931 1 1 7440 1 1 1 1 1 1 1 382.1084@2.918846 535789 1 494312 1217747 1 1054776 643965 1416208 557186 1 266382 711831 1 782119 1 1874680 1835844 1 1 1 1 33975 2488283 1 730219 1 989461 1 1 506260 1 1 1 1 681109 1 1432095 C19 H13 N4 O3 S2 1 1 113299 178593 38904 1 112556 1 1 216565 22939 1 101356 145094 1 137491 133880 214993 186484 1 1 1 143574 55972 106576 171257 111441 275559 142785 50305 1 1 158668 106264 161113 250281 232626 776.2208@2.939514 1 1 17894 1 1 1 1 1 23826 1 76057 10878 1 1 1 1 1 1 1 1 1 1 1 11660 20200 10476 1 1 1 1 1 1 1 1 1 1 1 218.0195@2.9142237 3691 1 21814 1 20251 1 1 43984 9824 1 1 3817 1 15571 1 1 1 1 1 1 1 1 1 1 1 16422 1 1 1 1 1 1 1 1 1 1 1 C25 H30 O15 16352 1 28890 1 11922 40483 1 1 1 1 7192 1 1 31857 1 53713 1 1 1 1 1 1 1 32497 47835 65709 20614 1 51209 13214 1 1 62316 1 29731 1 1 316.0123@2.8888254 8818 1 15020 1 1 4245 1 1 1 1 1 1 1 4880 1 1 18112 10368 1 1 1 1 1 1 1 1 5658 7787 1 1 1 1 1 1 1 1 1 202.0456@2.9260998 1 1 1328799 1 740189 1 1704155 3759774 1 1 767580 1763027 1639816 1 1132458 4031931 1 1 4365926 1 1909064 149727 5299294 1 1 1325879 2376817 1 1 1 3633251 1 3593511 3221341 1452871 1 1 140.0288@2.9205427 1 1 16757 1 9760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C17 H7 N S2 17726 1 28639 1 16266 1 33482 1 1 1 1 33574 1 1 1 49161 47362 1 1 1 1 1 50182 50884 86669 69265 23187 52088 9295 18468 1 1 31697 1 1 49643 1 Kukoamine B 1 1 32628 112492 310455 1 1 1 40107 1 1 33789 1 127187 24571 1 148369 95117 37826 1 1 93671 160601 1 68170 147702 162061 21957 1 1 1 26151 1 1 1 45348 42843 242.1011@2.9459465 1 1 28715 1 1 1 28631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8691 1 1 1 1 1 1 1 572.1915@2.963 1 1 8415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.986@2.9398239 1 1 44528 1 57073 85235 86010 1 1 1 27007 84173 1 65831 1 77713 1 117544 1 33626 1 1 1 1 1 1 56559 1 1 1 143080 1 1 106654 1 127408 1 573.1889@2.966796 1 1 18202 1 1 1 1 1 15441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.0867@2.9707649 32075 1 171278 1 1 1 1 1 1 1 117187 1 101718 1 57588 1 1 1 1 1 1 81150 1 1 82394 1 1 1 1 1 1 1 1 1 1 1 1 426.1156@2.978941 1 1 23861 1 1 16234 1 1 1 1 19395 1 1 1 1 1 1 1 14370 109507 16440 1 18170 11796 1 1 1 1 1 7274 20326 1 1 1 1 1 1 429.1466@2.9893384 1 1 11613 1 43444 5079 8284 1 13553 1 1 1 24124 1 1 1 1 1 1 1 1 1 1 12753 1 1 1 1 1 1 1 1 1 1 1 1 1 406.0687@2.9776745 7611 1 15833 1 1 8263 9944 1 13220 14907 1 16635 1 10594 1 11110 13298 5324 4390 1 1 1 1 1 1 22245 9973 1 1 1 1 1 10255 1 14947 1 1 3-(a-Naphthoxy)lactic acid glucuronide 14212 1 524455 1 1 1 1 119755 114508 1 55708 94157 71063 1 71669 1 31119 1 1 1 72712 54660 1 78986 1 1 91283 98241 1 43608 1 1 483638 1 469318 1 1 203.0489@2.9465902 1 1 48172 1 1 1 1 1 1 1 1 83243 1 1 1 1 118935 1 1 1 1 1 1 1 1 1 1 1 1 65480 1 310363 1 1 1 1 1 267.0947@2.980047 1 1 13030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8025 1 1 1 1 1 1 1 1 1 1 428.1452@2.95136 1 14800 10486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6285 1 1 1 1 1 1 1 1 1 1 411.1364@3.0159009 1 1 50281 1 1 1 1 1 26958 1 25852 1 1 1 1 1 1 1 1 42722 1 38899 1 1 7178 17925 1 1 1 1 1 1 1 1 1 1 1 Procyanidin B1 36528 1 50283 1 40219 37009 31433 20475 47876 46850 24330 47625 35268 26224 33774 30073 29180 11549 1 1 32333 1 36892 14464 1 44762 38606 1 1 1466 9145 24127 35825 25028 33068 37367 38417 301.0641@3.0018296 1 36087 55112 1 54562 1 38649 1 37288 52484 1 45175 47654 1 1 33428 31261 1 1 63469 1 1 1 39755 48967 42588 1 1 1 1 1 1 40690 38933 31823 33982 1 C12 H36 Cl3 N14 S3 5349 1 19998 1 1 1 1 1 20497 1 12744 15365 13505 1 1 12916 14126 10209 1 21739 11621 1 1 1 1 19159 15594 1 1 1 13187 1 23619 15260 1 1 1 C40 H12 N13 1 1 8371 1 1 1 1 9030 1 3643 5883 1 7452 6697 6634 1 7740 8274 1 1 1 1 8356 1 4467 9627 7729 1 6980 1 8175 8350 8000 1 8631 8622 1 452.1127@3.001 1 1 28074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.0948@3.0086563 8812 1 41939 1 19155 16806 13737 1 29086 1 17029 20965 15089 1 13240 7820 1 8340 1 1 1 1 1 1 1 19530 1 1 1 1 1 1 10515 1 11696 1 1 416.0913@3.014335 8351 1 88940 1 1 35161 1 18081 57620 1 36064 44629 1 19244 22673 1 18649 1 1 1 20455 37991 23317 1 31462 39380 35898 18915 1 1 19308 2221 26348 22239 24505 31330 33037 324.0295@3.009678 1 1 33464 1 1 1 1 1 32744 1 1 1 1 1 1 32708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 668.1739@3.0128825 1 1 4954 1 4411 1 1 1 1 1 1 1 5193 1 1 1 1 1 1 1 1 1 1 1 1 6315 1 1 1 1 1 1 1 1 1 1 1 512.0791@3.0079298 1 1 4972 1 1 80729 1 77113 3373 1 1 1 61100 1 61878 1 1 1 1 1 1 1 1 1 1 66744 1 1 1 1786 1 1 1 60384 1 1 1 475.1707@3.003339 1 1 19459 1 12390 1 1 5178 16137 1 1 1 8832 1 1 1 1 1 1 1 1 1 6156 1 5942 14083 13958 1 1 1 1 1 9367 8287 1 1 11665 C22 H27 N5 S4 1 1 35129 9536 1 18635 1 1 1 1 19643 27055 15214 1 24758 1 6277 7990 1 1 6670 26427 1 23105 12468 16927 12558 1 1 1 1 10797 9911 18534 1 1 47456 C19 H16 N3 O13 48491 1 83184 80686 60539 1 81877 1 84817 124589 62220 94845 1 64342 53132 53063 53405 83956 65068 42781 62678 1 64453 69107 66529 1 60659 87131 61006 58391 93644 103460 64769 31296 62741 92048 66641 C27 H28 N3 O16 S 14812 1 35732 33390 30847 40413 35517 29493 35947 52906 1 42073 27102 23684 28430 21824 23400 36758 20739 1 27427 12911 23647 22371 30568 1 26347 30797 21896 26098 31135 35199 25268 26135 25813 37957 33975 676.1647@3.011 1 1 6685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Indican 123400 507749 521955 136507 280738 257489 289984 125601 325091 322705 322158 298109 214247 112104 166538 101389 107240 1 98200 455057 134239 1 95791 238954 146860 188899 167341 152139 118316 1 187191 176734 169149 177967 119216 175149 194919 C29 H22 N O4 S 1 25969 50770 24180 32248 34742 32011 26819 38306 1 32630 49265 29765 1 30818 21505 24895 1 27128 1 28497 26317 25391 9580 31269 34494 32979 39182 27668 24809 41007 32707 32295 35048 28492 35572 41201 C18 H39 Cl2 N6 O11 S3 6412 1 23443 17707 16534 21256 16648 16866 22946 1 13463 22471 14781 13867 16056 12040 12218 19776 1 1 13457 1 13740 1 17050 18949 14754 1 10945 1 1 1 14835 14943 15288 21019 19250 488.1139@3.0253375 1 26156 33335 8717 1 1 1 10516 1 1 15031 25114 1 1 13334 5863 7512 1 1 1 1 1 6437 1 1 1 12552 1 1 2718 26055 1 1 11204 1 1 21250 N,N-dimethylhistidine 1 48265 82171 29582 1 47241 34157 1 65285 27274 47553 30035 60558 40071 1 1 27928 1 1 18854 1 1 1 28372 20917 30913 19413 34121 1 1 21606 23277 20350 31981 1 1 1 530.3022@3.0048118 1 1 20619 1 17237 13357 115059 1 1 11977 32770 1 23267 1 1 13691 1 1 284181 540776 51732 8901 19656 1128431 1 1 17883 1 195407 1 10393 1 1 1 1 1 1 5-Methylthioribose 84678 109983 165546 54744 137232 106408 113234 63783 98918 97747 184904 79118 69539 57665 65301 53473 73562 54463 27982 143096 33495 91001 43493 94056 54979 80566 85360 80444 1 1 76588 78084 54542 54131 37010 45296 41265 206.0439@3.034 1 1 10842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.1357@3.0743492 1 1 58879 1 23994 1 1 1 68727 57573 59543 71878 66727 1 54732 1 1 63075 1 47373 32069 57012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Riboflavin (Vitamin B2) 1 1 39585 17215 40028 26832 34917 19805 33303 36060 32533 47690 31894 16776 29679 1 17364 16939 15141 48836 38490 18662 13495 58005 9815 34541 34270 33087 29436 1 42760 31936 25054 13168 23080 21029 23140 D-Asparagine + 3.0625474 535577 60894 121469 315441 607721 114237 565248 594070 58405 87278 535129 44112 160363 238175 838826 263388 273595 537797 170160 148404 29535 492299 157204 58130 326109 588198 599838 43867 81030 62722 74570 57218 21319 93197 54575 273553 320970 C8 H16 N2 O2 1 42386 52982 1 147670 1 1 1 1 27796 1 33717 21871 1 45927 1 87044 1 1 27323 148381 23025 1 1 24588 32010 1 1 79772 1 1 46955 1 1 1 1 1 Xanthine 1 1 103670 11728 80061 1 32755 8866 45251 1 1 39213 1 1 1 1 1 2933 1 141576 1 95165 1 17298 1 21032 31222 1 1 1 1 23276 1 17662 1 8063 22954 284.0759@3.0616443 45941 1 212834 1 143988 15489 57675 27331 89607 30267 34932 89522 16864 22002 95776 1 26054 1 1 190987 23252 117574 1 18862 1 30028 53752 22410 22198 1 1 35752 1 35738 11784 25752 52819 C14 H23 N S 1 1 68808 25350 43301 51767 1 1 1 39472 67209 51059 39184 28069 40502 30061 1 57012 28259 1 1 1 24805 32232 25816 56328 36250 38871 34461 1 18601 44403 1 31187 39595 1 36019 C7 H14 N2 O2 1 25853 55210 1 115999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32388 1 33255 1 1 41203 1 1 1 1 1 1 44365 1 1 1 1 1 Hypoxanthine + 3.086139 102740 1 26669 1823795 2425684 1 33597 1 1719604 1 2392893 93124 4529264 1372256 557891 4454425 2505696 1 1 23008 1221220 148313 3718244 1 4528562 2319271 4664295 1 19646 238803 50997 1 3262241 2755962 2149858 29043 1 290.0626@3.1193357 1 1 5009 1 1 1 6516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10512 1 8417 425195 1 1 1 1 1 1 1 1 1 1 1 1 Homomethionine 1 50116 36941 1 56088 31692 1 1 1 30917 38630 39841 40099 1 1 1 1 1 1 48361 31411 1 19345 18014 13326 38625 50908 17081 19854 1 16044 47457 32093 1 1 1 17896 Methylimidazole acetaldehyde 1 281936 65629 1 86143 71599 1 1 78205 334735 279329 1 1 142537 1 1 245869 163069 162959 189522 1 1 139066 1 55374 143245 223925 93625 1 1 118954 1 1 1 1 1 1 332.1032@3.1419501 1 1 3428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Clitidine 38525 226003 83077 42793 102948 94581 54951 30006 97468 74702 173498 62815 52430 79811 168785 162930 137589 53722 31646 133004 1 71104 92852 53982 161324 121112 165856 106243 37454 1 87620 64910 1 105355 48862 37391 68982 C9 H14 N2 O2 1 37389 176591 1 104863 42028 65678 58433 44923 43133 46483 92311 72825 63360 63662 62244 56624 52122 1 1 1 222840 35873 33603 71416 90512 89859 57171 1 1 55251 38759 30280 46926 1 1 1 104.0262@3.1443248 1 1 31870 1 37082 1 1 1 1 1 1 1 1 1 1266914 1 1 1 1 51966 1 1 1 1 1 34408 30078 1 1 1 1 1 1 1571545 1 1 1707856 179.0585@3.1460555 1 1 80458 1 98136 1 1 1 1 1 1 1 1 1 3493397 1 1 1 1 121450 1 21499 1 1 1 86121 78162 1 1 1 1 1 1 4520636 1 1 5014580 354.0876@3.149 1 1 8433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0161@3.1499548 1 1 93178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 L-beta-aspartyl-L-threonine 1 1 259523 18625 52280 77327 82395 33671 101223 47764 75154 1 7629 23467 54958 1 1 151803 1 161860 1 265101 1 60643 29489 28406 1 46838 73559 1 63654 166300 1 36471 36847 57523 42570 74.048@3.151 1 1 3501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Deoxyguanosine 866597 146872 263564 2277151 516384 91667 212199 33682 1295698 54868 3344126 1646860 4048245 1038814 37617 90674 67731 54892 28369 144339 2174405 1314303 2090235 76417 532430 1061075 106038 56688 277659 419747 288376 59540 5105976 3117423 67031 148127 68012 C9 H16 N2 O2 68711 212877 102303 133280 89995 245487 68686 42226 412379 216382 322582 726104 284688 179604 121604 99766 90130 129673 55563 204035 158747 105554 110394 100346 64157 408448 342343 230995 126583 40083 333469 87069 131549 57739 83910 109893 46036 N-Acetyl-D-tryptophan 1 1 612617 187426 314817 634305 201840 41150 662290 762878 960153 516934 331376 291787 119126 319800 287438 160039 231943 2129426 759509 255386 160642 980765 155621 270983 111941 739335 229107 17517 419512 226125 277205 161556 158064 111533 112390 Harmalol 1 1 31362 1 1 18211 1 1 49827 31732 60803 1 1 1 1 1 1 1 1 80280 46498 1 1 45901 1 1 1 30599 1 1 1 1 1 1 1 1 1 Isovalerylalanine 1 1 54613 86873 1 1 46833 1 50151 1 1 74300 265343 1 73593 1 1 1 1 41399 44661 155536 1 55865 30157 488533 65896 1 58832 1 1 48051 38598 49146 1 1 1 213.147@3.2117336 1 1 48875 1 1 18979 1 1 20389 1 33248 1 1 1 1 1 1 1 1 1 1 1 20150 1 11022 1 1 27897 1 1 23097 39935 1 1 1 1 1 149.1201@3.3081117 1 1 49996 68011 52115 64158 1 1 48789 61356 57499 69920 1 59515 58120 58597 60575 19063 58802 1 28034 1 1 52617 1 58485 1 1 1 1 55284 64111 1 60106 1 1 1 268.0808@3.109423 52892 1782790 31428 12476 2294001 7130 1 1 1329947 1 1868229 48386 5747779 1584144 385147 6487315 3154150 1 1 1 1214470 1 5559896 1 5860010 2562208 6478918 1 1 197843 1 1 377656 3458963 2659714 9551 1 859.6011@3.2491727 1 1 24188 1 18386 14854 1 1 14236 1 1 1 1 1 1 1 1 1 1 1 1 1 12935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0386@3.2704568 1 3743817 75741 1 1 1 1 1 1 1 1 22831 1 1 35773 1 1 1 1 116915 1 75476 1 1 1 1 1 1 1 1 1 19539 1 1 1 1 24411 205.0741@3.28677 1 1 58474 1 151278 1 1 1 1 1 1 1 1 1 98860 1 1 1 1 298588 1 1 1 1 1 37257 116731 1 1 1 1 1 1 83876 1 1 116804 130.0419@3.287095 1 1 40798 1 106133 1 1 1 1 1 1 1 1 1 72942 1 1 1 1 188752 1 20420 1 1 1 28316 89593 1 1 1 1 1 1 63383 1 1 80956 5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline 75736 1 107834 65982 109962 97130 68498 44436 191110 209883 159387 116493 1 68670 27516 42453 87733 80627 44336 177512 73087 1 50893 82121 69326 598480 278278 96864 35975 1 101345 85994 34754 20981 48133 36932 1 3-Indoleacetic Acid 1 1 118039 28619 34254 45790 1 1 92677 59801 186258 1 238848 79429 1 39465 73959 1 1 40118 1 228887 45519 51864 1 1 1 55264 42857 1 41355 74153 45640 58681 44563 49294 1 190.0743@3.3350284 1 1 28625 1 1 1 1 1 1 1 1 1 47611 1 1 1 1 1 1 1 1 62049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Lys-Lys-OH 1 1 14448 31984 18047 1 1 7893 16859 22292 16721 12437 30816 23131 14917 17860 15904 19913 11876 13924 17039 56697 22447 16428 16004 9266 16378 1 6735 2964 19167 15328 1 9612 21446 1 13469 302.079@3.352954 1 1 24676 53694 1 1 1 1 1 37443 1 20687 18069 14755 1 15710 18615 13544 1 1 15296 1 1 19592 1 1 18736 17766 1 1 1 15044 1 1 6457 1 1 C4 H6 O2 S 1 112235 26037 1 187046 1 1 1 52877 78305 61723 1 1 26427 1 1 14717 1 1 56314 1 1 1 1 1 34673 79478 88875 1 1 1 34954 18822 1 1 1 1 876.6575@3.4020755 1 1 6773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14205 1 1 1 2838 1 1 1 1 1 1 1 157.0175@3.3723931 1 25468 6108 1 44843 1 1 1 1 32698 13802 1 1 13332 1 1 1 1 1 10999 1 1 1 1 1 10209 28286 40869 1 1 1 15159 1 1 1 1 1 256.1065@3.3946197 1 1 19915 1 1 1 1 1 1 1 21034 1 1 1 1 1 1 1 1 1 11098 26904 1 1 1 1 1 1 1 1 14396 17124 1 1 1 1 1 Psicofuranine 71909 1 182777 68460 125251 107074 1 46712 150751 96230 222215 87162 127432 78508 69457 62025 62856 63626 48881 268413 107085 206941 42194 111641 39538 87334 78964 89589 67085 1 89924 82703 71520 92463 56487 43632 43270 875.6538@3.4378154 1 1 51681 67463 1 45239 1 1 99928 1 1 1 1 17402 1 1 1 1 1 1 1 1 1 1 92939 1 1 1 54623 15616 1 1 1 1 1 36235 1 C14 H30 O8 1 1 1117826 6026074 2177048 602587 1228846 40192 978293 957220 943763 1668598 2648512 2177163 738709 1386068 1353776 1396363 977301 64617 1201297 3608399 3154001 1263449 1326542 975784 1596206 56368 681847 930824 1230907 1383012 58281 48869 859759 727344 961795 C22 H31 N2 S 1 1 32853 32855 23392 20571 26433 22048 27811 31455 37767 28497 35875 30008 20250 21962 30080 21075 23315 25023 28471 32281 38288 30120 24161 22723 26876 14141 17196 12667 27565 28814 18681 18487 29045 27683 23898 C25 H51 N8 O6 S 1 1 28897 105048 302977 12784 1 1 40002 1 48650 23585 79408 105778 23509 1 136805 122604 35525 1 1 195227 158006 21367 71168 161689 150517 24980 1 1 14454 24513 8238 1 1 47317 40168 329.9346@3.474349 1 1 2335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2738 1 1 1 125.0144@3.4786885 1 1 3338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0254@3.4794219 8591 1 11262 1 17547 6469 1 1 7557 1 6016 1 8582 1 1 1 4499 1 1 20909 1 23620 1 4890 1 1 1 1 1 1 1 1 1 1 1 1 1 S-(Carboxymethyl)-L-cysteine 119740 1 81990 122218 151085 13437 181736 49693 7505 7407 92081 18862 103961 38757 1 47661 59569 44691 24880 69656 5496 387064 24475 15600 39141 155686 56292 12401 33279 57651 9877 16913 15861 68360 21567 1 129741 221.0899@3.4986422 1 1 226470 50690 1 71259 1 1 1 1 111274 45552 22947 1 1 14187 48024 1 1 127392 1 110878 1 1 1 1 1 1 1 1 1 1 1 40399 1 1 1 185.0692@3.5 1 1 32136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Psicofuranine + 3.517004 21426 72978 22515 14854 27767 13884 21830 9221 1 24849 29632 28617 24089 9840 18419 10484 1 7737 9821 117616 21055 43726 7507 23209 8606 13429 16786 14350 19406 1 10948 14389 17727 11976 1 1 15060 171.0905@3.5167413 1 1 39371 1 1 1 1 1 41443 1 35390 40721 47938 1 1 1 1 1 1 46623 1 50712 1 1 1 174800 28410 1 1 1 1 1 1 1 1 1 1 225.1005@3.519 1 1 39641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.0027@3.56644 6793 1 8020 1 1 1 6410 1 9693 8354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D-Alanine 174756 1 312622 105662 145196 132024 192649 89682 367728 216699 139544 217158 147719 132845 211882 71731 89632 65803 50828 342545 129531 259291 89470 117764 70352 159279 146116 92899 69874 32034 67038 109970 65012 130781 168853 149274 113751 D-Asparagine + 3.5735521 2049268 1 3540133 1295814 1511436 1475402 2251425 965057 4014687 2552663 1629159 1765964 1707903 1507315 2395111 835607 1119869 808629 432746 4061355 1515473 3102309 1111247 957068 859500 1731863 1575945 1052710 849928 283375 777092 1401715 527431 1572983 1844170 1627806 1313180 72.0325@3.5731711 12281 1 26690 9528 1 10239 17025 1 27510 19434 11572 17155 1 1 17808 1 8451 4586 1 28644 1 22066 1 7474 1 12919 11979 6927 1 1 1 10229 1 11439 14412 1 9960 C19 H8 N4 O 14455 1 21987 1 1 8477 14062 4572 29792 17157 1 12753 10804 8858 17258 1 6447 1 1 7941 13864 10123 1 2422 1 1 1 7159 1 1 1 1 1 6145 16053 8607 5880 300.1323@3.5859716 1 1 6119 1 1 1 1 1 7334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4936 1 1 1 1 1 1 1 1 1 1 1 1 1 Nalidixic acid 1 1 41810 20238 89677 57417 1 1 79220 61982 96206 1 20057 34007 1 1 46140 20081 1 100984 26454 22095 1 37082 1 87998 46488 80512 1 1 43268 1 12654 1 1 1 1 387.3345@3.6803207 1 1 31157 26346 1 26650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30852 1 22868 1 1 1 1 15620 1 1 1 790.0641@3.6311338 1 1 1634 1 1 1 1 1 1 3418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3728 1 1 1 1 1 1 1 1 1 1 L-Methionine 310171 449706 625345 226623 642415 328595 347023 261978 451750 342339 500810 498899 453208 231551 346717 172479 221302 152097 110794 506243 345589 741217 250613 293680 188722 524548 524509 307758 248206 91206 277692 484844 201594 264041 252707 219247 358665 Acetone cyanohydrin 85099 136629 176960 69906 198098 119168 100273 77117 132400 105646 153479 146091 133573 69702 105002 57879 63683 53912 38695 155976 110478 230889 73063 85645 54771 165836 165121 87637 75550 28200 78420 138248 68104 72005 72811 66364 106193 Propanethial S-oxide 15900 23209 27304 1 16417 17961 1 12398 26414 16941 17795 21216 23380 1 1 1 1 1 1 31905 10899 36641 1 1 1 25780 25799 1 1 1 1 25227 1 1 1 1 20006 C12 H25 N O7 1 1 62426 196939 63009 42879 133406 42388 78281 71311 65699 73304 154598 118677 47079 54113 80466 47238 86226 34053 228439 75599 184446 108656 118720 57682 70775 120523 86313 84586 129295 76880 25382 92589 77021 45491 39883 C27 H52 N2 O S3 66513 1 21190 1 12800 13829 12407 1 5215 7910 18968 9066 44133 1 1 4162 1 1 123270 335230 106198 7460 1 231649 1 1 5185 1 161053 1834 1 3260 1 1 1 1 1 521.2785@3.6302066 108733 1 15451 1 20289 18691 1 1 1 1 8165 1 25416 1 1 3108 1 1 84027 12152 1 1 1 242641 1 1 1 1 166203 1 6242 1 1 1 4768 1 1 4-Nitroaniline + 3.668444 149712 595867 495597 319262 964847 267920 571435 216437 279460 276926 723663 256202 620147 437087 262080 265909 375035 367507 91898 135121 102871 1325621 249435 263206 244924 1062457 852285 310822 135587 106766 249593 267922 228190 378953 63956 130017 188368 Phenylethylamine 1 1 128700 57291 104881 138164 116611 60094 1 1 116847 120988 100381 59064 104977 72659 63041 76762 76096 65642 94544 85678 46997 81200 62812 70900 68229 62190 64535 1 73517 75142 79278 1 75169 53712 68904 482.8711@3.6905549 1 1 57984 75424 31374 56145 1 1 126122 1 1 1 22792 14111 1 26466 17728 1 1 1 1 1 1 1 58524 29286 63859 1 43788 19447 23041 1 1 1 17462 30281 1 121.1301@3.7027206 1 1 5009 1 1 1 1 1 2049 1 4472 4338 3663 1 1 1 1 1 1 1 3231 1 1 1 1 1 1 1 2318 1 1 1 2637 1 1 1 2608 C21 H27 N2 S 1 1 13494 38043 1 1 21581 8063 1 10852 15216 17036 22168 19395 1 7530 11871 11619 13540 1 31806 15848 29550 18885 16335 8548 9843 20547 12596 15595 22215 11552 5772 14323 13474 1 6223 947.7112@3.6931572 1 1 45069 70404 27803 43899 1 1 107651 1 1 5824 20362 14057 1 17339 1 1 12702 1 1 1 15276 12933 52471 22044 54122 13978 30607 1 16557 1 1 1 12770 28131 1 C16 H46 N14 O S 1 1 107675 187466 58987 109139 1 1 247796 1 1 1 50521 1 1 46785 1 1 35493 1 1 1 1 38525 120630 68042 125466 37448 73434 38528 42087 1 1 1 35330 60217 1 C14 H18 N O3 S 10508 1 24441 7663 13665 17258 13702 6775 19036 14058 35154 14656 18883 13662 12130 6765 9710 5811 1 23181 8672 16369 1 15854 5452 23545 13505 17944 16156 1 12675 14016 1 9879 1 7191 13815 C9 H11 N3 O4 75730 59031 197443 57839 84941 52068 84197 49713 117036 76730 119680 182402 60012 65803 79753 57927 73696 63438 45232 260299 89139 211811 51739 114326 49257 125108 141703 73908 65618 18499 55483 69669 57614 56075 60955 40878 61233 111.0432@3.7297492 1 1 28245 1 1 1 1 1 18658 1 1 1 1 1 1 1 1 1 1 33801 1 1 1 1 1 1 19255 1 1 1 1 1 1 1 46823 1 1 N2,N2-Dimethylguanosine 17861 1 18953 1 17328 8481 18595 5360 9328 8638 15001 18038 15629 5677 11193 5634 9050 1 4310 51383 16024 26937 5518 23240 1 14886 8188 5917 16906 1 1 5807 9835 6685 4859 1 5673 C14 H24 N2 O S2 11090 9384 23576 1 16982 10000 13938 1 19897 14669 26703 10874 12653 16138 1 9230 1 1 1 20069 7197 34324 10539 18787 1 15290 1 10266 6938 1 13652 14452 1 16006 15222 13358 10203 C15 H44 N14 O S 53322 1 85354 201713 59679 115873 1 24803 327334 1 52900 42613 54458 53361 1 51071 37135 26738 31254 44624 27705 1 54540 42809 152076 65954 136654 43442 92036 47812 49217 1 1 35112 40918 62238 1 468.8553@3.7504113 12768 1 41408 91929 27427 49443 1 13643 153396 1 20517 15242 24276 23969 1 21276 17542 11117 11949 17416 10136 1 15790 16910 67548 30858 65761 1 41364 27664 24766 1 1 14782 17663 28129 1 919.68@3.7507517 15076 1 39180 85583 25243 43945 1 11471 152207 1 1 16346 24411 18230 8516 20884 15577 12064 12267 14426 9222 1 16097 17638 67424 28322 53961 16485 38134 33079 20954 1 1 14355 14827 29076 1 272.079@3.741 1 1 9350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C13 H10 N6 1 1 94058 27102 1 129742 22461 9216 151908 129341 135933 91683 60721 56309 1 39603 36143 1 28169 229223 115560 69546 18530 137240 1 54780 14910 113188 36861 1 71313 59441 57716 35635 1 17015 43279 420.2637@3.765 1 1 8952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.29@3.776303 5212 10474 17357 1 16738 3421 9132 5350 13375 1 7357 1 1 11639 6517 1 1 1 1 1 1 11164 6309 1 6117 8088 10933 4563 1 19748 1 4167 1 5935 1 9811 11173 754.0359@3.7941723 1 1 4519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7473 5-Methylcytidine 95402 72583 99927 62052 98597 72792 76126 35940 115397 117810 143494 155333 130627 46606 92830 52318 61755 39432 54769 301361 145957 155566 34119 106889 35785 88921 75515 79742 91915 22746 56917 52358 64925 58160 29036 34078 58514 Methylenediurea 436160 929270 564770 209484 1654757 748116 560505 794999 552959 514815 997961 179381 336821 775199 564230 513155 694753 429980 1089466 1820446 196214 546609 510395 335203 1544700 692633 1045368 1068241 606482 1 1476473 351903 138563 283502 375442 469966 164683 Urea + 3.788126 32054 50771 56779 17149 132749 51752 44596 55480 46267 41667 86019 13761 30268 56836 48851 39482 51962 32113 58940 144376 20138 59500 36508 29096 107393 65631 83064 77500 47878 1 107394 26045 15352 22404 1 37116 12913 Cytosine 75204 60753 74923 53431 66925 58906 61046 1 94586 87548 111226 125112 102184 35738 74676 47909 57742 34279 41796 212774 111165 111852 29333 89445 1 81040 67027 59420 66892 1 46763 49414 60327 46759 27403 21406 59966 N-(Aminomethyl)urea 24535 34549 38322 8515 98020 38794 30466 40971 35785 26924 57256 1 22278 40127 35272 28404 36702 23308 42555 98759 10107 39283 22803 19373 1 43752 63358 53475 33189 1 1 19441 6692 15663 21482 24720 1 438.215@3.809642 1 2833 4521 1 1 1 1 1 3417 1 1 1 1 3700 1884 1 1 1 1 1 1 4286 1 1 1 1 1 1 1 5040 1 1 1 1 1 1 1 Ramipril 1 10224 14679 1 16562 1 1 1 12249 2417 7693 1 1 9296 1 1 3096 1 1 1 1 10043 5288 1 1 4910 7354 7969 3920 12947 2440 1 1 8262 1 6554 8665 266.0016@3.8045778 7678 1 12340 1 1 1 1 1 1 1 5768 7820 6892 1 1 1 1 1 1 1 1 17219 1 1 2818 7761 7337 2240 1 1 3009 1 1 3295 1 1 1 624.1164@3.806604 1 1 3603 1 1 1 1 1 1 1 20517 1 1 13726 4136 1 3828 1 1 1 1 1 1 1 1 1 1 1 1 1 3271 3802 11392 1 1 1 1 C35 H59 N2 O4 S2 1 1 21223 78265 244942 10132 1 1 32710 1 38070 19257 58353 75091 16008 1 102407 99100 30480 23724 1 256060 132579 15406 60095 118989 109919 18987 1 14794 1 16773 1 1 1 33090 27876 392.2328@3.8177936 1 1 6399 1 72424 6035 1 1 59444 1 1 1 1 51586 31038 1 1 1 1 1 1 19810 32016 1 1 13359 1 10408 1 81832 1 1 1 32143 1 13038 59675 409.26@3.8221762 10236 22108 40574 1 1 12688 18062 12449 1 1 18367 14189 1 1 1 7677 11181 7578 10207 1 4514 30956 1 1 22023 25121 27377 21348 9492 1 9616 15034 8142 1 7129 20750 1 414.2148@3.827617 6626 12197 21036 1 1 1 1 1 1 2209 6243 1 1 1 1 1 1 2838 3986 1 1 1 1 1 11183 1 15868 1 1 1 3120 5827 1 1 1 1 1 535.6048@3.8273792 1 1 29780 11250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 521.5896@3.8380432 1 1 237030 183802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191244 1 1 1 1 1 1 1 1 1 1 1 507.5736@3.8423672 1 1 26815 7454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2750 1 1 1 1 1 1 1 1 1 1 1 Adenine 82729 60823 199172 56615 250173 51288 60040 29757 242682 32936 116038 69763 81955 86584 51066 50853 70102 1 26084 155471 49552 253635 57704 41660 96912 111940 50031 32587 29830 75530 65463 78994 60539 59358 41055 48372 33071 493.5583@3.8531861 1 1 129215 35175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14279 1 1 22852 1 1 1 1 1 1 1 16645 1 1 1 547.6053@3.849696 1 1 14977 53135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22663 1 1 1 1 1 1 1 1 1 1 1 479.5424@3.8423743 1 1 14211 4005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465.527@3.8596818 1 1 39216 8970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5908 1 1 1 1 1 1 1 1 1 1 1 451.5105@3.8663397 1 1 7854 6113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2255 1 1 1 1 1 1 1 1 1 1 1 C15 H31 N8 O4 81537 1 193946 1 638777 138921 274573 96039 266334 162794 191097 309040 1 601699 166689 285879 328096 321447 164527 168442 158444 1 1 89482 202257 300156 1 132039 115178 156525 200432 363560 101214 94822 132535 185645 182604 437.4951@3.8799467 1 1 12744 8670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1882 1 1 1 1 1 1 3679 1 1 1 1 1 1 1 1 1 1 1 Monuron 13031 1 19142 1 56530 1 17980 7808 10961 14117 29292 1 1 1 14008 4769 1 16727 1 45441 1 65815 1 1 1 17781 20199 1 5445 1 1 12114 1 5059 1 6088 5967 476.8521@3.8862183 1 1 3526 16722 1 1 1 1 1 1 1 1 1 2575 4698 1 1 1 1 1 1 1948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.4641@3.895099 1 8502 12542 54089 4175 1 1 1 1 1 1 1 1 1 5953 1 20505 1 2496 1 1 1 5282 1 1 18676 1 3785 1 1 1 1 1 1 1 1 1 635.5842@3.8939934 1 1 10173 4918 1 1 1 1 7884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C11 H19 N O4 29717 1 81651 1 1 1 34265 1 1 1 1 70044 50113 1 58847 1 1 1 1 36524 22029 37570 1 31095 1 81837 50892 1 20933 1 1 1 1 1 1 1 1 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1 1 1 1 665.5985@3.9350028 1 1 37920 318131 1 1 1 1 1 1 1 1 46843 1 1 1 1 1 1 1 1 1 1 1 1 34961 1 1 1 1 1 1 1 1 1 1 1 862.6121@3.9325092 1 1 5229 1 1 1 1 1 1 1 1 1 1 4274 12031 1 7334 1 1 1 1 1 1 1 1 10552 1 1 1 1 1 1 1 1 1 1 1 667.6114@3.946645 1 1 101887 1 1 1 1 1 1 1 1 1 38465 1 1 1 33769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15233 24107 1 1 1 681.6244@3.934 1 1 9532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.5634@3.9443405 1 1 6106 59140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.5954@3.9443407 1 1 10890 20998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 695.6419@3.9311829 1 4537 73904 1 1 1 1 1 1 1 1 1 1 1933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12870 16288 1 1 1 639.5796@3.954061 1 1 57208 93496 1 1 1 1 1 10226 1 1 19269 1 1 1 22277 1 1 1 1 1 1 1 1 22003 1 1 1 1 1 1 7947 16822 1 1 1 679.6092@3.9016812 1 1 9543 7683 1 1 1 1 1 1 1 1 4502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Lupanyl Acid + 3.9595964 1 7993 22481 1 1 16221 1 1 8743 4390 15598 1 1 1 1 1 1 1 1 11888 1 1 1 1 1 1 1 16376 1 1 10544 1 1 1 1 1 1 226.2046@3.952534 1 1 8734 1 1 1 1 1 1 1 6110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5920 1 1 1 1 1 1 1 1 1 Barringtogenol C 58422 1 124366 281694 91289 142885 1 1 461747 1 60117 54306 79275 58429 1 74492 56434 43609 43719 44636 39125 47287 50021 52035 219587 94336 182079 61117 130969 101207 76118 1 1 45391 50009 90620 1 C15 H31 N5 O3 1 19456 32353 1 1 25187 1 1 10437 1 17542 1 1 1 1 1 1 1 1 14236 1 1 1 1 1 1 1 30154 1 1 17465 1 1 1 1 1 1 C14 H3 O14 S3 31703 1 64367 129042 44689 78535 1 1 219606 1 26976 27622 27704 31368 1 30888 26454 17524 16306 20340 15872 1 19643 27122 104567 42370 85392 27482 66261 43603 32355 1 1 19677 29170 43274 12126 963.7058@3.9612942 18887 1 32571 72132 24234 39062 1 1 119484 1 12634 13322 18182 15458 1 16364 11633 8565 9442 12975 1 12144 1 15532 54779 22110 44231 13773 32358 24511 18503 1 1 11663 12720 22071 1 611.5479@3.9647267 1 1 12088 23602 1 1 1 1 1 1 1 1 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13731 7481 10086 6291 602.5272@3.9765873 1 1 6800 1 1 2469 6803 1 2433 1 1 5157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6021 1 Melamine 33776 1 50512 331190 48404 34437 51673 26971 52208 39164 40582 1 39551 40887 33948 36924 112919 46122 30949 35245 1 56060 93409 30407 1 36509 47694 32178 1 27545 48563 142352 31371 1 35779 31369 1 Mephentermine 256830 1 238612 247568 247625 229902 235994 232798 242044 223784 243211 234091 233010 232866 228404 231273 227830 221524 218921 228115 210529 227280 239251 228186 228054 218515 230191 231343 229242 238814 239381 228438 223408 8969 11084 194221 226482 443.3248@3.99669 1 1 8657 1 1 4539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5982 1 1 1 1 709.6224@3.99 1 1 1999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.085@4.0024114 1 1 23087 1 22151 1 1 1 15429 32736 37598 1 1 1 1 1 1 1 25539 131071 38646 1 1 36232 1 1 1 22048 20373 1 1 1 1 1 1 1 13134 763.5178@4.003007 1 1 7682 1 8917 6232 7754 1 1 1 1 7756 1 1 1 1 1 1 1 16903 1 1 1 13136 1 1 1 1 5543 1 1 1 1 1 3838 1 1 574.495@4.0065103 2341 2291 10563 1 1 4113 7143 1 3942 1 1 1 1 1 1 1 1 1 1 2703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4499 1 426.3614@4.001598 1 1 10839 1 1 1 1 1 8851 1 1 1 1 1 1 1 1 1 1 1 6899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 768.4921@3.994 1 1 9922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C29 H38 Cl N6 O2 1 1 2645 1 7244 5827 253621 1 8529 1 13540 1 21519 6086 1 3519 3981 1 1 187381 1 1 7469 184143 1 4595 9277 4190 1 1 6754 1 1 1 2772 7546 1 485.4224@3.9768193 1 5932 16458 1 7973 1 1 1 9037 1 4135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0845@4.0155044 1 50745 21963 1 1 1 1 1 1 1 19301 9554 1 14623 1 1 1 1 1 16794 1 1 1 1 1 11918 1 1 1 1 1 1 1 1 1 1 1 429.3085@4.0098586 1 9477 10423 1 6951 5472 7139 1 1 1 9665 7042 1 6132 6776 1 1 5664 1 9063 1 1 1 4961 1 7059 17569 1 1 4315 1 1 8690 1 8004 6488 4282 371.3394@4.006 1 1 14937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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1 1 1 1 1 1 1 1 1 1 1 1 8701 1 1 5556 1 1 1 1 1 1 7-Methylguanine 160190 124563 374743 132622 190319 279312 191608 112765 363903 248905 376098 217588 269266 199806 168559 126553 216362 118622 109862 436132 174458 316349 103160 214463 97966 340453 241584 220109 177778 38058 198313 157958 131233 166865 109775 109967 141886 239.2252@4.086113 1 1 5042 1 1 1 1 1 1 1 4553 4499 3431 1 1 1 1 1 1 1 1 1 1 1 1 1 2605 1 3177 1 1 1 1 1 1 1 1 C23 H41 N 1 151171 271347 440220 186325 98803 162298 85043 376329 90058 68068 1 89609 104494 1 82426 88216 66620 138822 72680 1 1 120954 1 82391 137917 78039 155533 1 103013 780776 1 75544 1 1 161566 129648 C4 H7 N3 O2 1 15671 47909 1 27670 28516 20126 1 31060 34213 58033 1 1 24739 18150 17303 26991 20245 1 61491 1 49164 14710 1 20990 25671 29196 29622 1 1 24004 23831 1 16432 1 1 12801 672.815@4.0950146 1 7386 3460 1 1 1 1 1 1 1 1 2948 1 8084 14483 1 4770 1 1 1 1 1 1 1 1 9420 1 6977 1 1 4993 1 1 1 1 1 1 1035.7635@4.0949893 1 1 33928 56074 20370 32293 1 1 76349 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181900 186594 181873 179437 163818 176664 167013 192633 185089 193792 197325 188545 180304 184866 184606 187581 184054 184955 180874 190534 186846 179138 Sphingosine 1 1 15690 1 15004 8176 1 13536 7898 7960 9510 13166 1 1 1 1 1 1 1 8879 1 1 11455 1 1 8958 7824 1 1 1 7726 1 1 1 1 1 1 C20 H43 N 1 40206 165369 33764 1 23356 15270 19269 9530 20959 212924 1 12939 1 7283 12637 16256 8608 7430 1 1 23190 10643 10824 8547 18982 1 18513 16064 1 563383 12285 67659 21616 1 10461 73857 C3 H10 N3 O6 9048 1 18082 1 71121 12642 11769 13623 1 8457 25978 1 5669 21842 11178 9115 14416 9225 29027 85523 1 18086 15187 3848 52543 18599 24706 31280 7384 1 1 5664 1 1 1 10461 1 C22 H45 N O3 + 4.1897645 37138 1 92220 44082 121542 17692 72652 32767 69922 1 18667 18090 47078 38587 48325 49838 55494 14216 13106 43498 16990 1 48103 1 48069 44684 53966 41436 43802 86621 43043 34920 1 1 1 1 1 5-O-?-D-Mycaminosyltylactone 17732 25852 28619 14960 30110 26817 21570 18342 24436 21284 21422 23615 17278 18894 24525 17817 15869 21438 17066 22108 16455 19803 13900 16778 18684 17485 18567 13690 19078 15753 15786 16957 20478 14942 12843 19978 15899 Istamycin C1 55416 1 104640 893990 300755 80926 155402 49450 165419 77287 130666 118311 192506 246803 101928 95180 149441 153627 69517 93872 62183 481667 990521 71197 90592 197703 183795 79954 57186 74100 109076 165789 61404 47632 75285 114844 102813 C20 H35 N O5 181068 299115 316418 184141 262044 305456 244907 156606 265868 260267 305423 312375 280907 182704 206333 227668 153668 208535 179737 210657 143805 213749 208000 199604 154467 205369 221747 211334 226129 202083 209433 245388 190792 155119 257851 211286 179058 621.4961@4.1946783 1 1 14269 8839 18413 11167 5280 1 6144 6235 7783 8705 6388 5637 1 3824 1 1 4411 1 1 1 1 5124 7300 6762 1 1 2954 3716 10689 4192 1 3863 6392 1 1 C25 H50 N2 O2 11651 7023 32055 18645 18936 34577 1 3551 17568 1 7040 11194 18077 16849 3650 13495 10804 2545 7833 1 5896 8316 1 14715 17480 13382 37777 10710 17142 15078 11345 5178 1 8640 8806 21305 1 367.4174@4.210986 1 1 41412 57854 42956 31292 33543 1 44946 28298 1 1 29775 23512 1 21906 28746 1 35113 1 24731 1 41968 28151 35989 40388 28004 42032 32007 32319 23336 27086 1 21588 22602 28292 27017 765.2116@4.195 1 1 1979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.3497@4.206519 1 1 11221 1 13802 1 8154 1 4623 1 1 1 4540 4012 1 5244 5878 1 1 4067 1 1 1 1 4452 1 1 3518 4743 11133 1 1 1 1 1 1 1 648.7949@4.200623 1 1 3564 1 1 1 1 1 1 1 1 1 1 1 9955 1 1 1 1 1 1 2674 1 1 1 10175 1 1 1 1 1 3286 1 1 1 1 3866 1-methylhistidine 15140 1 37255 23208 13599 1 11946 9655 55196 44362 50679 27935 37478 54899 12206 17191 35564 26822 1 26775 1 16600 16115 16811 1 25998 20900 15003 1 1 24219 22710 18200 26354 1 11526 1 537.3663@4.2207932 1 15507 22042 1 15793 9844 11367 1 1 10527 9339 7532 1 8500 14467 1 1 11387 3605 13380 1 1 1 1 8316 8552 2869 1 2845 6305 1 1 18456 4222 1989 10024 4840 385.3901@4.2252793 1 1 10493 1 9268 1 5893 1 3207 1 1 1 3486 1 2433 3727 1 1 1 1 1 1 1 1 3802 1 1 1 1 9676 1 1 1 1 1 1 3158 D-Proline + 4.22679 1 39433 99128 1 1 114742 109158 63451 74801 89777 145456 99940 113947 66026 52294 58297 67855 64636 62574 149985 142158 111928 50742 70832 67770 1 1 118177 108735 1 112202 110472 56079 87022 116741 90697 62066 230.163@4.224277 1 1 16570 1 13424 13620 10448 7405 12949 11015 13451 14120 9694 9251 1 12578 9895 7477 8064 11403 1 1 1 1 11473 14111 11152 12258 1 1 1 1 8034 1 10162 1 1 339.3855@4.2361097 1 1 10330 21639 11682 1 1 1 11248 1 1 1 1 6218 1 1 1 1 8890 5284 1 1 12830 1 8014 14992 1 8618 8126 1 1 1 1 1 1 7610 8117 C16 H33 N O2 18567 36914 22129 50425 23696 10749 22693 9158 28094 31533 17316 19447 49056 15116 14717 18073 10664 12940 25857 21087 11361 31407 47007 33313 12089 17261 29620 7644 21740 20753 33107 8591 20203 9404 28756 25119 9520 405.995@4.224003 9568 1 7294 1 4735 1 1 3572 1 1 1 6525 1 1 1 1 1 1 1 1 1 5793 1 1 1 1 1 1 1 2750 1 1 1 3258 1 1 1 343.3083@4.231048 1 1 46344 30263 29439 1 17503 9267 26049 1 1 1 16474 13217 19557 12872 14866 1 1 12916 19045 1 11614 1 20117 16131 17574 16874 10671 21366 19572 10648 1 22384 1 1 1 Cytosine + 4.227604 645632 1 566951 314381 366869 259691 711678 346925 466190 204729 331622 552180 462323 143760 506175 211938 211299 121847 83844 892410 304208 1210828 130310 413370 217050 316793 351007 277326 396555 177792 180226 401882 301856 430830 200195 245066 333682 Cytidine 2352104 1 1905368 703633 1153456 537055 2652797 878596 1326917 464258 868503 1841750 1393206 297033 1462058 508903 498156 248859 169595 1651985 789211 5983692 284959 1105255 466302 801737 909410 677136 1114008 365018 377534 1071451 706319 1202928 443748 534637 825634 323.0256@4.2288594 13260 1 22337 6358 13173 5114 20301 9044 1 1 7598 11824 9719 1 9894 1 1 1 1 15184 7757 19768 4039 9884 1 5665 6447 5492 1 1 1 1 7041 13073 1 5457 6588 C12 H15 N9 O 26757 1 18823 6757 11883 5659 18654 1 10993 1 11219 12826 11401 1 12054 1 1 1 1 33803 6432 49912 1 9874 1 1 6113 1 9354 1 1 9912 5340 8956 1 5015 5326 d-Dethiobiotin 20485 1 17775 11589 30942 13502 1 24182 11352 1 26835 1 1 12286 25433 1 11450 18779 39655 1 1 1 10106 1 58000 20278 32503 1 1 1 11992 1 1 1 16038 1 1 566.1115@4.2218065 5564 1 6231 1 1 1 1 1 1 1 1 3446 1 1 2605 1 1 1 1 1 1 17202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.3779@4.228629 1 8551 14503 1 11977 1 7939 5832 1 1 7112 1 1 1 11667 1 3304 11645 3446 10249 1 1 1 1 1 1 1 1 2609 6546 1 1 12452 1 1 8198 5958 C20 H43 N O 55957 25842 130981 264099 157026 28838 106543 41032 80921 18023 53607 23231 61475 53095 55230 70892 85681 14560 14735 62279 18327 15411 61841 31106 76507 68948 74014 68477 54851 154334 81236 44737 23922 12404 30227 31575 40980 244.223@4.2347803 1 1 7526 1 10496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4620 1 1 1 9482 1 1 1 1 1 1 1 1 1 1 1 1 1 225.2089@4.232404 7649 1 29270 1 33302 1 1 15068 1 15230 1 1 1 1 15972 1 1 1 18320 16479 1 17031 1 27781 1 1 1 1 1 1 1 1 1 12455 1 1 1 521.3333@4.241827 1 1 18090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9020 1 1 1 1 C20 H24 N4 O6 S 27619 24150 30873 24480 43154 25968 26393 17361 28675 28822 30274 30438 23435 23756 22204 16721 15090 1 17649 16015 16406 19185 12842 1 17460 20718 10874 1 17959 18082 20019 13936 1 12447 10716 1 9874 408.3701@4.2443666 1 1 7310 1 1 7964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7958 1 3699 2646 1 1 1 1 1 1 1 C20 H45 N4 O2 1 25115 265850 26690 111330 101719 69020 28520 235757 1 126147 86828 54143 31489 18978 48915 48396 1 15528 34622 24706 1 209970 1 35813 33254 37152 27155 36213 40067 197732 71709 26604 11289 43511 25099 1 382.3559@4.261459 1 1 6841 1 3978 5279 2190 1 1 1 1 1 1 1 1 1 2469 1 1 1 1 1 1 1 1 1 5311 1 1 1 1 1 1 1 1 1 1 301.2388@4.234 1 1 9995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.2512@4.238652 1 27243 6860 5555 1 1 4465 1 1 4133 1 8005 1 1 1 1 1 1 1 1 1 1 1 4406 1 1 1 1 7039 1 1 1 1 1 5929 1 1 C24 H43 N S2 1 19917 29379 10782 18440 25529 14546 1 17160 18449 18742 20644 20041 11467 11278 9038 1 15122 11707 13905 1 1 11413 16219 15080 19901 14129 13963 14467 1 18232 11148 12996 1 19289 11531 1 C31 H59 N4 S2 2314 12485 23649 2946 21147 20050 10925 1 1 6710 1 20289 7534 10505 1 10841 1 6379 4071 3806 2339 4138 1 12712 1 7908 1 11301 8143 3898 11527 7691 1 1 12802 6898 5497 C18 H31 N O5 206556 257892 273523 204291 277739 308614 259429 168510 264400 233881 266869 292398 337200 202651 206994 251199 179058 187016 163706 228442 155223 221294 235415 219802 170805 196065 222364 223838 195211 210139 209713 231064 181688 195393 262556 203323 181165 C22 H47 N O2 1021115 392147 2474209 1011981 3324274 550989 1964986 663588 1491166 206717 595429 462334 1301504 1051792 895776 1204718 1171596 254393 270091 938948 329399 238225 970056 345642 1176451 1024526 1377651 1015756 943892 2314185 1308502 928224 603546 281307 946080 1053194 1022338 401.3671@4.2517886 1 1 39688 1 36621 1 21450 1 1 1 1 1 1 10486 13906 1 1 1 1 1 1 1 1 1 1 1 16090 1 1 24148 1 1 1 1 1 1 13705 565.4347@4.2648892 1 1 9329 1 1 1 3319 1 1 2891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1936 1 1 1 1 1 1 2008 1 1 1 1 1 399.262@4.2549367 1 12146 10323 1 1 7131 11784 1 1 9343 12203 6395 1 7662 11755 1 1 1 1 11874 1 1 1 1 6205 9123 4823 1 17737 8431 1 1 9330 1 1 8605 1 C13 H29 N4 O + 4.2579527 14692 29218 44879 20907 30214 37625 20170 18276 27609 30892 33565 35313 29029 17625 25718 17872 18082 32294 20756 27123 14010 29379 18938 29145 23548 40970 22865 23301 25237 29147 26154 25492 26692 18019 30368 36341 30569 397.3163@4.2522163 1 1 4374 1 1944 1946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 548.4088@4.264088 1 1 271287 477591 169613 268853 1 1 545824 1 1 134365 1 1 1 143216 1 1 1 1 1 1 1 1 265631 133041 341279 1 180606 184806 132607 1 1 1 1 168748 1 548.9103@4.26132 1 1 144889 240517 99298 150956 1 1 298740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156057 1 160739 1 1 98199 1 1 1 1 1 1 1 C16 H39 N7 O2 S 37659 114322 179226 46343 126134 165345 81074 50085 95533 108171 140876 135480 102431 57817 95636 69402 49013 102402 61517 95701 37229 67928 58008 84351 72061 106668 76144 102619 88823 75194 72274 87147 101584 50474 106006 82103 69206 1079.789@4.266391 12770 1 33388 47491 19101 27829 1 1 57256 1 1 1 1 1 1 13476 1 1 1 10057 1 1 1 1 29265 15881 32981 1 22200 18062 13958 1 1 1 13262 20364 1 443.3969@4.267499 1 1 12507 62365 1 1 1 1 1 1 1 1 6381 1 1 1 1 1 1 1 1 1 1 1 1 3747 1 1 1 1 1 1 1 5574 1 1 1 C20 H35 N O4 87630 138450 179823 137206 173575 181402 140545 84433 179291 157846 167696 204107 159632 133018 120186 118394 97659 104967 120178 113979 97637 141420 126885 148230 114133 118105 119190 96235 143569 118138 163629 130810 96828 83342 161254 101332 99979 C17 H37 N O 8984 11995 23143 12612 28392 17487 19739 6652 13538 1 14803 22000 17522 17326 11194 14550 1 13704 11968 10702 18223 14062 1 1 12592 10836 1 10960 6178 11829 15269 10021 1 1 1 1 1 C19 H41 N O2 25289 36045 36927 19380 36471 2587 24648 1 23410 1 1 1 28648 1 24940 24838 1 1 30501 1 29342 1 17296 29354 14785 16541 1 1 1 1 1 1968 22337 20117 1 9954 8450 287.2251@4.2694664 1 1 18982 1 1 1 1 1 1 8375 1 1 1 7472 1 1 1 1 1 1 1 1 1 1 1 1 1 7014 1 1 1 1 1 1 1 1 1 341.3649@4.265 1 1 8848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.3448@4.2731676 3161 1 6816 3121 10979 1 5751 1 6400 1 1 1 1 1 2468 2799 3765 1 1 1 1 1 1 1 1 2922 1 1 3116 1 5067 1 2036 1 3106 1 1 251.2358@4.267 1 1 2526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.2772@4.2701387 1 1 37841 1 10380 1 1 1 1 1 1 1 1 1 22995 1 5756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18624 1 1 1 2S-amino-tridecanoic acid 13219 6779 44095 36937 39688 1 49023 25229 36969 16418 78504 49598 33872 26752 32058 49814 22558 44981 30715 26949 21451 36121 36185 1 31749 34975 27490 27510 44261 24910 39375 28681 1 17415 37820 18208 20855 227.2611@4.2850976 1 17955 19656 155314 19605 11481 35727 13740 16035 35725 1 8887 1 1 1 1 22310 12173 15948 1 1 1 15895 37487 19656 26965 15866 1 1 9188 10471 1 1 16426 1 17196 1 C20 H43 N O2 29745 13198 82136 31200 116574 23323 50626 21857 49530 8818 19004 17406 39811 32622 24295 32793 32218 9298 11695 25505 14180 9537 30509 12376 32617 32614 40061 28827 28242 64190 38239 25731 20221 11599 28861 31406 25703 C14 H29 N O2 5696 28362 21173 11233 1 21241 55296 32639 10122 17555 18290 22327 21449 59625 12852 11884 36724 13679 17141 1 44823 8333 47329 19470 69195 17200 10809 35947 56563 77087 120873 45317 12241 15720 64228 17407 12269 Pumiliotoxin A 1 20644 22469 8935 17697 10168 1 1 10866 1 16986 9715 12659 12516 14940 18753 11151 12286 1 12567 20245 9731 1 1 14593 13882 16764 24932 1 12841 6484 1 13055 16938 10376 19656 6693 171.1982@4.358289 5533 10074 6651 11946 1 11991 1 1 1 1 1 7553 1 1 5854 1 1 1 10923 1 1 1 13013 7759 1 1 1 1 9070 4163 1 1 1 1 8493 1 1 495.2616@4.292 1 1 5077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.3653@4.2942324 1 1 8361 83247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.3237@4.3038855 1 1 93731 264115 50592 1 1 1 33345 1 1 1 1 1 1 27860 1 1 1 1 1 54921 34773 1 28476 71588 1 92073 1 1 1 1 40862 1 1 1 35949 598.5269@4.305395 1 1 4908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C22 H39 N S2 1 27850 31220 14590 28506 23270 28357 1 21781 22461 25106 1 27981 23371 18558 17493 14530 18066 14838 21341 14353 19639 16561 1 20202 21064 20090 17888 1 16372 18897 17690 17944 12330 17912 20242 15200 470.1758@4.312896 9762 21773 5248 1 1 1 17101 1 1 1 1 7697 1 1 3894 1 1 1 1 21173 5591 31982 1 10836 1 1 1 1 6041 1 1 3089 1 3736 1 1 1 541.434@4.297092 1 1 17394 616657 1 15101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C39 H67 N2 O6 S2 1 1 10641 37511 132901 5085 1 1 17663 1 20405 6468 26606 29286 9873 1 48520 50312 16535 13847 2896 123619 68510 8744 34160 60555 56405 11117 3972 9462 6759 8918 4763 1 1 16434 12902 397.2821@4.3055577 1 7227 11495 1 7889 1 1 1 7995 7900 1 10327 8814 4648 1 1 1 1 5148 1 1 1 7144 9125 1 1 1 1 8190 1 6153 5473 3601 1 6354 4810 1 1051.7584@4.316585 10438 9987 21574 52932 15743 25321 1 1 75979 1 1 8948 10908 9260 1 12538 10555 1 6306 10204 5455 1 9252 1 33718 14690 28103 11210 21535 16571 13134 6713 1 8121 10817 17681 1 C15 H3 O20 S 49198 1 98307 241043 79233 122767 1 1 334528 1 46870 45862 56324 47692 1 55857 42498 1 1 1 1 1 40028 36569 163963 66922 136129 45688 102394 74706 61798 1 1 43145 42227 74602 31908 C16 H44 N19 O2 95043 1 200065 435899 142895 204485 1 1 634164 1 1 100162 114843 93039 1 101425 86267 74259 87536 1 1 1 80646 1 310425 130291 262343 95700 174078 156217 114174 1 1 89123 89161 138030 1 C26 H20 N5 O3 1 14537 14485 10241 6401 16209 12237 1 15552 11340 15786 14414 10382 5851 1 8983 14214 1 3479 16855 10827 7517 1 9337 10037 1 1 14366 5412 11567 8232 7337 15576 13521 13298 12457 12911 133.0253@4.311915 1 1 7540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2164 1 1 1 1 1 10310 1 1 1 1 1 1 C13 H18 N6 O5 17795 1 133743 29164 182900 237329 16417 5815 254550 230947 484388 45598 24206 53231 40258 26858 74747 53098 52347 137985 109943 87232 47363 32355 21402 168726 260756 166209 32482 1 206266 131259 12986 10423 9068 6052 15031 498.1879@4.31193 14619 1 11470 3189 1 9565 18833 1 12671 1 19691 17127 16590 6555 10510 1 1 4940 8894 1 19901 26369 1 15778 1 7362 1 6399 5670 1 8406 4876 1 8682 4412 1 5123 Cytosine + 4.314314 1022153 303653 1169745 660318 1105299 1202882 1256353 629199 1301756 1145143 1747697 1204760 1178997 804130 1007611 752026 821576 757683 768767 1454774 1221237 1498494 699559 1260505 610335 1048331 1174604 976646 888053 301261 1114527 880170 621025 875902 609712 665635 694171 Deoxycytidine 1177943 275548 1110917 509951 673056 854021 1293770 476267 1082044 726517 1670384 1465523 1470258 701339 1050256 640129 700450 621651 745747 360253 1383135 2023591 589612 1253213 439885 830544 560607 664927 576288 158089 866171 602739 438791 897630 441110 525364 575441 C17 H11 N4 8563 1 9571 1 1 10310 12377 1 8888 1 13012 12421 1 6924 1 6839 6872 7567 7010 1 9824 12216 6629 1 6010 6672 1 8176 1 1 7229 1 5671 1 6665 8639 6971 291.2207@4.306 1 1 10583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C17 H21 N2 S 76301 193989 62013 32849 45338 49582 54902 29618 53003 43204 84322 59099 66293 32571 45373 31563 38622 31605 38489 40295 44082 99669 30723 43152 25404 37712 28370 28551 24056 12046 40765 34773 26314 38448 22798 28409 25804 C19 H41 N O2 + 4.316306 30446 42033 79289 32870 89268 59257 55115 26099 41430 38715 68985 68763 47784 37128 29686 34745 29850 40579 42649 32823 49893 1 32958 51906 33002 32035 37722 45007 31752 54651 43518 31834 41042 40962 36082 31820 26596 Erythrohydrobupropion 1 17559 23936 19204 1 1 22916 1 18268 10409 15305 1 23953 13465 1 1 11288 10792 12744 1 12400 26637 20053 20657 19779 10888 14329 14682 15217 1 18089 1 1 13132 7967 1 1 C15 H33 N O 8850 24152 37943 30252 45344 35378 33351 18653 31405 32867 34885 47066 33705 35040 29287 28692 23954 30914 26716 20518 31738 26928 26170 29022 21861 24874 27355 18161 19852 33500 31101 20605 1 1 1 1 1 C21 H35 N O4 23469 78525 135298 60497 123294 133509 112804 52923 108539 103188 120845 108564 121498 29688 97646 68972 1 94125 66199 92135 59950 91540 59925 80706 1 87177 86830 97654 76103 22136 1 91035 88392 45173 1 37668 78907 Taurohyocholic acid + 4.3186736 242791 1 14844 2376 9755 48053 795638 1 29655 63957 89013 1 26866 12574 1 1 1 1 643246 2716308 494350 14558 1 1003531 1 1 1 1 1196275 1 32018 1 1 1 1 1 11555 Palmitic Acid methyl ester 1 56180 67144 30373 1 61283 1 1 42146 1 68239 1 57393 51872 1 1 1 41473 1 29989 46775 1 27304 42396 25190 1 33135 1 24596 33889 41993 25865 1 24235 1 1 12854 N-(3-hydroxy-7Z-tetradecenoyl)-homoserine lactone 49871 7656 100091 78777 102081 80043 93871 56782 95537 81813 106370 122973 105410 88584 63438 77002 68091 56469 62528 61744 76557 74126 75587 88078 75616 63508 69678 49705 66527 73945 122111 65573 60191 47200 84697 65413 50450 441.3436@4.3269167 1 1 8511 1 1 6262 1 1 1 1 1 6714 1 1 1 1 1 8500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8861 1 1 1 4899 287.2456@4.328615 1 1 29040 1 20375 10014 1 1 1 1 1 1 1 1 54030 1 18100 1 1 1 6916 13862 4849 1 1 1 1 1 6399 1 1 1 1 19202 1 1 1 664.1396@4.322 1 1 2371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.224@4.33 1 1 10500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C9 H18 N2 O3 215859 28847 37669 44705 103067 30974 81825 198318 30806 30468 70145 22210 34164 48893 174886 59407 47661 79116 170400 41420 24296 50524 41975 34563 539812 234199 478293 28799 27753 20297 29751 29074 16296 1 32510 55732 33921 C23 H39 N O5 26693 61690 78761 33237 51927 66139 41739 37163 53848 43499 81279 84684 71668 34221 42377 45404 28643 63939 38448 44771 29092 46725 29267 51758 51154 56679 41278 79624 54627 50306 37083 51499 41688 26442 55273 41479 46029 C17 H37 N 15141 28301 20204 64461 17956 24128 19628 15048 25013 17886 18463 16859 17612 17378 14130 21295 16974 16626 28252 19143 15061 15802 19120 16661 19188 18300 30523 17751 18170 16634 94266 15620 13271 16660 13088 16447 18910 Fortimicin FU-10 26521 61258 30143 11551 19030 28223 37517 10956 30420 23112 55179 25502 27582 16425 23331 11349 19598 16062 20999 50932 21200 52816 11144 27812 1 20962 14382 17202 13201 2183 17941 15409 8143 23463 8085 11618 11722 455.2291@4.3552675 1 1 3807 1 1 1 1 1 1 1 1 1 1 1914 1 1 1 1 1 2511 1 1 1 1 1 2573 1 1 1 1 1 1 3460 1 1 1 1 Buspirone + 4.3572464 22417 40270 61339 27985 41301 39670 47614 28359 41176 43142 50910 45608 40442 38442 30917 47536 19612 35394 31843 26811 30304 44382 29411 35434 29601 41261 31414 26381 36626 40459 35875 31560 27117 25348 42577 37688 27120 102.0538@4.3596206 8912 11741 7303 1 1 1 14154 11005 8699 9266 7234 1 11654 10982 8810 1 7982 1 16045 1 1 1 1 11084 12633 1 19934 8211 1 15269 8830 13611 13433 1 10567 1 12731 C17 H37 N O2 + 4.3667655 39043 65984 62884 49004 81512 70459 60042 30146 1 1 74546 82408 56326 57068 42884 42875 39984 48855 1 30243 54413 1 35020 59087 34821 33122 41883 33288 31218 54774 54433 29913 42627 37895 22198 26604 19056 185.214@4.3682036 1 11485 17953 1 15668 1 13016 1 1 1 1 1 1 1 1 1 1 12732 1 1 1 1 1 1 1 19438 1 1 1 10716 1 1 1 1 1 1 1 306.0583@4.373709 1 1 10167 3423 1 5341 1 1 6962 5318 9667 1 1 1 1 1 5543 1 1 7711 1 1 1 1 1 4384 1 1 1 1 1 1 1 1 1 1 1 Creatinine 8344908 1.44E+07 2.22E+07 1.21E+07 1.43E+07 1.87E+07 1.21E+07 7393504 1.95E+07 1.94E+07 2.49E+07 7847474 8418855 1.51E+07 1.19E+07 9636743 1.73E+07 1.14E+07 9170122 2.54E+07 6343194 1.84E+07 9130175 1.30E+07 9065420 1.62E+07 1.25E+07 1.47E+07 9609261 3808112 1.28E+07 1.12E+07 6474779 1.74E+07 8090645 8450134 1.05E+07 C3 H7 N3 21048 32161 42769 26392 30631 33534 22522 20835 32912 34246 44296 17896 21135 32422 1 22119 34481 1 19256 44937 19079 35356 1 29609 1 32282 24826 28483 19784 11384 26944 24818 1 33287 21282 16584 1 C6 H13 N5 O 302862 885907 527970 287518 357150 467836 338213 193635 472489 433577 585214 212601 237457 317172 261444 236854 367201 251396 257461 595516 156068 494489 200139 284894 184160 325438 254007 285047 199805 85309 269682 251431 171154 342114 177081 181672 201997 151.0145@4.379756 1 26544 6900 1 1 7630 1 3005 1 1 7860 1 1 1 1 1 5192 1 1 1 1 7027 1 1 1 1 4891 4905 1 1 1 5311 1 1 1 1 1 58.0529@4.3802834 344735 1019171 613424 328906 412730 548011 395469 240370 559670 510314 684502 260326 281543 361759 318053 281735 429375 278467 317133 730120 198659 555820 241274 374549 246674 359602 287709 347414 260580 1 347328 329671 1 412437 215870 211919 272283 369.2512@4.3816123 1 1 8657 1 11786 10266 14690 1 1 1 8743 7879 12830 10570 1 1 1 1 1 1 1 1 9749 8199 1 1 1 5902 7709 7404 1 1 1 1 7212 1 1 311.2097@4.422255 1 1 5489 1 1 7850 1 1 1 1 6323 8306 1 13988 1 10479 1 4292 1 1 1 1 1 1 1 9642 1 1 7233 4861 11585 1 1 1 7342 1 1 509.3716@4.38295 1 1 3578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2824 1 1 methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate 1 12341 14321 1 1 16642 11794 1 12047 11448 14619 17701 16968 1 1 13520 1 1 1 1 1 1 11832 13169 9003 11403 11650 11951 9646 13014 11082 12541 1 1 16011 10325 1 C11 H15 Cl N3 S2 21173 150276 88743 44276 42331 81303 47389 25940 119645 88078 119172 32738 37019 64994 51877 35066 73188 45011 36264 187053 22817 106830 35893 58429 34960 78381 61322 86258 46686 7755 57437 58787 26629 86447 33992 40837 52716 C12 H26 N4 O 12001 19034 28322 1 14049 31045 11285 1 17851 16073 21215 6935 7549 9396 10757 7690 12154 11091 11366 19579 6890 22079 7987 10543 6867 12448 10723 12310 7425 3295 18249 11171 8023 13019 6486 6166 7991 354.3348@4.3768225 1619 5237 4527 1 1 1 2374 1 4341 1 1 1 1 1 1 1 1 1 1 4450 1 1 1 1 1 1 1 1 1 1 1 1 1 2575 1 1 1 C18 H38 N4 O 1 8210 8978 3761 1 9485 6300 3485 9100 9189 10061 1 1 5519 1 1 1 1 1 9197 1 7265 1 4430 1 1 1 4603 3934 1 4410 3583 1 1 1 4259 3565 Sphingosine + 4.3871903 1 27152 21555 10361 28998 1 11064 1 24779 1 1 45400 13731 7835 1 1 8556 8967 8284 1 17871 9013 1 1 7981 16335 11289 9535 11546 8760 1 7438 20395 1 6093 1 23821 C28 H20 N 1 1 15244 1 14337 10582 14474 9533 12642 7983 17749 16136 14315 8518 11526 8970 1 9137 1 24644 10082 27404 8786 16622 1 10714 10433 8997 12718 1 9764 11336 8726 12381 1 10124 11203 139.0741@4.3666797 1 27106 33190 1 28134 1 1 1 1 1 27973 1 1 1 1 1 1 1 1 1 1 20452 1 1 1 1 41919 1 1 1 1 1 1 1 1 1 1 C15 H33 N 27267 37321 40296 3107981 36029 44986 101940 39736 49755 33998 1 32593 31945 29576 34538 31310 55271 36701 55550 27030 23435 40419 35807 36589 39510 46820 41721 39627 32293 29236 58835 33690 28320 26480 30708 29144 31694 215.1881@4.3625693 1 6889 18096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13403 1 1 1 1 1 1 1 1 1 1 1 401.3852@4.399087 5664 1 17297 1 20608 1 11102 4604 8827 1 1 1 8650 6585 5683 8594 5953 1 1 1 1 1 5957 1 7242 8517 8994 6502 6184 12517 1 4359 1 1 4952 1 1 399.3704@4.3972583 8811 10403 53398 284874 13505 22793 11673 1 14228 15649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11797 9292 1 1 11573 1 11997 1 16990 1 1 9255 397.3549@4.4021354 1 1 23627 61424 4713 8154 1 1 18018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2644 1 6276 3877 6424 5125 1 1 3513 5852 1 1 1 Curacin A 13670 29864 35392 1 21839 16324 22179 17975 16093 20180 29121 13258 13405 16109 22491 6893 11850 19630 11601 25001 11253 15301 6626 12110 14952 21378 15223 10389 12348 16681 7910 9720 25367 9549 1 15965 17077 385.3546@4.413698 1 1 5785 45056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.1619@4.414424 1 8652 7392 1 1 1 12453 18361 9669 1 10082 12949 8094 1 1 6621 7791 12435 1 1 1 1 1 1 1 11160 1 13574 1 8930 1 1 1 1 1 8546 13984 413.3136@4.4189587 1 34452 39061 1 39636 47276 39904 26490 1 26655 32102 35578 19229 24024 33698 14841 18246 38606 1 37520 26567 18403 1 12821 33412 23481 15346 26033 22954 25807 1 25713 39610 34095 15382 26017 31916 C3 H5 N3 O 1 11237 20201 1 11855 12400 1 7208 13322 16228 21633 7538 1 9765 10437 1 8883 6761 3313 18262 1 16397 1 6200 1 14216 15653 12099 5015 1 12662 1 1 7786 4226 4590 5553 570.4218@4.4226027 1 1 329774 565670 211033 290618 1 1 617511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358116 181832 396559 1 244377 227054 1 1 1 1 1 1 1 570.9234@4.42414 1 1 181931 306538 134997 172225 1 1 351302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181442 107089 214458 1 136062 126860 113807 1 1 1 1 136042 1 1123.8156@4.4321036 10969 1 29552 39395 1 23714 1 1 46723 1 1 6580 1 1 1 15674 1 1 1 1 1 1 9542 1 26738 14124 25404 1 15577 16379 1 1 1 9724 1 15269 1 C22 H39 N S2 + 4.426161 14492 1 28561 16227 24966 30703 23287 23839 31570 21112 33361 23792 33307 17219 17102 21603 16400 26860 23615 18708 16982 25800 17109 21539 24100 22520 21370 32449 24925 24852 18182 27871 15555 18011 19360 18945 24720 Sphinganine 9648 1 32411 7371 29223 15355 1 1 39143 1 1 31437 1 1 9226 10395 7410 5441 10330 6091 10562 12016 1 1 1 25294 10195 9115 4223 3276 1 5752 9828 5796 1 1 11369 371.3393@4.438662 1 1 87243 622661 1 39926 15776 1 21590 18578 1 1 1 1 1 1 1 1 1 1 1 1 23438 1 15741 1 1 1 15306 1 1 1 1 25103 1 1 1 324.3132@4.438692 1 1 5222 12893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.2833@4.4496427 1 1 7636 1 7480 1 1 1 1 5644 1 1 1 1 3347 3693 1 1 1 1 1 1 1 1 1 1 1 1 1 3384 1 4459 5293 1 4770 1 1 201.173@4.4435096 1 1 19768 1 1 26753 1 1 1 1 1 17147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C16 H35 N7 S2 1 16485 17067 4535 16261 6091 14646 1 8642 1 11110 6818 1 1 13232 1 8876 9933 1 12595 6518 1 1 1 8089 1 11165 1 1 7943 1 1 13284 5303 1 10651 11422 Dicyclohexylamine 11992 25501 28438 25920 20224 21627 18498 1 27991 22734 27108 28839 32036 17574 18978 18200 12338 17430 23651 20986 10502 27937 21834 24096 13672 23950 22417 12722 20935 18693 19874 16031 16000 13138 23065 18487 16178 N,N-dimethylhistidine + 4.45251 1 25595 60780 18124 17077 30727 21565 1 42895 21265 36977 18418 22128 21279 1 14060 17326 1 1 36535 10474 23629 16805 24095 27261 21351 1 21622 1 1 1 12125 1 17135 1 16157 1 343.3442@4.4552236 1 1 7330 8125 8853 1 6423 6721 7959 7919 8152 1 8402 8400 5900 6746 6371 5375 1 1 5367 1 7788 6384 1 7106 6575 5628 6091 1 1 7213 6007 7229 6271 6216 1 429.3809@4.460664 1 1 279898 987040 28145 1 51671 1 21451 37804 1 1 81078 1 1 1 43407 1 1 1 1 1 36625 1 1 63817 1 24224 1 1 1 47195 69338 169477 1 1 25720 556.4062@4.4684496 103240 1 211306 501918 160171 248666 1 1 642822 1 1 149517 1 117130 1 145216 134497 75444 1 87133 1 138291 90083 1 311640 139866 262703 126253 193235 162128 232088 107679 1 107098 96650 153362 1 C17 H5 N2 O16 S2 58316 1 136921 286503 97452 127866 1 1 386184 1 63207 1 73073 64661 1 74755 1 1 49338 52951 39006 1 51677 59273 182476 78975 155393 59362 126897 100389 75226 1 1 52511 57888 96068 1 C12 H21 N5 O4 11546 27974 11460 9071 10628 11825 15786 5808 14145 13973 22697 15398 20143 13076 12245 9672 11723 10935 10029 28803 12705 23239 1 18014 7837 14382 12296 8843 8966 3383 7598 7930 8034 11396 6662 1 8102 5-Methyldeoxycytidine 26319 14858 27916 17835 32700 29149 31553 17214 30256 32144 56687 38738 43098 27152 27978 21717 25378 26527 18726 68059 30879 55107 22599 34199 16255 32656 25969 23098 15256 6664 23381 16936 18438 22527 13465 16363 20256 5-Methylcytosine 45928 23574 68307 33447 66659 86642 48524 31129 82628 63546 150291 66556 84038 56445 55415 44818 47192 48057 30260 133817 63185 100318 44652 65167 40811 61672 63648 50258 33770 1 60435 39304 30516 42595 23868 34848 38995 1095.7843@4.471565 11600 11643 19731 41406 16061 18890 1 7782 54193 1 11342 8589 10562 1 1 9805 6267 4052 1 1 1 8553 6168 8510 28055 12759 21750 1 16971 13402 11418 4713 1 7301 7425 13946 1 C10 H23 N 63205 69742 109687 69351 94767 91489 87077 63700 79512 90744 114609 112454 77473 67827 88463 94039 64221 67027 78636 85764 62182 79035 62710 70845 65142 96621 75607 72370 82167 95555 71582 95484 85729 68802 85317 74751 70852 427.3655@4.454891 1 1 53570 1709759 10944 1 1 1 1 1 1 1 81898 1 1 1 1 1 1 1 1 1 1 1 1 23941 9836 1 1 1 1 22241 13661 1 1 1 1 415.3654@4.4657607 1 1 17537 116485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4421 1 1 1 1 1 1 1 1 1 1 1 1 9138 1 1 1 343.3083@4.477681 1 1 5942 102399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 528.266@4.476845 1 1 3533 1 1 1 1 1 1 1 1 9959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Netilmicin 36918 1 74677 597954 222987 54230 113403 39247 122414 52304 97824 77051 134878 168750 82972 73601 113667 108853 48258 73438 59764 357025 693239 50958 76113 166217 133381 64542 38672 54362 81858 112006 44958 35483 56578 86362 73465 C26 H54 N5 O2 1 1 5792 1 1 1 2838 7167 1 1 6253 7824 3772 1 1 5667 1 6345 1 2979 2597 1 1 5939 1 7165 1 3830 1 6887 1 1 1 1 9322 6822 5225 C9 H21 N 1 46444 61214 54837 68302 58300 19929 1 73732 44042 84999 80390 71087 54468 1 53599 36956 56835 56212 1 32556 51313 64129 58101 1 51971 62860 37147 44852 51613 63489 54838 52779 1 69994 44435 38544 C20 H26 N4 O6 S 1 23319 28099 15294 17582 27953 22169 10601 29383 20277 24605 28016 17916 11210 1 11688 22438 9645 6937 17107 21523 13440 8223 19225 11215 5750 5168 22844 14443 18620 25192 13258 20066 25280 14093 23481 21266 401.3501@4.501701 1 1 149832 1318686 26426 1 1 1 1 31514 1 1 70001 1 1 1 38636 1 1 1 1 1 30662 1 1 50744 1 20160 1 1 1 59327 48592 105333 1 1 20786 C19 H41 N O2 + 4.5004015 18710 18494 22974 21599 24130 20094 20926 22388 21770 20845 23326 21188 22028 17880 18852 17917 19995 19175 19201 19643 20128 22717 19615 21990 20011 21229 21522 20838 20492 20609 20674 21629 17846 18381 17682 23120 18799 276.082@4.5019255 1 1 10443 1 7816 9514 1 1 1 13826 28127 1 1 1 1 1 6490 5027 1 62886 1 1 1 1 1 1 7539 1 1 1 1 1 2298 1 1 1 1 463.2567@4.5042276 1 1 3008 1 2474 1 1 1 1 1 1 1 1 1 1 1 1 2084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C19 H37 N O2 S2 8667 13574 16703 5834 27095 8892 16543 10484 1 12221 16546 9750 8441 13256 16910 1 11984 17557 1 18062 11338 18385 8501 6467 11554 15834 13690 5847 1 11364 5597 7289 15331 1 1 14939 16847 409.282@4.520755 1 1 11990 1 8702 1 1 1 3550 7093 11511 7252 1 1 6020 4758 1 4529 4281 4425 1 1 1 1 2889 1 3761 2634 4407 1 1 1 5034 1 6254 6282 4103 1155.6901@4.516 1 1 1762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 767.4695@4.5308895 1 9950 3402 18227 65938 1 1 1 9236 1 10813 1 10853 12185 1 1 21272 25651 8413 5717 1 60031 35269 3957 17012 28758 28308 4601 1 3827 1 3794 1 1 1 7397 1 C17 H31 N O6 142653 249784 313178 97664 245647 200629 262632 182772 159094 195228 282173 166394 121960 197060 262016 93117 152712 206666 125314 272984 168805 175998 72999 109205 178362 206961 151230 116186 132976 177606 85483 131762 252378 134329 83926 189999 183587 C19 H29 N8 18042 26596 31097 20832 34071 25008 28389 18568 33285 26829 32041 33366 27793 20837 21357 23132 16465 17766 17128 19578 17543 29271 24270 28816 18184 21148 20639 18473 25007 21092 32242 22207 16791 14508 29667 19335 19741 187.157@4.5290203 1 1 10545 1 1 16237 8970 1 1 1 1 9134 6892 1 7541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 d-Dethiobiotin + 4.5324354 106125 14980 26333 1 560093 20785 268546 323985 1 1 260331 1 74810 135401 416421 185901 216838 221201 142086 78069 1 378347 129603 1 458303 424790 627640 1 46847 13406 25855 1 1 31020 12858 174507 121015 411.3344@4.5301666 1 1 5860 8747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.1292@4.534 1 1 19746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C10 H20 N2 O3 332877 1 24717 110172 375555 17857 303852 547306 8481 16336 221791 1 78996 152295 345991 201414 181341 185858 189047 103553 1 224256 102889 15444 419769 482573 733703 18431 58173 17349 22675 10731 1 27965 24819 200044 82922 373.3188@4.5463705 1 1 19959 277550 1 1 1 1 1 4825 1 1 7378 1 1 1 1 1 1 1 1 1 5437 1 1 8486 1 1 1 1 1 10328 9171 19711 1 1 1 Evodiamine 1 11179 12299 1 1 9289 1 1 31170 12640 16952 9842 7860 8851 1 3361 1 1 1 12966 17234 10610 3828 8167 1 1 1 9842 4669 1 7429 6804 8062 1 1 1 1 C15 H21 N5 O 1 10477 17098 1 11324 13147 13601 1 1 1 16453 14302 13062 9671 10504 11637 7341 7502 8912 1 9673 13502 1 1 12278 1 1 7839 8183 1 11610 9947 9730 1 8575 1 1 C17 H37 N O2 + 4.5565977 63708 60981 72049 73969 90204 66371 75566 80144 65685 65691 68814 65256 65286 66227 58858 64502 57486 60106 65349 56005 67168 73104 63616 67320 64371 65199 68789 61500 63406 62813 65460 65847 63184 58365 63941 77612 61460 329.2562@4.559837 1 1 7477 1 1 1 1 1 1 1 1 8600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.9368@4.572292 1 1 234900 349437 147081 227064 1 1 424293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320664 147274 251575 1 151518 149250 151959 1 1 1 114250 178689 1 1167.8405@4.5720625 10595 1 18502 36007 12528 1 1 1 44291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16451 1 27718 1 1 6313 12584 1 1 1 1 1 1 592.4351@4.571951 1 1 580071 675187 291943 363836 1 1 680034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420245 239738 444432 1 308573 296071 1 1 1 1 1 266995 1 214.1317@4.5810184 1 1 12340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12547 1 1 1 440.3949@4.5852995 1 1 2785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2204 1 1 1 1 1 1 1 C10 H23 N O 23293 38288 49306 49958 41242 32683 38540 38027 49445 29194 56749 54760 64683 28923 34878 49044 22948 33509 40312 27650 20542 58635 48524 43448 30802 58940 38995 30122 36540 49375 53341 34861 28366 22912 48881 26140 33912 C31 H43 O5 S2 111511 8127 2807 1 6202 6019 88534 1 2004 4132 18353 1 9039 1 1 1 1 1 85192 36072 58701 1 1 41523 1 1 1 1 55007 1 4456 1 1 1 1 1 3735 987.5456@4.626921 1 1 3466 1 1 1 1 1 3068 1 10947 1 1 4141 1 1 3903 1 1 1 1 1 4130 1 1 1 6618 1 1 1 6175 1 1 1 1 1 1 503.7648@4.6076655 1 1 70235 1 1 1 1 1 1 68263 1 1 63008 1 1 60634 1 59573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26209 1 1 1 1 Taurohyocholic acid + 4.596465 1356345 38248 34126 1 47746 13002 1687806 1 4376 37428 120953 1 78701 1 1 1 1 1 984355 6457334 632068 1 1 6249070 1 1 1 1 4021059 1 33224 1 1 1 1 1 25371 981.5522@4.6242104 20717 1 34173 1 35037 12992 1 33324 21557 37744 27267 1 1 1 114136 1 38400 26048 99587 1 4170 1 8522 1 1 118739 1 1 1 1 61768 33292 8180 1 8077 1 1 1465.3322@4.6232624 1 1 2729 1 1 1 1 1 1 1 1 1 1 5033 15435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3013 1 1 1 1 1 1 424.4385@4.601 1 1 15731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1463.3344@4.6358757 1 1 2616 1 1 2620 1 1 2084 13315 4493 1 1 4989 8005 1 2619 11915 16744 1 1 1 1 1 4153 3584 12227 1 1 1 3275 2700 1 1 4286 17785 1 C17 H7 O21 S 70016 1 146015 306613 106931 124879 1 1 344594 1 1 79612 75762 70085 1 83777 59136 1 54250 1 1 71744 76737 67262 186967 82016 159483 62110 146668 104625 72653 1 1 56131 59143 1 1 C18 H48 N19 O3 129254 1 283950 573129 1 264612 1 1 622473 1 129067 106281 134828 128968 1 124795 1 1 103038 1 1 1 133586 1 334705 216948 317432 142247 279086 184014 1 1 1 1 1 172912 91312 1139.8105@4.616837 7875 1 18835 30318 14863 18001 1 1 48854 1700 10665 5626 8625 8194 1 8147 6224 1 5451 8357 1 1 1 8703 20802 1 15037 1 14994 1 8097 1 1 6436 6858 8991 1 303.2512@4.6160254 1 1 3517 1 1 1 1 2367 1 1 1 2994 2906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) 1 7815 14915 1 11527 13454 1 1 18032 3686 6853 8499 7795 1 1 1 1 1 1 1 4234 1 5235 6277 1 1 1 8575 1 3933 1 11344 7391 9159 1 1 1 413.35@4.5486784 1 1 15718 59198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1-(8-[3]-ladderane-octanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol 1 12435 18547 1 12499 7792 1 1 21079 4702 1 13466 10401 6574 1 3375 3622 1 1 5781 6652 1 8042 8332 1 1 1 9727 1 5576 12213 13194 7600 9715 1 1 1 C8 H13 N6 O2 91682 1 88635 109713 151599 29395 186383 35110 13123 17839 170292 1 122160 93370 88917 90906 106554 152613 60296 63608 17479 196677 79556 1 39978 137166 54529 18214 48471 103291 29614 27302 1 38930 31966 80688 116138 Aniracetam 47889 1 38532 31815 95325 22050 86508 12561 8786 10244 110779 15044 78744 52581 37162 52108 66096 60677 49642 61333 10305 87983 30761 21612 24542 106500 34103 10884 27244 7626 15783 11853 1 21353 15246 34791 54578 501.767@4.6351614 109549 1 108233 1 174607 121321 1 158411 121688 1 130872 1 1 1 1 134245 1 1 1 1 1 197273 99887 111375 237037 146269 1 1 43493 17535 208963 1 1 60677 73514 1 115251 640.54@4.622671 1 1 4773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2660 1 1 1 1 1 1 1 1 1 1 1 1 1 499.7684@4.6359777 1 1 37982 277625 1 1 134212 21617 19934 18808 249075 1 1 172200 388265 42622 1 1 327120 213572 239248 1 208058 15495 32750 51393 280638 1 1 1 21708 144188 1 1 38451 1 8561 935.5874@4.6292295 1 1 8105 1 13077 43726 1 1 51167 1 119510 1 1 92297 1 1 47591 80745 1 28494 1 1 1 1 1 1 1 68171 1 1 44079 123823 1 1 1 1 1 C17 H29 N8 + 4.6266026 1 1 18525 7391 16885 19527 1 1 1 1 15516 1 1 1 22166 1 11884 1 1 17661 15101 12266 44867 1 12984 8420 1 8350 1 12467 1 8575 16509 1 1 1 13967 937.5863@4.6303105 1 1 7614 1 1 1 1 1 1 21873 1 1 1 1 1 4266 1 1 1 1 1 1 5711 1 1 1 1 1 1 1 1 1 1 1 1 4882 1 928.5052@4.6202083 1 1 12199 1 1 43941 1 1 1 3533 1 4230 1 3618 1 1 1 1 1 1 4215 1 1 1 1 1 1 1 1 1 4540 4901 1 6876 2312 1 1 C13 H Cl3 N4 S5 1 1 198556 1 32865 260997 1 1 283492 232022 651551 5886 1 560135 1 14967 290578 473684 5430 256922 176429 1 142904 1 1 12650 1 381711 1 1 371395 803211 1 1 10695 37234 5266 495.759@4.6323915 1 1 11297 1 4294 12298 1 1 13181 11789 50802 1 1 43506 4250 6062 1 17105 4458 11784 1 1 8152 1 1 5614 1 16067 1 1 33011 60969 1 1 1 1 1 C15 H33 N O2 5512 1 12044 6234 8440 6027 6368 7913 7597 7395 5766 5300 6781 7602 8908 6087 7956 6880 6949 7577 5897 8408 7894 5609 8289 6738 6881 6531 7822 7132 1 5769 5339 6588 1 7443 5846 939.5864@4.6329303 1 1 22284 1 1 1 1 1 1 1 1 1 1 1 2851 5598 1 1 1 1 18593 1 12801 1 1 5367 1 1 1 1 1 1 1 1 1 6638 1 1069.7913@4.623 1 1 12481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 425.2778@4.6306243 1 1 12516 1 1 1 1 1 1 1 13290 15252 1 1 1 1 1 1 1 1 1 1 1 6914 1 1 1 8956 1 1 1 8751 1 1 8600 1 1 C10 H Cl3 O9 S4 1 1 11621 1 6037 12560 1 1 14334 16892 1 1 1 1 1 6561 14495 19087 3764 12656 10174 5274 9336 1 1 6444 1 32190 1 1 1 1 1 1 8131 6980 1 C41 H68 O4 1 23776 66248 1 52083 40243 10837 1 46765 15548 22023 36408 29758 18959 1 16956 13697 6145 7797 24387 30290 17276 21378 40913 1 1 1 27579 21853 22022 28040 33299 24388 42725 13537 1 1 PI(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 1 1 160310 5448 1 1 1 1 127413 5319 46813 10043 60285 12424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4719 35741 1 24826 1 1 1 1 931.5233@4.6229277 1 1 43459 1 1 37220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 813.5317@4.697551 1 1 4119 1 8462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C9 H10 Cl3 N2 O4 S5 1 1 75044 1 45965 49983 1 1 82084 48599 1 15266 20289 1 15267 37110 27542 71346 14520 116202 51022 1 49335 1 6981 39119 7602 1 1 1 69538 1 8070 10137 28702 17827 12450 1410.3015@4.632931 1 1 13084 1 1 1 4198 1 10670 7851 1 10804 1 9807 1 1 1 1 1 1 7879 6192 12336 1 1 1 1 1 1 1 8829 1 1 1 1 1 1 472.8312@4.6350217 1 1 10437 1 1 9740 1 1 11093 1 111964 1 1 93125 1 1 8851 11466 1 1 9818 1 8107 1 1 5929 1 90550 1 1 13274 140269 1 1 1 5696 1 1065.6354@4.6315637 1 1 9304 1 8280 5736 1 1 15204 4376 8534 7608 6456 1 1 1 1 1 1 12657 6764 4971 1 1 1 1 1 1 1 1 2467 10378 1 1 1 1 1 PI(20:3(5Z,8Z,11Z)/18:1(11Z)) 23567 1 857189 189850 582747 679270 283632 33217 1015840 336796 434937 783015 711601 318448 54320 366275 264757 214418 90441 319320 636973 70730 343306 417037 78190 49478 20950 486327 320028 548601 450080 600114 556560 533072 376502 202255 200956 C41 H70 O4 19033 275609 547582 111311 398592 419852 178400 19701 627934 198958 223308 532592 467673 223209 28959 210623 213893 118434 67820 190215 380121 171959 286656 267705 47882 29768 17052 290569 216763 373256 251476 348038 352765 392843 220069 123182 118752 442.2977@4.637284 1 1 17898 1 1 16591 1 1 18566 1 1 19252 16145 1 1 1 9704 1 1 1 9594 1 11941 11894 1 1 1 1 7768 11973 12123 1 11255 13600 1 1 1 C37 H62 N6 O2 1 1 16265 1 1 13104 1 1 15448 1 8417 12252 9209 4164 1 1 1 1 1 6395 6890 1 1 9121 1 1 1 9488 1 1 10693 1 6515 10379 1 1 1 924.5117@4.635324 1 1 10560 1 1 5896 1 1 11058 1 1 9025 4754 1 1 1 1 1 1 1 5359 1 2212 3359 1 1 1 1 1 1 1 4381 1 3395 1 1 1 342.324@4.644935 1 1 3496 4777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5134 1 1 1 1 1 1 1 1 1 1 1 C36 H64 N6 O2 1 5720 12143 2648 1 7459 1 1 11338 1 1 8688 7204 1 1 1 1 1 1 3245 6083 1 1 6672 1 1 1 1 4215 1 4048 5583 1 10943 1 1 1 250.041@4.648856 10756 1 7639 4256 14108 1 1 1 1 1 1 1 10612 1 1 1 4165 1 1 1 1 10182 1 1 13056 14716 15096 1 1 1 1 1 1 1 1 1 1 872.5416@4.640345 1 1 26797 1 1 17665 1 1 6270 1 10862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1-Nitronaphthalene-5,6-oxide 1 8381 42182 8312 39126 96402 9340 1 89233 38297 147097 40910 30511 23455 13266 15872 39610 13247 6092 133868 13958 16416 6723 19614 1 61569 8989 72013 1 1 29335 16925 1 13453 5672 1 8986 305.1411@4.6619763 1 1 9010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13061 1 14413 1 1 1 985.5488@4.6375675 7638 1 10670 1 1 1 1 1 7912 1 1 8209 1 1 1 1 26256 1 1 1 1 1 1 5415 18449 1 1 1 1 1 11847 1 6873 1 1 38252 1 C11 H25 Cl N2 O3 1 1 23798 1 34500 1 1 1 1 1 1 23128 1 1 1 1 1 1 1 1 5698 19264 1 4086 1 1 1 1 1 8696 1 14773 11714 1 1 1 1 443.3607@4.659133 1 1 9100 31099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C39 H66 O4 1 49892 115564 16469 92920 89487 23629 1 127287 38663 56703 113294 77682 44248 5076 33786 32855 21228 14377 42006 70484 34617 44705 61561 8481 6460 1 73985 14998 56911 64377 88631 58612 68333 24441 17409 17339 PI(20:4(8Z,11Z,14Z,17Z)/16:0) 1 59590 186051 25261 139476 141383 23712 1 206645 61392 91707 161593 113866 48626 1 60140 54929 40612 24069 70366 132684 53649 80568 108820 8414 1 1 117642 72963 88600 116013 152385 93398 115229 44622 31510 28176 503.7648@4.6683497 2379 1 66890 1 1 1 1 1 1 1 1 1 1 1 1 105822 1 141362 1 1 1 1 1 1 1 189192 1 1 39897 1 1 1 63677 1 1 1 1 502.7701@4.662248 1 1 3682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10710 1 1 1 1 1 1 1 1 1 1 1 856.5076@4.72396 1 1 11032 1 1 1 1 1 1 1 1 1 1 17921 6215 12220 1 1 1 22986 1 1 1 1 1 1 1 1 1 12208 1 4935 1 1 1 1 1 269.0703@4.649795 4293 1 12151 1 5868 1 1 1 3101 1 1 1 5474 1 1 1 1 1 1 6314 1 2996 1 1 1 1 1 1 1 1 1 1 1 1 1 4794 21070 PI(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1 1 18567 1 14717 15622 1 1 18554 8350 10527 18548 13792 8720 1 7442 9196 1 1 8408 14209 6250 9156 11969 1 1 1 14068 10240 8908 13737 16254 12878 12456 4784 1 2780 C23 H48 N2 O 1 19731 37674 50176 23638 21179 1 1 61978 1 1 1 1 13946 26190 15457 1 1 44592 15432 1 15406 16216 1 29056 154576 21943 17155 59392 20815 1 1 1 1 10930 14534 15414 C16 H27 N O S + 4.6681876 11906 32250 43116 26319 28563 1 38658 27063 36477 42041 52539 24504 30905 29080 42377 46678 44697 49209 19277 44763 39749 44690 38442 38818 36099 42899 39336 31877 20910 44812 48822 32879 44392 38440 74781 1 1 596.4806@4.6685586 1 1 12050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7364 1 1 1 1 1 346.2608@4.6862397 1 1 2005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4768 2614 1 1 1 1 1 1 1 1 1 1 2293 1 1 811.5121@4.7286196 1 1 4573 1 32041 19703 1 1 28402 1 1 3473 13682 10971 1 3095 9938 1 1 11496 12362 1 1 13522 1 1 1 17952 1 1 1 13431 21793 1 1 1 1 904.5056@4.68221 1 1 9005 1 11860 6392 1 1 1 1 6253 6283 1 2937 1 1 1 1 1 6072 4058 1 1 20972 1 1 1 3625 1 8853 8697 9034 17717 1 1 1 1 C37 H66 N3 O3 9554 24624 55968 1 70297 40101 12763 1 49139 20766 39775 28588 1 23955 6413 1 19353 25338 1 32242 27038 17469 1 32533 1 1 1 22907 21739 16380 29832 1 21566 32858 16332 19627 1 314.293@4.7035832 1 1 3658 9758 4017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2444 1 1 7361 1 1 1 1594 1 1 1 1 1 1 1 1211.8682@4.7400875 1 1 16894 27234 1 1 1 1 31980 1 1 1 1 1 1 1 1 1 1 3068 1 1 1 1 14522 1 1 1 1 1994 1 1 3431 1 1 14785 1 C13 H33 N4 O S2 + 4.708239 1 16892 25095 21881 27284 18328 25377 23890 27092 28479 37875 24898 32701 19488 26320 30526 23394 31979 16063 30952 1 28151 27207 26648 21004 26831 29701 16045 17984 28807 32631 27798 27315 19485 51836 28073 18704 508.2808@4.704 1 1 6778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.448@4.7185655 225308 1 488685 878164 502563 600854 1 1 828274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560144 1 642057 1 386889 318906 1 1 1 1 1 1 1 336.2662@4.7034535 2941 1 6042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 aminocaproic acid 53325 127330 194641 96067 79373 263955 127355 1 61926 1 166150 134879 142566 112481 79392 100293 60194 107085 116400 135281 79954 274972 136500 77925 1 58891 65925 1 1 104386 58978 95773 108493 107220 66379 83579 49861 PI(18:1(9Z)/18:2(9Z,12Z)) 1 28845 86309 1 68254 52653 23541 1 65845 13784 45199 1 25869 58587 1 26233 1 1 8047 27076 1 28493 13021 1 1 1 1 16800 27756 1 15171 1 1 10251 18506 24992 1 340.3449@4.718578 1 1 7832 6480 1 1 1 1 7321 1 1 1 1 1 1 1 1 1 7329 1 1 1 1 1 3212 14918 1 1 3846 1 1 1 1 1 1 1 1 761.535@4.7138186 1 1 4856 1 1 1 1 1 1 1 1 2173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PI(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) 1 101065 61369 6788 94150 22265 1 1 62229 20483 1 21665 1 45479 1 41600 20037 11823 10424 48012 39617 39484 26917 52256 1 1 1 15603 14290 25449 36018 61669 14598 72858 30458 24695 9503 791.4842@4.726716 1 9405 8018 1 3479 8760 1 1 12089 7231 1 7945 1 1 1 1 1 1 1 1 5608 1 1 4534 1 1 1 1 1 1 6354 9452 9154 6873 5095 1 1 C34 H72 N3 O3 S 20489 50597 98857 28668 162507 101966 50258 10735 109937 45948 109291 34027 45933 44919 16489 35863 40300 66518 28518 81215 40793 37968 28186 42946 11489 11176 12778 52715 39596 40750 59512 54226 28974 45870 33904 39431 20970 863.5594@4.7235403 1 1 17524 1 26947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C38 H79 N6 S4 1 107470 198019 1 95125 152936 15727 1 180541 89998 53581 113947 62141 62759 1 23367 26989 7868 9982 37258 88289 29494 62339 91109 1 1 1 106534 39566 17475 113019 144779 107478 83465 80029 21700 7849 PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) 4259 60804 112885 1 66586 102591 10202 6152 109552 52941 28086 54483 37504 29130 1 15953 26436 14095 1 20100 41452 22930 42013 43337 1 1 1 67913 19136 3654 61273 90932 56751 58682 38601 14197 1 298.2979@4.739278 1 1 27719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9311 1 1 1 301.2258@4.7452726 1 1 12763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5909 1 1 1 1 1 1 1 1 275.1096@4.732712 1 10045 6585 1 1 8200 1 1 13624 11766 1 11404 11735 1 1 1 5709 1 1 1 1 1 1 1 1 1 1 1 1 1 5104 1 1 1 1 1 1 PE(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)) 1 134825 126259 1 96141 1 1 1 171696 115262 64480 1 47204 26796 1 1 20679 1 1 108151 63428 21138 67253 76099 1 1 1 86089 35269 28343 107615 141549 136261 275034 1 1 1 572.4793@4.742 1 1 1980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PI(16:0/20:5(5Z,8Z,11Z,14Z,17Z)) 1 6796 14102 1 13132 8020 1 1 14380 4947 10543 5280 1 1 1 1 4955 9761 1 1 1 1 1 1 1 1 1 8354 1 11501 7950 8680 5851 1 1 4570 1 600.9342@4.7502856 89602 1 193680 358410 125418 197293 1 1 374890 1 97067 133174 87461 1 1 1 1 1 1 1 1 133635 1 1 253810 1 224004 1 182146 104358 106353 1 1 1 1 1 1 1183.835@4.750723 6462 1 11964 23430 8600 9775 1 1 28976 1 4523 1 1 1 1 5960 1 1 1 1 1 1 1 1 14367 1 9080 4725 7395 6868 5745 1 1 1 1 6125 1 PI(18:1(11Z)/16:1(9Z)) 1 33895 65724 17665 107464 67900 25086 1 79392 32069 76503 27541 42262 12206 1 12017 30948 53401 9628 29996 31740 32421 32164 24308 1 5574 1 38137 29613 48879 48293 44478 27649 36758 1 15905 1 C22 H31 N O S 23996 42775 48571 28193 47459 41133 42579 24191 45437 39551 47804 57142 54485 32388 18266 50786 23869 30637 24852 32720 23295 34363 37365 41947 24707 30507 28075 36538 31222 32761 40986 39856 28110 25923 34848 30215 25494 C37 H67 Cl N2 1 33414 78939 21197 105854 68555 28877 1 87651 33047 71488 39341 40933 34223 13481 27465 33720 47168 20054 48013 32584 31900 26967 32545 10593 10269 1 38586 28490 54202 43132 44794 24756 33715 14425 18992 16681 ZK 168281 1 12871 9547 1 1 11449 1 1 3577 10430 14213 1 8896 1 1 1 1 3207 1 1 1 16301 1 1 1 12764 36128 6321 1 1 3765 4523 5909 1 7061 8611 2085 795.5099@4.7435217 1 1 8650 1 1 5897 4743 1 1 1 1 1 1 1 1 1 1 1 1 2605 1 1 6275 1 1 1 1 1 1 1 1 1 1 7329 1 1 1 C43 H69 N3 O6 1 39459 59956 1 31596 53179 1 1 49351 32164 24196 21621 18856 19337 1 1 1 1 1 1 27254 1 13595 36799 1 1 1 39869 15618 4986 30564 42724 28745 18684 30819 10867 1 751.5493@4.7633433 1 1 25851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21612 1 1 1 1 1 1 1 1 1 C23 H35 N3 O2 1 16181 101069 1 1 45579 1 1 64428 1 20602 54731 10371 3069 1 1 2162 1 1 9739 33798 1 19796 23438 1 1 1 26766 11189 1 26076 25232 22585 1 1 1 1 837.5481@4.758 1 1 6105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 877.6309@4.763811 1 1 4924 1 1 1 1 1 1 1 1 5725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C21 H43 N8 O7 1 57284 54443 380190 176408 37934 77434 1 94388 40269 65603 50844 94731 123537 62958 47689 80359 81357 38766 59266 34306 251772 393923 29577 55315 118609 100354 42873 30516 36766 57990 80530 30052 24814 38836 65648 56091 829.5097@4.762 1 1 4387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.0584@4.7667303 1 1 32756 1 1 1 1 1 39138 13489 25227 34705 32322 1 1 1 1 1 1 1 23620 1 1 16614 1 1 1 1 1 1 13818 1 1 14245 1 1 1 442.2981@4.767613 1 11958 12022 1 1 1 1 1 15836 1 1 1 1 1 1 1 1 1 1 7872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 849.5982@4.7679424 1 1 38404 1 10129 15626 1 1 28886 1 1 48721 1 1 1 1 1 1 1 1 1 1 1 6215 1 1 1 6973 1 1 6006 1 1 8232 1 1 1 C16 H34 N2 O2 17463 15251 42041 39903 36373 48401 1 16133 35514 7359 15929 23291 25454 21621 10398 22008 19400 5835 13669 7111 14314 19016 21140 17761 16409 28429 37720 24662 21515 36320 26917 14661 13485 14607 13248 21104 8964 PE(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) 1 121225 273224 11925 1 162259 38531 1 252432 1 88417 526936 109975 73943 1 39839 42383 9364 7297 1 85529 54451 122912 65466 16918 1 1 113096 54625 49512 117909 1 1 1 39302 26707 19461 312.3138@4.7630196 1 4393 30780 10883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3799 1 1 1 1 1 1 1 9674 1 1786 1 PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) 1 23420 37416 1 15199 31619 7778 1 36942 24277 19890 47556 21805 15567 1 8668 8208 1 1 10171 22633 12475 24461 22197 1 1 1 26968 18054 8801 28912 20682 25727 34582 11199 7641 4294 492.2858@4.770938 3057 1 7277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)) 9590 553186 927703 39194 325486 712870 140307 4133 1034516 344269 400508 1287914 344643 250458 18038 124583 156814 58330 41104 310721 355841 182862 361696 447543 53033 9537 1 512171 275617 104100 518987 364404 387191 594968 113629 114407 70008 824.5853@4.781838 1 11664 3779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 821.5681@4.776864 1 101917 42203 1 17277 36999 1 1 74361 6725 8413 87377 6101 1 1 1 1 1 1 11460 8292 1 7758 19783 1 1 1 20359 1 1 18012 13144 1 20175 1 1 1 510.2973@4.7795525 1 1 5710 1 5290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Tryptophan 213399 15607 61519 32020 98448 9406 1 1 11021 9876 32003 17625 41172 12236 48951 10778 27049 1 1 11489 50726 71418 1 1 30019 324912 454482 1 1 26820 15844 1 12882 9323 1 1 1 PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z)) 1 139726 111223 5574 107101 180260 35205 1 196807 90520 68925 94800 81892 79642 1 39058 64901 1 11102 76817 72457 49981 35483 92380 7461 1 1 107900 63977 1 116266 135378 101853 96296 84171 28831 1 616.4542@4.7221775 1 1 2784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1654 1 1 1 1 1 1 1 PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z)) 1 92825 152460 1 143582 128912 36198 1 182163 90294 74051 56194 75669 65421 1 39552 53467 12055 1 69796 49043 39443 45282 68729 6081 1 1 109086 34515 1912 82410 110066 83265 87627 90708 38803 10449 825.5979@4.7903085 1 32515 16094 1 1 10298 1 1 20474 1 1 27025 1 1 1 1 1 1 1 1 1 1 1 2157 1 1 1 4150 1 1 3701 1 1 3536 1 1 1 PE(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) 1 28446 47290 1 1 40677 1 1 1 26003 1 30570 1 1 1 1 1 1 1 1 24042 1 1 28262 1 1 1 42885 1 1 23508 1 1 40124 14201 1 1 C11 H7 N O2 S 96599 16908 86591 82736 604044 32976 48259 12986 36491 10245 156615 80912 103521 48619 62478 66539 62508 1 12383 17956 46188 130992 75413 16471 142547 119809 95714 14042 49753 18300 33211 36693 20368 50127 19295 38965 15761 C46 H65 N4 O4 1 26851 37033 1 18144 24961 1 1 36791 13157 16058 23502 6665 1 1 1 1 1 1 13549 11746 7945 9127 19634 1 1 1 21183 7879 1 17600 1 8309 19895 1 1 1 5-Methoxytryptophan 1 1 39653 1 1 16540 1 1 1 14975 32164 39165 1 13110 1 1 11604 1 1 5608 1 1 1 19210 1 1 1 12221 1 1 1 23798 1 13022 7614 1 1 244.0858@4.792 1 1 10358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6-Gingerol 1 1 8210 1 7860 7086 1 1 11428 4892 8768 9640 6015 3606 1 1 1 1 1 4674 1 6251 1 1 1 1 1 1 1 1 5079 1 1 1 1 1 1 PE(20:2(11Z,14Z)/18:2(9Z,12Z)) 1 253456 345386 22351 180865 217882 107070 8891 335314 111519 187849 435581 133865 102167 1 67531 80085 39389 27073 122490 140157 69998 124649 123467 23518 1 1 151449 116672 82841 143883 115820 136503 174930 120559 82249 40350 C39 H83 N2 S5 1 149962 186086 12909 114849 155488 45810 1 211883 84395 141922 170394 81762 70599 1 42767 52322 28242 18591 103493 80484 51466 69741 96530 11191 1 1 107438 85288 34371 106891 71263 87482 99383 37243 45912 23574 508.2802@4.801164 10911 1 29509 1 12538 1 8950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9806 1 1 1 1 1 751.5496@4.806259 1 1 42440 1 62200 1 1 1 1 1 1 1 1 7915 1 1 1 1 1 1 1 1 1 1 1 1 1 26738 1 1 1 1 1 22007 1 16661 1 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) 1 7421 14303 1 6524 10939 1 1 16745 7386 9165 12913 5488 1 1 1 1 1 1 7280 8430 1 4512 11859 1 1 1 1 5474 1 10217 1 7477 11354 1 1 1 472.2609@4.803 1 1 3753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.2668@4.80989 1 1 15690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7555 1 1 1 1906 1 1 1 1 1 1 1 1 1 1 811.5102@4.78124 1 17061 22512 6670 10478 15875 11321 1 13489 1 1 23028 1 9109 1 6618 7036 10817 3025 8174 11359 26460 18905 11663 6855 12295 10599 9908 1 7721 1 6147 10832 13557 10490 4258 1 C10 H23 N O + 4.8089213 1 8877 14120 9283 8660 1 1 1 9707 1 10366 10619 13090 8367 1 9270 1 7803 10637 7394 7330 9498 1 9617 1 1 11022 1 5923 8761 7597 6586 7400 6833 10544 1 1 C39 H77 N6 S3 1 16347 29120 1 24235 24116 1 1 22666 13740 1 7230 1 14033 1 5413 1 6281 1 8111 1 1 7232 12658 1 1 1 15286 8427 1 20752 17855 7612 12527 1 1 1 C19 H38 N2 O3 6943 25408 49662 46172 56770 43285 30859 33847 40337 42054 36384 58906 36389 37328 34647 36170 28014 28110 45423 35048 44295 28837 50282 37780 39198 46737 28762 29824 35345 47822 37642 35341 29811 24933 45550 36012 29850 805.5967@4.816791 1 1 17426 1 1 19629 1 1 1 15612 7046 11852 1 1 1 1 1 1 1 9962 1 1 9203 1 1 1 1 18060 1 1 1 1 11209 1 10496 1 1 C11 H23 N O3 1 10893 11733 8766 1 1 11126 7379 10720 8304 12605 11329 10257 5791 1 10580 7627 8882 5550 9050 7057 8530 1 9329 6878 9145 1 7723 9710 1 1 10872 1 1 7829 1 7585 Deoxyvasicinone 10368 1 18970 17148 17048 1 8468 1 13328 1 29569 10560 19719 9626 1 7786 8883 1 1 6754 8101 25093 8388 11399 1 9035 1 1 9118 1 6282 10365 11124 12769 1 1 1 C10 H8 Cl N O 1 56391 119528 9701 28668 41752 1 1 104212 39693 89300 98326 111135 27339 1 1 22293 1 1 22369 72912 66501 21123 27949 1 1 1 25335 20572 1 41439 46649 60867 33409 15039 1 1 C9 H21 N O3 161418 204973 257417 151825 189688 122071 115722 84428 438444 247120 533417 252339 691586 148845 293637 91775 119484 100056 103813 162038 154987 275034 92367 119934 103769 111729 113788 442724 56011 126010 121919 326390 39056 78551 56356 46055 49206 381.2526@4.7965508 1 3472 5428 1 1 1 1 1 1 1 3217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.2568@4.8128476 1 7753 21968 1 1 7107 1 1 11215 1 5982 6415 1 1 1 1 1 1 1 1 4960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319.2355@4.8284235 1 19028 3667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2645 1 1 1 1 1 1 1 1 1 1 3401 1 1 1 1 699.5214@4.839569 1 1 13248 1 1 1 1 1 14297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7172 6257 1 1 1 1 1 PE(20:3(8Z,11Z,14Z)/P-18:0) 1 1 35924 1 61009 51311 1 1 51812 34134 33468 1 1 20434 1 12564 21533 6382 1 25222 18715 13623 14670 1 1 1 1 28780 1 6202 25832 29901 21218 19744 46125 17996 1 284.2825@4.848847 2746 17741 44086 27978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22802 1 1 16696 1 1 1 1 1 1 1 26919 1 1 1 C29 H63 N19 O4 12143 96686 82403 4724 82067 88281 38025 8427 116626 70952 111253 71158 29108 45972 1 23595 38125 42604 23971 75237 32727 25669 35587 54840 8810 6028 1 55091 42151 23806 60540 28330 29584 56966 50364 69192 12887 C20 H13 O22 S 1 1 438843 563071 361280 403631 1 1 557142 320203 330028 272481 301859 317775 1 303200 1 1 307829 309046 1 1 283134 337717 392447 335472 430361 323539 360713 292897 346703 317591 1 310744 288170 330524 1 C22 H50 N23 1 750611 763054 1030778 581579 602631 1 595079 912703 1 1 597774 600821 1 1 590300 492912 1 543401 542577 536536 1 585036 1 693594 521809 713529 554211 618538 535426 540279 547017 1 516124 547070 655814 1 749.4602@4.8883696 1 1 2537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C28 H55 N23 1 1 9728 1 6769 7360 1 1 11725 4484 6645 7219 1 1 1 1 1 1 1 5039 1 1 1 5627 1 1 1 1 1 1 4929 1 1 9551 1 1 1 N2-Acetyl-L-ornithine 177910 1 32242 116058 850987 25639 333163 437941 1 23439 306457 1 113399 180250 511567 243117 230984 285620 165578 142453 1 542845 164889 1 501059 420907 640662 16635 56994 1 21357 1 1 41375 1 225606 161489 727.5553@4.854031 1 1 17112 1 22583 17711 1 1 18183 1 12285 1 1 1 1 1 1 1 1 1 4360 1 1 1 1 1 1 1 1 1 7441 1 1 1 4879 1 1 C18 H36 N2 O3 1 8829 21868 14759 15794 17377 11170 18341 15972 12724 16981 22864 14417 10053 11185 12650 11235 12133 13791 11984 13614 11378 14325 13845 11806 17730 8944 13685 12306 17828 16046 13585 10118 7961 18432 13292 9109 C13 H27 N4 O3 1 1 21668 74448 19061 15379 12635 1 19548 13761 22464 18924 15404 13319 15692 12870 13089 1 14170 15754 11830 17040 13664 14350 14717 19089 14293 12538 1 17631 15878 13172 11546 12885 12975 1 10242 C44 H75 O3 S2 1 122920 141431 15469 144003 125886 53853 1 173015 84686 130410 178590 45374 62869 19650 42823 49078 76340 28771 80957 43785 51875 62761 56204 19222 18329 8526 65323 40846 43083 92669 51222 42552 74428 28213 43390 31354 C22 H54 N16 O5 1 336717 430802 622803 378092 419627 289785 316840 645921 287848 327371 301617 1 279637 1 280809 227510 305768 260632 1 277017 298422 261588 281395 411159 260304 399060 288082 361076 259333 335404 284773 1 1 235299 282977 257035 C19 H11 O22 S 1 214844 224512 356520 206074 227285 151172 1 397947 163080 178813 177893 191032 1 1 163375 165867 158073 163229 1 148793 182819 172330 173895 247086 182480 228876 166198 217038 22137 177770 1 135010 157066 1 190517 158192 C38 H75 N6 O6 S 1 168421 168549 1 174808 165584 99786 33836 246231 108027 187211 172086 56031 95851 1 47949 74324 96104 51192 140699 52426 47312 87377 63468 22908 18736 7179 82247 44130 30383 104787 58328 42640 91473 94123 151190 33221 787.511@4.8707356 1 28919 13038 1 1 13560 1 1 19856 1 18014 1 1 1 1 1 1 7483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8355 1 1 1 C39 H77 N2 O5 S2 7607 15451 29952 1 1 1 1 1 28792 1 22100 1 1 1 1 1 1 1 5278 18384 1 9311 1 8770 1 1 1 12692 1 1 1 1 1 1 1 1 1 C17 H37 N S2 10213 1 27811 7806 22058 14040 21326 11790 11765 17406 22833 1 10783 25653 22848 11271 11483 16234 10314 21822 11719 15794 11081 1 12836 13722 11873 1 8197 10740 1 8633 16710 7674 1 13955 14422 C18 H35 N O S2 1 19803 48135 1 30082 24630 36061 19509 19027 27246 37424 21251 15830 17747 31182 1 20219 29178 16294 26216 20605 22146 9643 17652 24352 29727 1 15530 16864 22962 1 14688 32243 17226 10062 1 22153 C15 H27 N8 O 1 9006 11198 3100 12021 8072 11034 6946 7471 6729 17930 4833 1 1 9998 1 6191 8195 1 15082 4251 1 1 1 5389 1 1 1 1 7284 1 4797 9091 4383 1 1 5848 Harmalol + 4.906716 1 143834 299352 26285 46569 73717 29962 1 123875 52209 262508 134285 112307 57951 1 61314 106571 1 1 179682 8549 134119 28024 95824 121263 1 1 37070 61845 1 44114 18670 102652 47412 1 6897 11025 442.2395@4.913 1 1 6120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 674.4116@4.935326 32576 1 98851 1 32186 83142 1 88221 1 90879 1 84131 1 1 1 81888 1 75467 1 1 1 1 98481 1 88951 1 87845 1 1 15443 1 24493 1 1 1 89982 1 3-Methyl-quinolin-2-ol 1 1033186 1385547 126376 243571 526997 72110 1 1204998 531416 1292137 1090219 1478506 403188 1 200256 372907 1 1 538495 897487 1674062 251732 420765 19814 1 1 341559 318892 24577 468468 786605 782016 411274 288824 197824 31089 748.958@4.9282265 1 1 9463 1 1 1 1 1 1 1 11058 1 1 1 1 9246 7874 1 1 1 1 10162 1 1 9410 1 1 1 1 1 25990 1 1 1 1 8226 1 350.1738@4.9300766 1 1 14679 1 1 1 1 1 11615 3850 1 10983 17123 1 1 1 1 1 1 1 8783 15486 1 1 1 1 1 1 1 1 1 7501 1 1 1 1 1 203.0582@4.9301934 1 28805 37833 1 1 1 1 1 1 1 34715 1 48541 1 1 1 1 1 1 1 1 55980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0744@4.932763 1 1 35892 1 1 1 1 1 40247 1 48510 40306 57273 1 1 1 1 1 1 1 24502 61938 1 18910 1 1 1 1 1 1 1 27271 26681 1 1 1 1 264.0749@4.9342265 1 13846 16218 1 1 1 1 1 13070 1 15952 11979 18257 1 1 1 1 1 1 1 10386 25909 1 1 1 1 1 1 1 1 1 10605 9939 4139 1 2349 1 240.0511@4.9305053 1 1 10011 1 1 1 1 1 1 1 12683 12260 16834 1 1 1 1 1 1 1 10819 18289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.1212@4.941 1 1 31434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C15 H34 Cl N2 O4 14701 16020 14723 13862 15782 9782 15916 9536 21207 17415 17950 17179 17361 12987 10044 15370 1 9493 11687 10659 10482 15620 18329 12351 1 10711 10962 1 9296 11331 17840 14726 12414 6156 13118 10675 1 611.406@4.942857 1 1 16985 1 1 1 7025 1 1 1 11087 1 1 1 13688 24457 17194 1 19372 10100 1 1 1 1 1 1 11157 1 10763 6804 1 1 1 1 10753 1 1 C17 H34 N2 O3 1 7323 14914 12383 13924 10062 14049 10937 11605 10904 1 13945 12405 8355 6800 9801 9237 7799 11287 1 10638 6986 10450 9739 10761 12415 9219 6162 10425 13838 13757 1 7264 5330 10813 10339 6380 C31 H62 N8 O7 236994 782935 814462 990059 692508 696444 580403 567275 963299 1 630766 627244 641241 584325 530457 589682 551363 535125 527319 462385 1 575435 603271 595633 712466 587110 735634 580621 650971 260626 618023 597534 535499 538127 575473 653800 553141 C21 H11 N2 O23 98910 513609 469763 592414 412587 456091 363973 327753 514416 1 354004 365835 356773 326651 1 339361 322001 305480 314422 330727 316519 336082 354160 1 444235 363562 467973 350562 380601 288483 377313 313279 316737 251959 326236 360468 324516 C6 H14 N O9 1 1 108871 72196 233132 232447 121725 24814 62895 117542 234612 39721 76720 62247 48806 69165 45145 120165 45845 145043 98083 240409 77374 1 61849 88796 131542 82919 30222 17913 144878 72299 30209 60254 142619 34207 41279 345.2153@4.971185 1 1 28368 1 23788 18114 19202 12880 12166 13388 23188 16254 10862 18007 19149 1 11222 17313 8650 23747 14712 15240 1 1 11372 16719 12210 1 1 15874 1 11678 22156 10083 1 16049 15640 678.9873@4.979417 1 1 16771 23027 1 15415 1 1 20100 1 1 5227 6514 5191 1 1 8139 1 1 1 2527 7460 1 1 14166 1 1 1 14125 1 1 1 1 10796 1 10746 1 188.0951@4.982075 1 25643 46478 1 21176 17581 1 1 54656 19301 56259 37015 48785 15164 1 11192 14906 1 1 13074 36200 71705 14701 24042 1 1 1 10954 11664 1 32322 30280 28093 17963 1 1 1 240.1265@4.983554 1 16179 19976 1 1 1 1 1 13118 1 17908 15610 20012 1 1 1 1 1 1 11475 8881 12912 1 8618 1 1 1 9113 14888 1 1 8058 9172 1 1 1 1 300.2413@4.9860396 1 1 3685 3593 1 3496 1 5974 3781 1 3560 1 1 3108 1 2888 1 1 3132 1 3232 1 1 1 1 1 1 1 1 1 1 1 2291 1 3413 1 1 305.1838@4.9834924 6294 13689 14199 1 17032 7203 14917 8015 1 10742 12623 1 1 10517 15886 1 7014 1 1 15518 12615 9138 1 1 13743 1 1 1 1 1 1 1 14294 1 1 1 8778 C9 H21 N O3 + 5.001351 46192 56632 56731 39396 43465 27376 31680 20661 79073 54976 95012 45794 121992 34503 68927 24867 27519 26392 27070 46282 33152 63890 1 32962 28518 26818 25997 79262 15838 28909 26968 73469 14760 16919 15881 14760 17231 C31 H66 N O12 221868 297575 405489 667358 348529 388514 303163 260528 618693 276730 293264 309052 286648 302965 249916 311878 290587 306743 223064 263707 274499 318635 333613 268094 393101 326447 376455 300336 364997 316240 1 285465 271212 255373 309622 345088 297646 C20 H9 N2 O23 173482 264446 211213 384868 224832 245763 186509 186705 377856 175174 196403 201912 202437 179951 161573 184390 162743 187149 172783 162408 172436 190834 183713 187630 275628 199974 219238 181096 196859 159009 201902 169589 173010 170985 173857 211905 180137 C15 H33 N S2 15435 24402 27768 16099 27325 23765 32937 16566 16353 17676 31375 22495 16014 20155 28833 15470 20826 20691 17029 28515 20673 1 10713 14590 21290 17883 18171 13408 12664 19642 15599 17825 18629 16194 11898 18326 14759 664.9712@5.0009155 1 4330 7134 12588 5437 1 1 1 14110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9833 1 1 1 1 1 1 1 1 1 1 1 1 C10 H23 N O + 5.0181203 1 7983 10318 9351 8534 8727 8823 7137 9846 8226 1 12235 14308 5398 7946 10136 1 7536 10383 8937 1 11856 9177 10145 8180 10477 9699 1 1 10360 9316 1 5284 7382 10598 7181 7997 C23 H47 N8 O8 1 43838 40253 242125 138162 1 59680 1 64112 1 44399 35320 68145 97159 47225 1 60115 58254 1 40622 24822 186685 214391 1 38554 86637 70917 32055 1 1 40244 62036 1 1 1 50846 38313 770.9707@5.015635 7816 1 5453 1 1 4644 1 12104 1 5967 1 1 11163 1 1 1 1 1 7574 1 1 1 1 1 1 4800 5907 1 3421 3163 5204 1 1 1 1 1 1 667.9754@5.043169 1 1 3982 1 1 1 1 1 1 1 1 1 1 1 1 4307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.1322@5.0518208 25487 31178 131868 1 76088 1 99663 43531 50420 28446 1 69121 51846 1 25324 1 1 31037 1 51654 33579 110071 44447 50339 33627 48463 52121 33423 63185 1 1 57890 1 55223 1 35147 48022 Hypoglycin 1 45530 155016 1 95940 1 117026 53804 56442 1 57441 82360 63743 1 44682 1 31555 1 1 1 1 127129 1 1 1 1 55347 1 1 1 1 66295 39326 52526 58386 44074 1 N-dodecanoyl-L-Homoserine lactone 1 1 10044 1 6157 3521 3632 1 4328 5335 1 1 5538 4310 1 3608 1 3198 5219 4109 3762 4290 5343 3882 1 5220 4939 3149 3295 6558 6429 3940 3547 1 1 1 1 623.3822@5.054364 1 1 5016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3578 1 1 1 1 1 1 1 C22 H17 O23 S 333711 527296 500015 600193 442799 446201 388124 374533 599644 375397 384344 380077 401580 354995 323330 390153 362023 365572 361582 362406 354186 360090 407196 315709 453750 353542 462797 374918 407753 14202 405289 357812 286107 356445 380496 388846 340572 1343.9457@5.070957 1 1 3721 1 1 1 1 1 7745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C24 H54 N23 O 510192 818544 751486 995164 658243 707760 585224 560567 877037 562588 609269 578072 542623 542300 499093 585930 525292 521288 533493 541417 534996 557149 581917 563420 672790 564855 685629 559674 600920 562671 599079 550806 542068 553711 566788 608579 530849 321.2148@5.076749 1 1 8044 1 7900 5168 1 1 1 5711 7181 1 1 5817 1 1 1 6934 1 10890 1 6732 1 1 6304 1 1 1 1 6771 1 1 1 1 1 1 5134 C14 H29 N O5 84277 136834 154925 84421 172816 131143 167321 113261 100881 102859 170653 108514 96583 128970 172127 80492 111713 107435 88127 183647 121167 158607 60362 83639 119102 115957 102729 73716 82833 120682 63776 103303 119342 94920 61827 107015 96936 228.09@5.0904455 1 1 10699 18547 24676 5885 9742 1 1 1 17207 7815 48321 10515 1 1 18042 1 1 1 1 73377 9051 1 12256 13187 16017 4701 6275 1 1 1 1 1 1 1 1 622.3806@5.0934644 11763 1 59168 67788 70569 1 70374 18091 72269 66944 1 69760 1 35509 60263 1 1 58999 47719 1 4576 63791 1 9901 65360 54367 1 66166 1 1 62121 49101 59984 63098 55351 65617 57745 C21 H15 O23 S 148545 261523 251332 394365 216829 237775 183487 188379 356118 179935 185433 198003 188094 188353 165680 177422 186966 188678 158097 186888 175580 198907 192484 201932 258232 202828 237064 190001 217768 162579 197153 183174 169319 173569 176362 210456 165808 C23 H52 N23 O 290231 418340 386001 605618 343814 388441 279368 273637 530565 285898 298279 302013 296830 279265 260745 289821 288994 283679 287308 273863 261563 312435 305350 305105 380655 300434 393205 283173 373763 323302 310526 285318 267228 299352 282759 312425 276154 686.9838@5.093093 1 1 7135 12023 6702 4378 1802 1 12933 1 4233 1 1 1 1 1 1 1 1 1 1 3171 1 1 1 1 7789 1 1 1 1 1 1 1 7832 1 1 C29 H53 N17 O5 24728 79776 65307 59497 60073 1 51685 37668 47022 45477 50447 1 1 1 45917 52338 39546 41638 54495 51912 45805 57037 1 1 55788 49961 50932 1 48214 18070 50795 49609 49426 42371 50246 1 1 85.0891@5.156 1 1 15861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C32 H60 N15 O3 454330 741681 703193 907657 597094 643589 516248 519271 778125 502720 526034 526920 542426 499314 477051 516348 491777 459675 477635 474919 454554 532030 512309 523995 614910 529087 651886 494320 560069 262571 526477 487640 466946 483599 498081 547726 449450 814.4953@5.167065 1 6733 4262 1 1 1 6438 7064 1 1 1998 1 1 1 1 1 1 1 1 1 1 1 1 4589 1 1 1 1 1 1 1 1 1 1 4946 1 1 C23 H15 N2 O24 334672 502018 462269 623861 372956 415415 324648 337168 501883 337109 349187 354471 363457 332514 283265 342955 307345 312606 310880 305640 303095 322859 336046 325174 400096 343259 409995 318655 369132 314162 344972 314644 293071 307903 317467 351476 287550 133.1101@5.177 1 1 3075499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C31 H58 N15 O3 288921 302375 337604 513830 306247 314820 190818 250342 484702 238899 269854 271428 272813 259718 219930 258873 227060 238799 237604 249551 243455 259411 273313 261753 331704 273894 317121 240302 294745 243467 279619 246677 181892 253253 243132 279543 221861 C22 H13 N2 O24 83225 212061 222034 336927 200366 205238 160846 166444 292334 157988 175076 168861 178726 165510 154506 168838 153273 160806 152421 150606 156398 169198 173726 170426 237683 176778 207088 159327 197415 150362 169392 158869 154581 162513 147436 177069 143581 C11 H24 Cl N3 1 1 10969 1 10535 14200 13425 7578 1 1 12554 12043 13156 7735 10240 1 7970 1 9130 15027 9554 16252 1 1 10100 9351 1 1 6506 7905 8311 8863 1 7555 8338 6864 7922 814.495@5.196 1 1 1903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.1781@5.1770782 1 1 10868 1 1 1 1 5211 1 1 14528 12318 16436 1 1 6491 1 1 10165 1 1 1 1 1 1 1 1 1 1 6793 7140 1 3445 1 1 1 5431 C25 H51 N8 O9 1 38535 33378 153993 114765 1 47580 1 38189 1 40338 29457 51062 70531 32666 33024 42112 50281 23045 30771 1 135843 111063 1 33216 67119 51310 25379 1 1 39330 48683 1 1 1 37398 33012 740.9528@5.207037 1 1 15574 10054 1 1 1 1 16735 21047 1 20575 1 1 1 1 1 16396 18571 1 1 1 1 1 1 19661 1 1 1 5636 20174 1 1 1 17244 1 1 11-amino-undecanoic acid + 5.2308316 14734 34224 26306 17712 36431 23862 40521 23691 22390 28189 33487 22073 19273 26056 36875 14130 21805 28900 17069 43575 25400 29756 12872 18643 24674 19426 20606 11179 13133 24054 15185 15666 30501 19839 1 24542 22368 Compound III(S) 14232 47496 18185 1 1 1 34196 18059 34784 20502 30706 25282 29305 23393 29407 29367 1 19012 1 30684 1 1 24936 1 31683 25010 1 1 8229 1 1 10396 22862 1 1 1 27398 C26 H58 N23 O2 457787 608643 569091 777862 473677 505983 403096 416372 641489 410320 436715 428701 444665 398094 373461 416074 384895 363551 381880 386980 379249 419033 407087 403902 485607 427461 517666 392797 461958 287419 428232 407165 380689 383991 383604 457006 367434 C25 H17 N4 O20 S 278031 396877 383646 503922 322938 342951 259371 276344 421797 272675 282489 290946 301784 268677 255924 273567 249321 251171 256188 242226 235235 271936 262377 271573 323960 275979 354440 268496 285041 176178 282160 255665 249710 247145 243671 300376 248337 745.0262@5.253679 1 1 3995 15598 1 5563 1 1 13149 1 1 5796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5952 1 1 1 1 1 1 1 1 C25 H56 N23 O2 152056 292505 281405 427009 238142 257234 200538 204923 386921 190984 207386 205003 206628 206339 191742 201069 192477 197748 180557 189981 185734 195310 205233 198838 262207 212471 254989 198156 234689 211929 217193 194659 178915 193631 180884 226931 192125 C23 H19 O24 S 137065 199034 182613 292938 163465 171525 129637 129887 250091 117188 135511 137714 144012 136703 120221 132234 119783 134101 124090 130902 124580 136030 131105 134341 170333 138828 167196 128991 152182 126561 134402 114792 113275 131053 120350 137554 116815 877.5615@5.267594 1 25952 24889 1 1 22083 1 1 23495 10551 1 11586 1 1 1 1 1 1 1 9951 11303 1 7659 1 1 1 1 12941 1 1 16220 25174 13449 17674 1 1 1 666.9085@5.2892838 1 27344 19801 1 1 1 17225 1 1 1 1 16126 1 1 1 15439 1 1 19790 11838 1 17501 1 1 1 1 1 1 18495 1 1 1 1 5929 10043 1 1 273.1784@5.2903056 1 1 7300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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34662 35918 1 1 C34 H64 N15 O4 333860 409014 366627 559358 322690 352453 278444 273892 448091 280812 294077 284724 300238 276063 256974 285756 261129 248468 274567 262256 249387 299318 281056 286015 333908 286238 379203 276896 322287 320518 298200 273402 262442 264835 259380 317673 257858 C25 H19 N2 O25 216582 262892 255297 371937 225241 235406 180985 197316 286441 184456 191084 196521 196732 183204 177819 187739 183212 165200 178020 167163 174123 191894 186456 196101 232493 202046 238953 182573 209564 196734 196771 177798 175082 172875 178466 205702 173746 863.5663@5.32295 99866 1 246861 1 236452 5935 1 189348 8931 1 120375 16469 35753 30602 1 1 1 1 1 1 1 1 55758 1 1 1 1 1 1 6378 4922 1 1 52518 1 179073 1 C14 H12 N3 O17 13546 1 22318 43393 20775 22630 17641 17400 34594 19655 15434 18233 17716 21870 1 1 18279 16264 18348 16768 16506 17618 16410 1 27044 18791 24143 1 18626 1 19083 1 16037 1 17716 19720 14831 494.3508@5.345801 1 21804 17780 34672 1 17463 1 15462 26260 1 1 1 12547 11969 11246 14283 1 1 1 1 1 1 1 17650 21842 1 1 1 1 12900 11945 1 1 1 1 1 1 C24 H17 N2 O25 99148 126454 115003 197962 108314 112840 84854 84392 165714 84022 95024 88551 93964 89823 82041 85656 85350 86073 81498 83202 84795 84240 92140 90188 123921 91417 116708 83162 105985 101013 88240 82911 77526 81058 86164 95356 82721 C33 H62 N15 O4 155073 187223 180790 317044 161788 173180 131389 147573 271272 141841 153324 137351 154059 137169 129967 147399 139171 137083 132946 136737 131530 144672 145948 143036 199790 125541 185714 135511 166840 165358 145369 128039 125585 132291 127000 149324 126175 328.3085@5.349306 1 1 26638 1 7036 6374 1 1 20091 1 1 1 1 1 1 1 4053 1 3164 1 1 1 1 1 1 10010 10223 4995 4865 5176 1 1 1 10228 3605 1 1 C11 H11 N3 O S 1 6759 29522 1 5893 6363 6767 1 6950 3969 38667 8475 20946 7971 1 9886 12080 1 1 1 6894 22954 9040 4044 1 1 1 1 6886 1 15123 9310 6836 18680 12070 5304 3330 688.4194@5.353549 4913 25848 21480 1 1 18823 1 22487 18899 25942 1 17812 21199 13927 15598 1 1 19235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10745 L-Pipecolic acid 51188 62758 163314 1 67715 73362 70401 1 91213 78292 1 1 1 38074 68838 1 43845 87701 1 47157 1 181397 1 49829 31250 127967 90788 54751 37547 1 45267 109302 1 64857 47274 89003 72095 201.1723@5.359742 1 18359 15050 1 1 1 1 1 1 1 18257 1 16951 1 1 1 1 1 1 1 1 1 13401 1 1 1 1 12660 1 1 1 13135 1 1 1 1 1 893.591@5.350523 1 23399 27470 1 1 36533 1 1 26335 1 1 1 1 1 1 1 1 1 1 14231 1 1 7507 9253 1 1 1 17084 1 1 1 17609 1 14958 1 1 1 PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) 1 14077 830868 102624 1265062 1 501356 1 1 89920 130363 73810 529423 700933 1 868383 301007 1 1 254710 8582 615865 795931 12751 43736 33533 1 59723 1 130576 325059 25622 1 915653 277236 954572 1 895.6024@5.37576 1 1 67214 1 79853 1 52091 1 1 1 34992 1 28941 25085 1 33986 1 13929 1 19310 1 21581 1 1 12148 1 1 1 8830 1 18711 1 1 1 7017 147814 1 795.5412@5.3993897 50187 1 31518 6675 3255132 1 54790 804968 1 1 1 1 24508 162860 1 34943 28979 1254714 1 15495 1 1357764 26884 1 1 3322 1 1 14880 1 9525 1 1 26410 1 1 1 923.6296@5.3771763 1 1 19658 1 13254 1 24004 1 1 1 1 5321 5002 6171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11712 2368 19861 1 851.544@5.4117327 1 77265 90093 1 156109 421763 630381 409107 66077 28830 1 44350 189144 229910 266437 576587 1 441532 353513 27175 20611 144889 1 24971 347248 1 432395 36660 14614 1 49094 41689 31280 88492 45239 1 264062 115.0996@5.371853 1 1 42463 1 45800 1 1 1 1 31169 1 1 1 40605 1 1 36766 1 34792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 972.5038@5.372 1 1 6894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1031.5066@5.387387 1 6226 2080 1 2171 1 1 1 1 6258 1 1 5551 4605 1 1 1 1 1 1 6843 1 6001 5674 1 1 1 5680 1 1 6123 8409 1 2702 4570 1 1 928.5479@5.404803 1 1 15610 1 1 1 1 54632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5873 1 1 835.5365@5.416941 1009703 1 124101 274342 1 151706 116256 1252676 1 1 1 194145 1 1 570658 1 1 180039 747329 309552 1 1 1 1 1 694604 1123087 1 1 39032 86230 1 1 129854 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7705 1 1 1 1 10861 1 1 1 55341 1 1 1 879.5751@5.337677 1 8914 58741 1 218603 7295 1 1 11557 1 1 1 1 1 1 205450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5598 9364 1 1 1 1 1 975.5235@5.405465 1 1 7548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3477 1 1 1 1 1 1 1 959.5808@5.4262757 1 1 9433 1 1 1 21754 1 1 1 1 1 1 2912 1 1 1 12552 1 1 1 1 5703 1 1 1 1 1 1 3512 1 1 1 1 1 21056 1 853.559@5.39746 154063 1 451029 1 182934 1 1 1 282187 144290 1 1 1 122199 1 1 434068 1 1 86745 1 304398 170539 1 1 1 1 186754 1 1 211129 176291 154590 199923 141961 1 1 890.6335@5.3862967 1 1 107839 1 1 163970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 931.6235@5.390247 1 1 47199 1 22588 1 115293 1 1 1 11778 3822 1 19437 1 1 1 47704 1 7877 1 1 1 1 1 1 1 1 1 1 1 1 1 8812 16908 96888 1 917.5314@5.379 1 1 73403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 854.0602@5.3853827 1 8467 2941 1 1 5340 1 1 1 1 1 1 1 4102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 952.5506@5.38 1 1 5224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 839.5664@5.4207163 1 1 869924 1 1279679 1 1 30559 1 1 426529 1 1 214802 302148 1 1 1 1 182277 1 373180 1 1 1 1 1 1 105797 1 1 1 1 1 1 1 1 991.5629@5.387059 1 1 3429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1216 1 1 1 1 1 1 1 891.5267@5.399158 1 1 224481 1 174821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212536 1 1 1 1 1 1 1 1 1 1 1 1 1 159488 1 1306.8116@5.382 1 1 3542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.0375@5.3859787 1 11710 5961 1 1 9324 1 1 9567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4697 1 1 1 5914 1 1 5748 1 1 1 1 1 1 1295.3125@5.383 1 1 3939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.5254@5.4053097 1 14712 111875 1 1 163713 1 659674 72663 28053 1 1 80906 110196 429987 1 63378 236271 1 410274 8836 360999 383697 1 1 1 1 8678 55815 5030 1 9061 3294 1 398589 1 1048479 923.524@5.427785 1 1 114207 1 1 1 1 1 1 1 17713 1 62490 1 1 25957 33012 1 1 6963 1 78962 1 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294436 C19 H46 N14 O S 1 1 34236 88110 30114 41695 1 39699 44964 34505 1 31996 31058 34040 33641 35670 37251 30125 38232 31142 33687 35059 31508 35843 48961 41864 56515 30117 42482 17999 31034 31857 1 27314 1 1 32156 843.5189@5.414209 1 423417 369316 115126 325969 482013 1 1 424710 398908 313563 513006 658302 853540 1 312641 632426 1 1 663093 422503 761342 924559 346917 1 163914 1 406533 502183 1 279223 470673 425186 853936 693221 334229 1 1230.3232@5.405405 1 27842 23991 1 1 27366 1 1 128132 10531 1 31020 1 1 1 1 1 1 1 1 21922 1 1 15405 1 1 1 21501 1 1 19140 24265 25073 20474 1 1 1 847.5573@5.4142003 1 1 142512 1 1 1 1263537 930568 1 1 135333 1 1 1 112811 76026 45563 2272198 1 1 1 1 72321 1 1 61109 1 1 1 1 58635 1 47351 1 1 1 210641 1270.825@5.4282417 1 1 16410 1 1 1 22128 1 1 1 1 1 1 1 1 1 1 7327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16278 1 C16 H10 N10 O9 S 43723 56776 41672 122684 40716 51178 43023 1 62434 44231 44945 40712 46914 43058 46421 45366 45771 33210 39494 39723 44304 49080 1 1 65585 60720 72493 41745 57339 48200 40453 40975 37564 36301 44487 48188 48477 938.6711@5.408378 1 14356 17991 1 1 12726 1 1 1 10171 1 14153 12190 1 1 1 1 1 1 1 9646 1 10994 1 1 1 1 10289 1 1 11322 1 12253 12782 6869 1 1 818.0616@5.4779644 1 1 5542 1 1 31925 1 1 69695 61323 1 69394 50417 30368 1 26456 21786 1 1 27692 46521 25240 1 70905 1 1 1 64321 49480 1 64841 75967 94494 48408 76195 1 8023 857.5869@5.411891 1 156160 613188 1 258311 156921 1 1 506423 1 1 1 1 1 1 1 1 156821 1 1 1 174547 1 1 1 1 1 1 1 1 256862 1 154218 308008 1 1 1 863.6154@5.41994 1 2978910 3033945 1 1 1 1037585 87622 3437262 2109543 1292775 3162505 2877808 1830436 136217 1108701 1425418 384366 454034 1626869 2960313 1560565 2754444 2612204 260197 155707 1 2790586 1912000 663960 2581048 3442599 3011328 2888411 2287138 1 648453 1248.3278@5.420753 1 13987 17562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 769.0414@5.4056253 1 132098 118782 249523 100576 122632 99710 114630 139401 100827 100960 94427 100347 99303 100451 100336 98998 90155 106103 104444 90209 102617 96929 104817 153123 114846 154146 88861 114147 113887 102585 89939 90256 83576 99657 97620 79546 Sulfathalidine 1 145150 117153 1 41976 112918 1 1 129801 83610 1 123352 88818 40049 1 1 1 1 1 55652 109081 36513 96208 127270 1 1 1 115150 54045 1 105965 132792 126342 98303 83338 1 1 1279.3298@5.419117 1 1 30468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7733 1 1 4655 1264.3181@5.4135327 1 4594 22626 1 1 1 1 1 19625 1 1 1 18449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17288 11432 1 1 1 8106 899.5172@5.416102 5844 1 58478 1 1 1 1 1 1 1 1 82420 1 1 1 1 1 1 1 1 1 313546 1 1 1 1 1 1 1 1 8416 1 1 178197 136057 76078 1 1244.8387@5.4512954 1 1 39304 1 19433 1 1 1 46387 15886 1 45118 15077 1 1 1 1 14991 1 1 1 9541 31025 15575 1 1 1 37431 1 4203 24553 39885 38085 29302 22140 11754 15286 1264.8195@5.409453 1 12953 20151 1 1 17835 1 1 18631 1 1 17365 17465 1 1 1 1 1 1 1 11281 1 14656 1 1 1 1 16703 1 1 16929 15231 1 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15410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 727.523@5.485285 1 1 15890 1 1 13353 1 1 1 8635 1 1 1 1 1 1 1 1 1 1 1 1 6561 13319 1 1 1 1 10279 1 7667 1 1 1 4723 1 5440 Mulberrofuran C 1 24173 29050 1 4911 15725 1 1 1 15348 11139 14811 1 12750 1 1 1 13378 22197 12351 13719 5682 13610 16319 1 1 1 15040 9763 1 1 12727 14936 1 12152 1 1 1187.3259@5.4978313 1 1 15720 1 1 1 1 1 1 1 1 1 1 1 1 1 17714 22693 1 3181 1 1 1 1 1 1 5955 1 1 1 1 1 1 1 1 1 1 769.5543@5.499183 21984 546885 811895 537806 1 722309 1 1 522213 355853 505040 290142 1 1 1 1 1 162006 1 490066 1 299682 373016 1 17130 1 1 321133 1 1 1 1 1 388136 351227 1 83770 532.7111@5.4900227 24770 11136 31723 106904 21987 32607 35195 34862 43997 32395 29187 32724 34208 33051 39181 1 35948 25328 1 28454 31165 1 22882 1 61708 51434 62837 27919 1 1 31709 1 33546 24067 31237 1 32039 1217.8326@5.498464 1 1 5460 1 1 1 17091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13275 1 1 1 1 1 1 1 1 1 1 1 1 1 342.2878@5.5029883 1 1 15120 1 1 1 1 1 1 1 37289 25604 1 1 1 27724 1 1 1 1 27133 1 1 31398 1 23462 1 24377 1 33451 1 1 1 1 24463 1 1 809.5933@5.505445 1 1.85E+07 2.09E+07 1458848 1.10E+07 1.49E+07 1.26E+07 1 2.11E+07 9253552 9199145 1.49E+07 1.16E+07 9364729 731074 8148913 6125909 3868192 2786840 7587327 1.08E+07 5202309 9547838 9522973 1400578 745933 614537 1.05E+07 8234410 1307550 1.15E+07 9485142 1.29E+07 1.39E+07 1.65E+07 9073162 3366571 1183.8326@5.49799 1 1 19834 1 23382 1 9469 1 1 27651 84676 1 1 19940 1 13259 12141 23980 1 24649 1 1 1 1 1 1 1 47470 18376 1 60874 1 1 1 21874 13291 1 1196.8398@5.496414 1 67384 41101 1 12829 29747 1 1 86252 1 1 30816 1 49661 1 33297 28201 14372 1 43044 61974 1 1 1 1 1 1 30092 1 11647 1 1 70672 1 28943 39131 1 791.0541@5.4951053 31024 85561 129600 144553 52402 149383 84128 56555 177922 64131 1 57317 68420 1 62073 126554 1 83346 1 1 58125 103486 1 65299 101829 52025 1 60476 191699 1 179882 59311 57633 110691 63121 109757 71023 787.5368@5.4926643 3260693 80657 398905 651930 3271094 178533 1 410390 56070 148424 514313 206380 322355 392261 2635997 453930 658390 734763 630729 287161 62020 590932 353689 135548 1111945 3884406 5225609 155958 189294 1129815 271769 74445 70409 241667 172165 512772 478329 1588.6252@5.48999 1 21576 18036 1 1 1 1 1 25673 1 1 1 1 1 1 1 1 1 1 14312 1 1 1 1 1 1 1 5581 1 1 1 1 1 1 1 1 1 1170.3236@5.5039043 1 33679 13673 1 1 1 1 1 21240 21158 16616 19958 1 20185 1 1 11361 1 1 1 17013 9478 20454 20633 1 1 1 20532 1 1 22871 18489 18555 19879 13542 1 1 1575.1202@5.4947834 1 13682 36139 1 1 39126 21774 1 37639 16246 1 40110 1 43259 1 19050 1 1 1 1 1 1 1 1 1 1 1 8041 1 1 1 1 1 1 1 1 1 799.5724@5.508689 2043121 69305 541354 751693 2825687 207140 2080549 1077893 1 171826 1742626 339137 664934 1045931 1617298 1736823 1262613 1 2203039 626941 1 1 435697 201737 831072 2129226 2673495 155645 504695 960063 315050 117802 140013 301001 292865 1904445 659916 1197.3435@5.5046163 1 1 43183 1 1 52454 1 1 70469 1 39194 63419 49604 1 1 1 24839 1 1 1 1 1 22602 56259 1 1 1 30181 1 10715 53629 50578 1 30341 32788 1 1 1513.1053@5.502439 1 37450 45426 1 45948 33369 1 1 31214 11022 18571 20538 19431 22754 1 15953 1 12948 1 12467 1 15812 27470 11445 1 1 1 22353 1 1 19073 20976 1 37208 1 12638 1 1575.6187@5.5026746 1 13364 15242 1 1 18795 5964 1 36724 6821 16313 25718 18392 1 1 1 1 1 1 5770 1 1 6033 1 1 1 1 23042 1 1 24728 1 1 1 6925 1 1 842.6331@5.4938836 1 400877 309635 1 1 1 1 1 1 1 1 222547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 777.039@5.505567 1 1 37694 95143 1 46980 41713 37069 79673 36775 31303 50377 1 40732 38603 44454 31262 21495 40167 1 40522 49839 33915 56615 57706 38839 50976 21416 46393 23093 33002 47923 47098 1 46712 42628 13788 1567.149@5.524967 1 269895 178603 1 1 238670 1 1 1 113149 1 1 1 1 1 1 22691 103513 1 1 1 39038 1 1 1 1 1 1 1 1 106479 83989 1 171306 1 1 1 1198.852@5.5557523 1 1 19357 1 1 15345 38219 1 5440 14269 1 1 1 1 1 1 7696 1 1 20236 1 1 1 1 1 1 1 1 17151 1 1 1 15105 17351 31372 1 1 C28 H63 N19 O4 44192 367748 436596 60677 442645 343721 199535 55770 318836 215695 228561 316214 281695 227012 130712 179172 148815 189684 133318 247165 207519 208441 223177 349837 71924 132168 75974 267534 224992 68541 256442 255552 189362 325961 141833 192411 210363 1184.3379@5.517968 1 1 66269 1 1 40533 58553 1 1 92435 75232 93895 71758 1 1 60399 45448 12426 1 74713 1 31106 90208 1 1 1 1 72078 1 13027 1 73164 1 76652 95541 79404 6921 1184.8408@5.522893 1 165697 68806 1 1 89427 55807 1 88302 67355 1 79855 62269 60364 1 50123 45990 1 1 63325 62723 1 77869 60315 1 1 1 55690 34406 1 1 65941 69689 63151 79790 65004 14917 1563.6191@5.5250335 1 1 26331 1 1 36184 9111 1 1 16826 1 1 16132 20939 1 1 8503 1 1 1 1 3305 21753 15268 1 1 1 27772 10927 1 35480 1 1 23511 16485 1 1 772.5711@5.522201 1 1 701668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408278 1 1 1 1 1 1 1 1 1 1 1 1 1 801.588@5.5307174 1 1 242816 1 2900316 1 1 434922 57464 159679 1 1 1 1 1 1 1 1 1 1 1 463525 445647 1 751969 1 1 72485 1 1 185917 1 64037 232834 159371 1 273786 1550.1088@5.5216527 1 62236 49631 1 8107 66784 14031 1 56379 1 1 46443 23496 1 1 1 1 1 1 35423 16938 9456 46897 1 1 1 1 10406 1 1 10731 1 1 33225 20858 1 1 1550.6122@5.5274053 1 1 25653 1 1 1 8453 1 36258 1 22892 1 1 9843 1 1 10941 21385 1 20568 1 1 1 1 1 1 1 10313 16856 1 38176 1 1 1 12785 1 1 1171.3298@5.5221367 1 81635 101307 1 1 137185 56869 1 126765 103051 109392 109201 83480 78916 1 79847 72131 23524 1 100281 68154 38244 35273 83467 1 1 1 41815 34679 1 45715 84613 84628 92299 82271 25577 30788 507.3315@5.519 1 1 5979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171.8329@5.5266967 1 137292 81383 1 16521 109604 51424 1 107571 86595 90414 1 1 38757 1445 68631 41806 27627 16371 81657 1 30122 101593 69820 1 1 1 42327 75520 27682 119287 1 64017 73933 62806 34108 24065 C24 H41 N6 O5 S 1 540067 561763 13146 255783 374455 41651 1 528443 260780 170621 680370 261022 136100 1 75283 84138 20269 16219 191268 255879 183987 154624 272685 16195 11733 15734 298661 181350 50438 252384 442825 357908 228956 128861 57109 22477 C41 H81 N3 O2 S3 34274 1016398 811374 86179 871424 1 288330 53864 556639 499653 588820 524828 340106 421402 149306 322376 362333 442370 207034 553399 214815 365051 464599 326254 100106 134574 162761 338303 303555 220652 1 384523 251324 489995 156679 299392 243611 741.5663@5.526992 1 153471 134926 1 187212 589703 39195 1 178114 81012 115708 100296 72562 101750 1 57444 68491 74037 52528 106734 67224 53238 73602 119343 9202 15349 1 144387 94173 1 133365 102843 1 1 45390 55049 38482 794.0609@5.5296154 24398 1 52909 1 1 60981 1 1 71856 1 1 1 1 1 1 36056 1 1 1 1 1 1 1 1 1 1 1 1 52938 1 1 1 1 41898 1 1 24637 1537.606@5.533676 1 76916 19069 1 12741 30348 4874 1 26675 16243 16917 31623 15540 28088 1 1 1 26872 1 14050 6873 1 46879 7204 1 1 1 24326 12895 1 33923 11689 11538 20494 5633 12608 1 1158.3239@5.5336757 1 382966 90128 1 59656 133465 18507 1 118846 88551 94760 137933 94935 137910 4762 92407 73472 155093 19351 74214 1 41255 214088 65275 1 1 1 154417 103585 40480 190304 93231 81245 105934 51087 77998 15935 1282.8455@5.537017 1 49808 42962 1 17784 34772 1 1 47430 30246 8886 67004 28298 1 1 1 1 1 1 17740 1 6660 17870 1 1 1 1 12607 7922 1 23337 85323 44362 16599 1 1 1 1569.1626@5.535756 1 1 129570 1 1 1 1 1 1 1 62926 1 1 1 1 34941 1 1 1 1 1 1 1 1 1 1 1 59872 1 1 68136 1 1 1 1 63474 8111 1158.826@5.534784 1 330498 77284 1 55120 122648 43203 1 105464 77565 81334 120424 79187 101591 4547 77208 63999 152354 1 63697 53952 34679 234437 57884 3870 5117 1 122651 70397 36612 176093 77048 69893 87189 51883 79621 37377 780.0462@5.546106 1 304033 60483 13845 1 149059 70625 1 98166 131105 103172 114564 118693 115515 18366 148400 105279 1 116323 90910 106480 72449 235357 106314 1 58417 12157 128964 199802 92001 156557 117007 121606 106533 87928 1 81156 769.054@5.53525 1 167470 82183 1 100166 100112 42601 1 1 50220 75843 552571 65324 85342 1 1 285695 78905 72541 52330 241678 1 100243 268232 1 1 1 79953 45455 1 93758 1 42152 76718 36197 69520 26435 1541.1342@5.5315714 1 1 629917 1 1 493200 1 1 181149 135900 1 375191 1 1 1 126299 75772 37286 1 1 57839 86414 157500 82304 1 1 1 1 107000 37333 1 93369 76758 144522 1 213783 1 377.7732@5.5361104 1 1 16552 46651 217973 1 60107 1 1 1 62556 1 42930 47784 59165 76816 78166 80883 83058 28646 1 107546 58984 1 116210 107032 102713 4562 26289 1 13771 1 1 27367 1 47245 63700 1529.134@5.528217 1 12725 24003 1 50353 20343 15340 1 1 1 6014 1 1 1 1 1 1 22582 1 13438 1 1 1 1 1 1 1 1 1 16596 56189 1 1 1 1 6985 1 1285.8606@5.536 1 1 6932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1232.3248@5.5421176 1 88153 3812 1 1 17382 1 1 1 28568 14644 14473 22608 42605 1 16096 22443 33972 22508 11426 12336 12024 49491 7036 1 1 1 30245 1 10250 40906 16866 15979 12595 15853 20857 15894 PE(22:2(13Z,16Z)/15:0) 1.53E+07 1.47E+08 1.24E+08 2.21E+07 1.84E+08 1.32E+08 7.88E+07 1.91E+07 1.36E+08 7.99E+07 9.82E+07 1.14E+08 8.42E+07 1.07E+08 2.67E+07 8.58E+07 7.35E+07 8.53E+07 4.63E+07 8.64E+07 5.65E+07 6.59E+07 1.15E+08 6.34E+07 2.15E+07 2.65E+07 2.25E+07 8.18E+07 6.31E+07 5.02E+07 9.52E+07 7.43E+07 7.12E+07 9.34E+07 6.14E+07 8.21E+07 6.27E+07 1258.8438@5.525799 1 41901 30269 1 25449 21511 8666 1 28366 19066 13353 36513 15050 21124 1 14681 15293 1 1 14643 17591 2245 19565 17187 1 1 1 17579 21689 7177 8663 23395 20395 12181 19611 16934 24457 Fexofenadine 12737 364097 361841 20182 215733 196362 52706 7196 296035 148669 116696 286946 150060 84170 9296 47477 54268 26088 21548 144289 177670 126880 65356 174835 13132 21666 23949 149780 137104 26420 137251 184272 186640 89509 125085 61626 20387 1247.3442@5.467967 1 1 6794 1 17500 1 1 1 15439 11232 1 1 1 24830 1 1 1 1 1 11663 1 1 1 1 1 1 1 1 1 1 7304 1 15646 1 12566 1 1 926.5404@5.5482736 37861 1 24777 101329 9872 48767 59895 1 1 103210 50898 51027 81085 1 90671 70639 76175 1 1 54269 111668 67473 1 102447 79524 73006 68096 1 98750 1 1 94490 90143 64097 78925 67275 97342 1220.8322@5.560629 1 1 15306 1 1 31860 6354 1 26631 1 19593 1992 8167 45419 1 1 26963 1 1 14076 17285 9706 1 19741 1 1 1 32933 1 10422 35338 26691 1 1 1 1 1 1221.3333@5.560419 1 1 16111 1 1 26621 1 1 1 29460 1 1 19980 38342 1 1 27174 27724 1 12969 19547 8250 36294 1 1 1 1 27455 19152 1 27095 24000 1 1 1 21072 1 1235.3466@5.5494213 1 1 11693 1 1 1 1 1 1 20688 1 1 1 24405 1 21994 1 15894 1 6091 1 1 16021 1 1 1 1 1 1 1 22646 9591 9008 1 1 1 1 715.5507@5.5662007 1 46349 34582 1 86471 65889 1 1 61080 1 1 1 34265 1 1 1 1 1 1 1 37294 1 1 1 1 1 1 51601 39403 1 44103 35534 11997 24934 1 1 1 C28 H49 O2 S2 9291 29691 46689 5252 63243 18930 24774 7174 15912 10583 24030 44182 25391 17050 10954 15979 15486 28992 17820 13510 13821 25318 14807 14891 7356 12363 20161 12889 13551 5925 15853 19180 13391 13686 8551 13903 13681 815.6157@5.564036 559749 8010874 6740065 1 5412773 6474954 5799004 1585972 6908824 7293870 6722058 6525940 6733899 7328546 2827601 5895935 6083718 5896891 4223050 5861655 5246721 5612060 7439893 5898685 1994388 2579302 1 7102329 5785695 5052776 6786820 6795368 6083889 7108461 5068863 5575902 5095173 PE(20:1(11Z)/15:0) 1 940781 1729382 233174 1805908 850947 801964 429311 922786 554622 691505 759188 701285 700317 479067 625557 525477 860576 661481 669552 510025 620351 811393 885191 488506 636858 426215 775698 384958 301493 741488 685404 458988 953563 490770 806320 814349 C28 H33 N7 O2 1 56319 45132 1 33917 28178 1 1 42526 26373 20525 27254 7918 1 1 1 1 1 1 20776 14101 16999 1 19228 1 1 1 23324 14603 1344 19180 31621 14885 10437 1 1 1 LysoPE(0:0/18:1(11Z)) 27385 69612 68708 1 72772 34061 50606 15136 53182 29507 34846 27731 18610 40854 10850 14102 15827 30976 23571 36668 20502 26419 15667 31496 6424 12251 18169 23694 21336 28683 25541 28771 17572 16108 25264 28428 9762 930.5725@5.5713887 30097 1 48767 101904 1 44196 1 41522 42641 190765 61077 39243 47269 38550 90021 33663 42511 1 1 1 38486 1 22560 245898 64171 117392 67685 62419 48053 33792 52612 59304 58420 46503 64746 1 40474 107.0039@5.5737863 8397 1 21280 7260 16470 1 12498 1 10945 1 14502 1 11265 5535 5036 1 6856 1 1 27512 1 30933 1 8362 1 7707 1 1 1 6057 1 10919 9893 1 1 7076 7564 819.628@5.609554 1 1 89725 1 1 1 137288 1 1 1 1 1 1 1 11013 1 1 1 1 1 1 1 60096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 801.5952@5.573906 1 1 143159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35558 13809 1 1 1 1 1132.6049@5.57374 1 1 28305 1 27847 18975 26945 1 30655 13283 36117 26293 25210 12411 8726 7905 7872 1 1 44705 11955 27292 1 20819 1 11663 1 9039 6628 10291 1 21703 11592 18944 5821 4288 14506 Taurine 1013925 1097271 2192063 963114 1905657 946082 1416384 594816 1467599 764077 1711055 1197209 1185397 701937 812185 626573 784437 444533 327216 3181277 741469 3598591 355827 1063720 522629 1067455 751432 661500 503345 653641 495347 1086460 1057520 1508957 752066 678448 846143 947.6345@5.5724216 1 1 9859 1 1 1 1 1 6821 3140 12850 7260 14831 1 1 1 6424 1 1 1 7159 1 1 4989 1 1 1 1 2996 1 1 1 5427 1 1 1 1 C14 H30 N O8 S5 38269 67423 74353 62825 31747 13258 53458 23413 32889 15953 51137 25697 31781 1 35634 8037 14454 1 1 162188 21099 224625 1 43911 20218 66539 36934 9404 7304 18185 1 45174 41859 64858 15673 1 30909 1030.0757@5.573756 1 1 9271 2770 1 7461 8211 1 1 1 9096 1 7565 10170 3265 1 1 4675 1 1 6265 1 1 1 1 1 2668 1 9948 1 6833 9009 1 1 1 1 8603 1029.5725@5.5777907 8684 26466 83678 32035 57590 56438 67192 21355 72769 74602 75024 75483 70594 67973 36781 56705 48814 38401 27660 84627 64562 79397 39611 76635 39406 36855 27155 61042 51511 43979 50205 61372 77467 79152 42242 41070 53254 1404.6139@5.576851 1 1 11615 1 6141 1 9220 1 1 1 10310 1 5799 1 1 1 1 1 1 1 3738 2447 1 6474 1 1 1 1 1 1651 1 8317 1 10917 1 1 5664 1147.1143@5.5763874 1956 1 6662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18491 1 16475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1154.586@5.5741234 1 1 15100 1 1 1 1 1 1 1 1 1 1 1 1 1 6693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9507 14705 9580 1 1 175.0632@5.5745087 1 1 44482 32365 1 1 1 1 1 1 63979 1 69167 1 1 1 30498 1 1 1 65492 83584 1 41675 1 1 1 1 32031 1 1 52260 53229 24851 1 1 1 PE(24:1(15Z)/14:1(9Z)) 1 2442816 1663072 1 1635322 2165165 1 201524 2570586 777159 1 534577 478968 1 233279 1 1 1014922 1 1 870835 1 2133723 1 1 97257 1 1200152 1 1 812166 1282605 862001 1484562 340744 1 1 625.0734@5.581407 12464 24047 22501 24005 1 4169 17801 1 1 1 17044 1 10729 1 4323 1 1 1 1 63863 5642 99423 1 10823 4765 17140 9212 1 1 1 1 9194 12733 15508 4747 1 1 1257.6191@5.5767083 1 1 10949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11471 1 1 1 835.5394@5.5966477 1 8978 64797 1 1 1 1 1 42293 27684 1 1 1 1 1 1 1 1 1 1 1 1 1 55527 1 1 1 1 1 1 1 1 49240 1 1 1 1 Indole-3-acetaldoxime N-oxide + 5.5751677 13767 45462 53919 28204 1 27606 1 1 39556 36539 79600 42383 68904 26428 1 19079 40330 1 1 1 65879 62808 1 51224 1 1 1 1 1 1 31120 53254 50163 1 24758 1 1 C12 H23 O5 S4 49216 39378 39823 41580 50901 1 29916 1 23901 1 32416 14708 23142 1 30470 1 1 1 1 288613 1 66587 1 24907 1 38134 26356 1 1 1 1 24682 24362 35648 1 1 1 772.0699@5.5819077 56251 51293 48374 81432 1 1 43250 17599 32882 17837 46072 25605 46342 1 57932 9535 13571 1 1 1 18741 125639 7999 33170 13684 48455 48278 11606 1 1 1 29204 37404 44759 17721 9436 26860 1160.6346@5.5763097 1 1 8160 1 1 1 4670 1 3871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 904.5584@5.5794077 250974 464025 675963 524182 449548 626516 738639 261376 740935 662536 798605 778970 836511 560790 466155 459525 573377 300595 451575 579383 604250 354074 330796 796784 274935 544906 365518 536798 448066 563098 434970 814642 784162 839872 525395 437421 637690 146.9965@5.577626 74649 1 65701 1 1 56656 1 1 1 1 62454 1 55414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.2901@5.582 1 1 4686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058.6066@5.590686 1 1 9504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3620 1 1 1057.6025@5.5927076 1 33704 13672 1 23908 12703 19813 1 21262 1 19930 13792 1 1 1 1 8414 5025 1 30875 1 1 1 1 1 1 1 9981 1 6366 8596 10572 1 11591 1 1 7784 956.588@5.574065 1 1 65231 36724 1 39708 53893 25455 54021 48912 29935 51925 49391 1 1 1 50724 1 1 1 76606 21840 1 67021 1 1 20159 1 1 1 1 64055 74415 63508 89334 40531 37070 1043.5873@5.5872808 1 1 7560 1 1 1 1 1 1 5044 1 1 6575 1 1 1 1 1 1 1 1 2956 1 1 1 1 1 1 4534 1 5402 1 1 1 1 1 1 907.5738@5.564904 1 1 73279 1 64228 1 1 1 1 1 1 1 1 1 1 1 1 36631 53757 1 1 61325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 932.5893@5.5903926 42628 572231 166152 1 244370 176774 258616 63111 265425 1 275711 104259 157539 66702 1 53304 66325 88155 1 398333 122862 168989 32875 1 1 1 1 80367 60118 113409 62849 99299 99953 203992 206777 94994 58938 933.5927@5.5925508 1 1 138356 1 1 1 1 1 1 1 1 86217 1 52459 1 42984 47974 1 1 1 1 1 63976 1 1 1 23121 62815 45031 55672 52459 77136 79205 1 9518 89480 47556 C27 H46 Cl N3 1 37356 71152 1 32354 33257 23672 1 45199 30037 14671 69201 89654 14746 1 1 1 1 1 36133 148847 26800 1 174328 1 17003 15177 25345 90178 1 27782 37499 79084 42859 31467 1 1 C27 H51 N O4 23593 18808 30378 16151 31756 21742 31854 15424 24202 13231 15174 40654 37117 1 29234 17408 16969 17926 12479 17672 31627 30745 17464 30737 15015 25810 29355 15775 34809 8811 11845 27092 18048 26432 20906 18655 23643 948.584@5.5865912 1 19149 8891 1 12896 1 16736 1 5426 1 8235 5520 1 1 1 7419 1 4308 77073 1 1 83371 1 1 8673 1 1 1 1 1 1 1 1 1 1 1 9131 C25 H51 N4 O3 11641 11326 12793 1 18597 9424 20615 6668 9824 6915 9018 20031 17676 10904 1 11185 8899 14277 7748 7592 9447 12864 10384 9287 8737 11777 18310 6798 10319 1 1 9910 8259 8249 11064 11877 10624 C21 H45 N6 S3 43612 276351 242048 55576 247225 139090 74519 30078 220818 118269 143921 152157 77780 83737 19937 44921 52270 87659 40248 121302 68516 143675 103447 95644 16713 24137 39664 82665 73942 70527 90157 114218 69841 58779 98674 100974 26578 1571.1796@5.6125703 1 1 97874 1 87079 1 43268 1 45449 25409 1 1 1 38693 1 1 15628 1 1 19618 1 1 1 1 1 1 1 16825 1 1 16072 21204 1 23298 1 1 1 813.0678@5.5904827 1 48104 53376 128377 1 63923 15367 49195 74540 16281 23447 41334 53379 33090 43074 41340 44954 36459 50491 43074 1 37297 39773 46352 65328 55664 59762 33731 61564 1 64691 48100 13266 18841 33429 1 1 C37 H71 N13 O S 1 1 368210 89432 820777 1 1 85584 253817 1 135335 185069 81731 1 125532 111820 1 203790 1 1 1 1 1 190990 128118 123527 138734 154322 59618 62885 1 140534 1 1 11305 1 1 759.577@5.6334724 958535 1 4.29E+07 1 1 1 1.08E+07 1 1 1 1 1 1 1 8895569 1 1 1 1 1 1 1 1 1 9003617 1.14E+07 1 1 1 5325241 1.52E+07 2894098 1 1 1 1 1 1234.8444@5.5807633 1 29758 29780 1 48988 6294 1 1 12302 1 11588 1 6219 37969 1 1 5153 1 15537 9463 1 1 26246 1 1 1 1 36308 25776 1 35186 22907 12057 1 22350 37137 1 168.9783@5.6057706 27198 24011 12391 25482 1 1 16014 1 15780 22356 1 1 1 1 1 1 19227 1 20923 6458 23366 1 11717 1 22199 1 1 1 21437 24316 1 1 1 16497 1 14639 24644 553.3171@5.605 1 1 7694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 910.5661@5.5977535 7148 1 4205 20883 1 9294 1 1 11938 12939 17135 7722 15339 1 28079 1 9842 1 1 1 7676 10463 8983 6691 21719 13658 17707 1 8013 1 9256 1 10555 1 13066 1 1 547.3865@5.5958776 1 1 44608 81035 1 1 1 34161 46924 1 1 1 7510 1 28685 1 30833 1 1 17873 31675 1 1 34158 1 1 43071 1 30805 1 1 1 1 26485 1 29068 1 938.5935@5.6093483 1 1 2346 1 1 1 1 1 3365 1 8648 1 1 1 1 1 1 1 1 1 1 8812 1 1 1 1 3381 1 1 11452 1 1 1 1 1 1 1 1235.3486@5.591075 1 1 17903 1 25468 1 1 1 1 1 1 29041 1 1 1 1 6660 1 1 1 1 1 1 1 1 1 1 23032 15431 1 1 1 6649 1 1 1 1 C21 H44 N4 O3 1 142126 19768 120131 15093 24541 32456 53443 27546 34149 30667 26902 31908 28165 1 22677 35792 1 31357 37133 34671 55047 40895 40823 61207 41936 52889 32909 1 21807 31247 36012 42521 1 38821 23474 42055 1164.8531@5.602666 1 1 5785 1 1 1 1 1 11527 5115 12560 4894 1 1 1 1 6590 1 1 1 1 1 1 1 1 1 1 1 1 7192 5140 1 1 1 1 6631 1 1248.8586@5.659231 1 1 12480 1 10421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1537.1033@5.5803547 1 1 31458 25724 85586 100494 1 1 325280 99773 66200 1 177891 1 8960 1 1 1 1 23032 1 84946 1 1 1 23918 1 1 1 49936 1 261535 208698 66043 1 1 1 952.5566@5.574498 41283 1 7663 1 1 8967 1 1 1 13592 7259 1 1 18441 20253 45947 1 40433 1 18497 16477 18288 11830 1 62456 15781 1 1 113484 1 1 8630 10702 11189 13714 1 41619 C27 H49 N O4 12140 12333 17815 1 14832 14015 19091 1 18284 9333 8994 23106 22140 7112 7157 8272 6880 5647 4171 13154 27941 13322 5696 28648 2980 1 9646 9819 24029 1 9353 10951 13027 11192 16449 11078 9250 1053.5673@5.591162 1 1 4647 1 1 1 1 1 1 1 1 1 1 1 1 1 3880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11508 1 1 1 1 1 1164.3507@5.604777 1 1 9174 1 1 1 1 1 1 6780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7089 1 441.3816@5.62037 1 1 3890 1 1 1 1 1 1 1 1 5553 1 1 1 1 1 1 1 1 1 1 1 3350 1 1 3270 1 1 1 1 1 1 1 1 1 1 1178.3657@5.6133084 1 1 4154 1 1 1 1 1 5658 1 5886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 926.5401@5.6069255 104623 106386 86643 176813 107713 145211 110736 1 126275 212336 124919 139705 161390 235208 174488 145521 187813 165454 1 124519 170001 192591 237283 161649 1 146629 117085 207673 1 155905 208539 147910 154945 142705 134885 115386 158251 538.0429@5.623743 1508 1 16542 46230 1 16166 1 1 25485 11550 1 1 11721 1 1 1 10416 1 1 1 10613 1 1 1 1 11434 23286 1 1 12411 1 1 1 1 1 1 1 843.6463@5.619676 65301 2908905 3434474 272342 1 2811230 2959552 678593 3391998 1799816 2860031 2261514 1727311 2036352 449199 1791555 1565079 2199430 1259691 2426884 1351490 353566 1705120 1596279 388781 442435 451870 2174045 1643268 1 2278774 1775780 1680685 1901303 2550212 3140915 1160428 C25 H41 O7 12171 46493 59856 6545 81146 39886 31378 1 33770 26983 39286 48986 32769 26112 18443 22484 26303 34256 27829 19919 22140 41585 24151 26992 11792 18228 32525 21484 22798 7527 31119 29791 20737 23646 14033 24418 20160 954.5714@5.6151385 1 95830 59886 1 79654 71352 90059 1 87659 70609 87674 54295 56979 1 1 1 1 1 1 147018 59591 82039 1 68481 1 25925 13519 1 1 1 40392 11589 70431 60636 1 79123 1 Leucodelphinidin 3-O-(beta-D-glucopyranosyl-(1-4)-alpha-L-rhamnopyranoside) 1 6956 10891 1 15492 12992 1 1 16511 1 10919 9165 1 9538 1 1 1 1 1 7545 1 1 1 1 1 1 1 1 1 1 1 1 1 6191 1 1 1 1539.1195@5.550503 1 1 68172 1 431435 177840 15619 1 1 1 1 1 1 58146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31525 234391 1 1 1 1 1 1 1?,25-dihydroxy-24-oxo-23-azavitamin D2 / 1?,25-dihydroxy-24-oxo-23-azaergocalciferol 1 14701 33866 1 17922 15787 1 1 19230 6939 6375 30102 20943 1 1 1 1 1 1 14772 42302 15027 1 55954 1 1 1 12224 25543 1 12649 29036 18362 22657 1 1 1 1172.841@5.6221595 1 240278 26633 1 21168 138529 31409 4722 115682 66412 58346 84549 54441 101911 1 68198 47617 1 36789 23791 42844 17386 81389 41548 1 1 1 76630 1 1 99305 1 47320 52923 47123 59421 29253 799.0525@5.617661 17305 32554 37048 57350 36141 38433 22390 1 51926 19941 34075 1 25574 29085 21372 1 26477 21670 1 1 20801 1 22025 22579 32793 1 30619 1 26902 1 30929 16939 19386 1 19886 1 1 C33 H47 N2 O7 1 16325 32823 1 13547 9868 1 1 1 1 1 25656 1 1 1 1 1 1 1 1 14905 12175 1 12534 1 1 1 9294 16244 1 1 33589 16197 1 1 1 1 1172.339@5.6183486 1 155913 19627 6096 16083 37535 13838 1 30354 80416 57928 26434 17721 107129 1 80138 56524 93074 1 6319 44355 1 96977 14770 1 1 1 23529 56588 8534 79378 15752 15283 17043 57465 22592 9504 Gymnodimine 1 12315 39294 1 36388 9965 4883 1 6909 1 6684 13514 1 4124 1 1 1 1 1 1 1 8757 1 7645 1 1 1 7654 9729 1 8839 6247 1 1 1 1 1 LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1 515702 2056895 28829 1102099 436912 54120 1 319138 238445 198843 1333991 244318 118831 12527 79181 83333 24435 12470 153154 421869 431044 189640 407691 18809 32989 49226 370989 468320 65918 394728 1240468 592691 308418 216599 65333 31155 942.5212@5.609854 1 1 14807 14131 1 1 16326 1 9882 15924 7620 1 17134 13283 1 1 1 1 1 23075 14111 1 1 13750 1 14184 11035 15765 1 1 1 12083 11108 1 9419 1 1 1118.7058@5.63 1 1 3935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PE(24:1(15Z)/14:1(9Z)) + 5.6096344 1 153700 107560 1 134674 139042 50048 1 172586 1 88167 164781 1 1 9493 71020 1 1 26278 43675 37091 23608 216694 1 1 1 4426 1 187151 1 105751 55515 59403 69941 1 93605 20575 1305.823@5.602002 1 7782 37110 1 1 1 4956 1 1 9408 1 1 1 1 1 7324 1 1 8592 1 1 1 18818 1 1 1 1 1 12241 1 7287 1 1 1 1 4984 1 1332.8575@5.62822 1 1 53040 1 24967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9499 1 1 1 1 1 1 1 1 1460.4879@5.632 1 1 4096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 569.2497@5.631603 1 4412 5273 1 1 1 1 1 1 1 1 6265 1 1 1 1 1 1 1 1 1 1 1 2385 1 1 1 1 4136 1 1 7654 1 1 1 1 1 C19 H38 N2 O3 + 5.6137967 121711 546713 86056 503339 144223 137862 137464 217581 120894 122577 83437 165412 1 140918 1 111396 150921 150860 130739 120478 108640 169825 217143 98261 115679 41144 146138 151510 1 115633 119073 130794 1 1 50359 112043 129181 C29 H52 N2 O6 S3 1 19633 17522 1 19544 7500 1 1 22737 9156 1 20612 17447 6475 1 1 1 1 1 1 18321 1 1 13715 1 1 1 10983 1 1 1 9203 18575 4923 1 1 1 495.332@5.636115 1 5088 7048 1 13550 1 1 1 1 1 1 5517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1308.8578@5.5931044 1 1 102482 1 77382 1 1 1 1 12873 1 1 1 1 1 1 1 1 1 1 1 1 1 9851 1 1 1 1 1 1 7285 1 1 1 1 1 1 1280.8295@5.614704 1 1 127924 1 49680 43357 1 1 28006 1 1 1 1 1 1 1 1 1 1 1 18390 33105 1 16976 1 1 1 1 1 1 23838 28694 29731 1 6015 1 1 17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate 1 8373 9864 1 11535 8529 1 1 11713 1 1 10511 9715 3214 1 1 2759 1 1 4294 7401 5267 1 5391 1 1 1 3755 4133 1 3631 5931 10166 1 1 1 1 1272.857@5.6157455 1 1 7447 1 1 6733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6745 1 1 1434.9816@5.636219 1 1 11296 1 9669 1 1 1 1 1 1 8868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1326.8112@5.6306114 1 8174 27130 1 13763 1 1 1 1 1 1 15555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6406 1 6766 20181 1 3980 1 1 1 1159.8329@5.6279507 1 1 40792 1 42812 1 12639 1 1 1 1 56374 1 1 1 1 1 1 1 1 1 1 1 1 1 7352 1 1 1 11901 1 1 1 1 1 17359 18924 1056.1997@5.6362376 1 1 8203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2987 1 1 1 1 1 1026.57@5.638554 1 1 23362 1 1 1 1 1 1 1 1 8187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9756 1 1 1 1 1 C25 H47 N O4 786841 318775 778977 331207 638572 375141 825675 405505 456408 225772 254149 1277078 1524751 224606 814840 376695 263180 229998 212547 321421 1089257 1041935 280393 1093921 239136 556885 568319 281956 1062327 207176 269544 583674 580309 750911 351961 391198 635986 1186.3549@5.631162 1 106295 27158 1 23798 105459 53502 1 129010 40646 55716 75406 1 56115 1 42013 25145 1 1 32282 26359 1 41083 1 1 1 1 66120 34057 10764 56755 36218 35634 14451 47122 58418 10817 1446.9763@5.63653 1 1 16647 1 6536 1 1 1 1 1 1 7899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5918 1 1 1 1 1 1285.862@5.637646 1 1 60713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8437 1 1 1 1 1 1 1 1 17716 9395 1 1 1 1 1 C23 H47 N4 O3 191349 173804 262920 70152 279872 169903 319013 142782 162728 108595 129215 408455 369789 131211 223266 157030 136563 172495 130200 113989 225371 213898 146156 203309 120789 177208 244315 119179 241928 56395 112536 162656 177360 170263 145462 173575 168714 1421.968@5.6381073 1 1 6730 1 1 1 1 1 1 1 1 5177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1579.119@5.6050653 1 1 12077 1 1 1 6503 1 18372 1 1 1 1 1 1 1 1 1 1 19395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1042.1836@5.645 1 1 5563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1331.84@5.6136603 1 1 6362 1 3341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6448 1 1 C41 H75 N3 O2 S2 11836 73744 90644 1 1 76885 80431 29539 60257 45742 60313 43316 49688 38749 1 1 48076 42074 68112 60575 35036 41180 1 1 44041 41099 57573 61892 1 1 33747 32555 26876 1 32434 56764 1 993.5424@5.571306 1 1 4390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6453 1 1 1 1 1 1 1 1294.8314@5.5709243 1 1 7959 1 1 1 1 1 1 11788 1 1 4849 1 1 10233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9909 4276 1 1 1 1 5406 Fexofenadine + 5.6458764 50261 381613 1546940 27959 1129062 332225 136824 10137 218255 194155 170488 694404 221678 118005 38224 107240 99764 75333 65329 161181 393705 448435 113238 413700 22060 59900 128811 267434 485313 59087 257018 713617 429072 179811 305884 124990 55829 Belladonnine 1 10169 19950 1 12811 5047 1 1 1 4670 1 11573 3250 1 1 1 1 1 1 1 9361 8960 1 11485 1 1 1 6093 12827 1 4758 17241 10526 4179 7741 1 1 794.0615@5.6344132 9243 254667 113814 1 89025 149924 94772 36502 139607 150146 116841 124312 84896 204294 1 151408 1 101199 68903 126011 120467 84199 137278 131681 1 45028 1 168895 139375 42798 116168 146096 129417 91118 156390 96843 43154 781.053@5.6240582 3466 211094 61995 1 1 1 71609 1 1 1 1 84096 71807 1 44810 1 1 126493 59276 1 1 1 130237 1 24774 1 1 1 72282 1 1 51875 1 1 1 1 1 1173.3455@5.6265697 1 192341 105799 1 71468 109376 1 1 112518 1 1 109139 62176 28609 2453 1 1 1 38114 23063 1 18702 1 37490 1 1 1 58600 1 1 1 45354 39220 54666 1 57369 1 1258.845@5.638881 1 9296 85738 1 59422 1 1 1 1 1 1 54109 18891 18981 1 1 9940 1 1 1 24922 1 6347 23814 1 1 1 45429 22149 1 8380 35617 17740 1 1 1 1 748.5728@5.65 1 1 1904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 545.2493@5.6476884 1 1 8495 1 1 3230 1 1 1 1 1 5251 1 1 1 1 1 1 1 1 5447 2031 1 5023 1 1 1 1 6171 1 1 8244 5991 1 3718 1 1 1173.8481@5.6473465 1 1 79251 1 66985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9728 1 29457 1 1 1 49080 1 1423.4832@5.651 1 1 8192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 509.3476@5.6477847 1 3582 11026 1 26714 1 1 1 1 1 2639 5695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3124 1 1 1 1 1 PE(20:3(5Z,8Z,11Z)/20:2(11Z,14Z)) 25217 29375 169092 1 156493 359573 1 1 355369 213459 1 164301 1 257975 1 220179 205545 1 1 165658 1 1 150664 1 1 71121 1 265961 185900 90742 165877 93287 195705 125198 224042 209693 1 505.314@5.6543446 1 10440 17044 1 18181 5162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3745 5377 1 5364 8849 3959 1 1 1 1 783.07@5.650009 1 1 95183 1 1 1 1 1 1 8910 1 162172 1 1 1 1 21775 1 1 1 11165 1 1 1 1 1 1 1 1 1 1 1 1 1 10772 1 1 848.5415@5.5953016 1 1 32881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41870 1 1 1 1 1 1 1 1 1186.8564@5.6376653 1 106966 105532 1 68228 88250 53297 1 108788 1 54687 45813 17794 48263 1 35152 1 32234 1 30535 16786 1 22399 21420 1 1 1 48554 28166 1 51717 26493 30966 30122 1 57330 1 1288.8859@5.658 1 1 21332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1437.999@5.6556005 1 1 9082 1 1 1 1 1 1 1 1 4368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 491.3009@5.659 1 1 17083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1187.36@5.6824913 1 1 86479 1 1 1 1 1 1 1 1 1 23442 1 1 1 1 33800 1 1 1 1 1 5571 1 1 1 1 1 1 1 1 1 30089 1 1 1 C23 H55 N8 S3 1 9203 4761 1 1 1 4999 1 2470 1 5370 10425 7337 4239 3092 4222 1 3645 4228 1 1 8520 1 3770 1 3359 6129 1 2579 1 1 1 1 1 1 2258 3698 739.4585@5.6649942 1 30763 22242 42158 1 1 17310 1 1 1 1 21280 22517 28640 1 1 1 30245 1 1 1 50750 23477 1 19177 30316 1 19161 1 1 1 24214 1 1 1 1 1 1213.374@5.661 1 1 10964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1045.2087@5.661 1 1 8607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 LysoPE(0:0/18:0) 106890 429815 443924 86727 651043 205112 287818 84585 245500 114899 319637 470684 320538 204955 149617 197587 169835 248803 162584 188295 131655 263663 185321 154533 124887 157471 230490 143107 130135 77542 183197 157695 145509 183077 87635 182239 148319 842.5733@5.7326255 1 9670 24217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1238.8746@5.6606135 1 28290 22956 1 21773 9316 1 1 12918 1 8062 14414 11483 6416 1 9642 6933 20853 1 4167 1 6510 4672 3121 1 1 1 1 1 1 1 2077 1 1 1 16187 1 1200.3695@5.6790686 1 5394 46949 1 1 1 1 1 53880 1 33007 23102 1 5215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14694 1 3484 1 795.0687@5.6351714 1 1 147719 1 132904 88865 83347 1 105383 1 110019 1 72302 1 1 1 1 115428 55749 1 1 1 63221 19764 1 1 1 1 1 1 69020 19080 28166 79238 1 76462 1 1266.9056@5.6601014 1 6644 13478 1 22402 1 6125 1 5351 1 11294 19423 6389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C25 H45 N O4 178493 182998 334198 102844 254703 189129 215754 63905 256007 126575 121997 555447 701658 94512 169293 133907 107182 70116 55396 178172 525994 360414 107601 540611 65879 156387 162194 117035 551420 67238 113248 237816 253585 326715 126388 114666 166937 947.5012@5.718541 1 1 11586 1 1 1 1 1 1 1 1 1 1 1 1 3627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C24 H47 N O4 17958 14913 22928 7510 28574 15146 29107 12400 11634 8015 9620 32423 36516 8042 23800 13442 11977 12509 10969 8649 20905 24388 9955 20210 9494 16213 18606 8455 22886 6037 9736 16841 12424 17381 10419 13539 13679 799.6077@5.713952 2846 1 679577 28992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191384 1 1 1 1 1 LysoPE(0:0/18:1(11Z)) + 5.671535 79137 1 250337 24600 323398 125093 93581 54023 158653 79421 146249 126808 83052 78984 52526 58651 72908 101460 94409 117330 86157 115002 73067 1 41182 54738 102597 93653 96979 22930 103298 103962 69238 78127 82286 118377 50570 5?-Cholane-3?,7?,23,24-tetrol 10312 1 11185 1 8430 6070 11002 1 1 1 1 14264 17850 1 10281 1 1 1 1 1 13113 15178 1 17407 3793 7103 7812 2900 14136 1982 2541 8802 7500 11976 4040 5036 7362 1216.34@5.673 1 1 10718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 499.2695@5.6791496 1 1 115820 1 1 1 1 1 1 1 1 76463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105675 1 1 1 1 1 794.5665@5.6749 1 46782 308153 1 184604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98369 1 1 1 1 1 1 1 1 1 1 162465 1 1 1 749.4838@5.6873937 42000 1 2755 27381 22640 1 114699 116202 1 1 30918 1 1 1 79490 31586 1 151524 84941 1 1 1 11482 1 87914 1 184867 1 13387 74783 1 1 1 1 1 137127 43625 1265.894@5.68 1 1 4873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C18-OH Sulfatide 1 328499 529501 1 644115 464930 1 1 529769 280336 468923 415342 244763 1 1 159736 231762 238497 1 174312 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35307 C25 H43 N O4 2862 23204 38731 1 26456 1 1 1 33186 17013 1 61128 75185 10766 1 1 1 1 1 22181 70370 39601 14256 73359 1 1 1 1 68305 1 1 35883 1 1 16548 1 1 827.534@5.6851373 1 6755 62059 1 1 15502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C27 H37 N3 O6 1 1 127370 1 191019 50496 1 1 1 44434 54237 1 28847 1 1 1 1 1 1 40829 40781 88663 15774 42936 1 1 1 37007 1 1 47239 1 43746 30516 1 1 1 782.0611@5.809481 32864 1 46897 52440 64397 49130 1 14288 54857 1 1 42051 1 31150 42938 1 19470 31738 25111 14335 35974 4827 37154 41612 30910 49281 30567 37668 32510 16749 1 46259 35367 54194 20005 27125 38974 1271.3468@5.622765 1 1 4051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6512 1 1 798.5422@5.6435304 1 59252 66284 65213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59316 1 1 66694 1 1 1 64188 1 1 1 1 1 1 1 1 1 5-hexenal 87713 85188 277180 1 84426 120913 62213 43313 161890 135944 79287 1 1 45706 91162 1 51220 65552 1 65616 1 250634 45539 49561 1 205462 141079 117395 1 1 59646 124426 1 70362 53000 66361 80414 1436.9932@5.699 1 1 2292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C23 H45 N O4 586294 572867 1059673 343945 911624 484543 831997 354630 573066 297697 382886 1638336 1800049 297360 923055 470985 381410 419008 342617 317780 1091066 1042837 384365 1042284 383130 730174 756712 406790 1164426 230641 379274 680203 617298 804413 297246 425374 762074 1278.8188@5.6771846 1 1 23425 1 25317 1 1 1 1 10501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1306.8376@5.6857996 1 6076 12995 1 15783 1 1 1 1 1 1 1 1 1 1 1 1 2203 1 1 1 1 1 1 1 1 1 1 1 1 1 4570 1 1 1 1 1 1259.8494@5.6425667 1 1 5692 1 1 1 19461 1 29442 1 24545 1 1 1 1 1 1 1 1 13469 1 14116 1 1 1 1 1 1 1 1 1 1 1 15723 1 14405 1 C26 H35 N7 O2 145980 765079 1025712 30702 1181571 299249 194351 91888 227694 211374 321815 372648 143725 135885 56132 120839 145157 187261 121223 230062 165393 464754 102604 230906 47461 102798 202411 183339 328274 43994 221632 418834 173632 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1 1 29613 78282 1 1 60040 1 1 1 1 1 86095 1 1 1 1 34768 336.2663@5.6737914 1 4220 4403 1 7789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1044.7029@5.707 1 1 5885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 914.5686@5.7162223 1 1 30589 1 68833 1 1 1 1 1 24246 1 1 1 1 1 1 41800 1 1 1 1 1 1 1 1 1 1 1 1876 1 1 1 1 1 1 1 1232.8291@5.614029 1 1 50894 1 44483 26311 23233 1 37945 1 32377 25436 1 1 2411 20290 1 1 23368 1 1 1 1 24083 1 1 1 1 1 1 1 7934 6216 18695 1 1 1 1424.9934@5.688225 1 1 4366 1 4884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 562.7315@5.7004576 1 8870 14529 31457 1 1 1 1 1 1 1 1 1 1 1 1 1 3259 1 1 1 1 1 1 1 1 1 1 1 1 1 3297 1 1 1 1 1 562.3963@5.705241 1 25778 30463 63442 20467 30010 1 25530 40229 20064 1 1 1 1 18507 1 1 1 1 1 1 1 1 18966 34701 23803 37396 1 1 1 1 1 1 19512 21538 26843 19596 465.2844@5.711231 1 1 36094 1 37121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C23 H43 N O4 216113 103225 294793 98738 202164 103836 198419 98940 156321 64038 70571 366272 534472 63557 219895 92299 67840 56122 60935 102665 390968 363283 66213 454474 68151 159509 136062 92795 335538 53572 80424 257128 158558 249130 72468 94766 222490 1237.862@5.6580563 1 1 18613 1 42135 1 1 1 15357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4377 1 1 1 1 1 1 952.5583@5.6242895 1 1 9357 1 1 1 1 1 1 13544 6630 1 1 1 40629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 63911 1 1 1 1 1 515.2631@5.7328444 1 1 9092 1 11856 1 9596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C25 H14 N4 O12 1 29645 39901 82317 1 1 1 1 47622 1 17368 1 23526 24702 1 18025 1 1 1 17529 24740 1 1 24616 36801 25834 44454 24022 31983 17650 1 1 1 1 1 1 22019 955.505@5.81734 1 1 13606 1 1 1 1 1 1 1 1 1 1 1 11243 1 1 1 1 1 1 12654 17029 1 1 1 1 1 1 1 1 1 1 10228 1 1 1 772.5806@5.6621075 1 1 181281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329103 1 872.5581@5.718 1 1 19041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1260.856@5.678267 1 1 11558 1 15909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4853 1 1 1 1 1 1 1 1 1210.8477@5.6803894 1 1 11712 1 16747 1 1 1 1 1 1 1 22092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 865.5359@5.6787786 1 1 74468 1 1 57321 1 45406 79889 1 87257 1 1 1 24904 1 40116 1 1 1 1 1 1 1 1 1 1 25310 1 1 1 37274 1 1 40600 1 1 435.2746@5.7212057 1 4792 6253 1 9141 2085 1 1 3338 1 1 4263 3097 1 1 1 1 1 1 1 1 4924 1 2371 1 1 3566 1 1 1 1 1 1 2778 1 1 1 LysoPE(0:0/16:0) 118338 415222 605034 91802 773630 303882 313577 92278 336153 173962 330842 487843 335395 258127 189412 222185 227131 318231 235455 223686 187305 377283 218479 233610 143762 183204 291444 213098 193514 77641 254711 256804 198933 239505 95240 184559 206910 539.2647@5.718231 1 1 18630 1 12721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C39 H43 1 11800 9647 1 14404 7371 4367 1 7621 1 5474 10264 6464 7529 1 4170 4048 6577 4199 4289 1 8746 1 4524 1 3603 6048 4836 1 1 4174 6116 1 4050 1 2832 3239 C23 H31 N9 O4 4611 8639 13001 1 1 7419 1 1 8830 4815 8056 12048 8223 6638 6949 11346 7414 7939 7967 1 6027 11584 5573 6701 5850 6322 1 6491 6739 1 6569 12312 1 6926 2589 3788 4685 552.7184@5.719266 1 1 11815 35803 1 13951 1 1 26088 1 1 1 8073 11192 10515 1 1 7813 10916 8262 1 10631 11891 1 19239 1 17896 10673 1 9031 1 1 10328 1 9185 13134 1 907.5171@5.729 1 1 13552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.275@5.728152 1 1 33258 1 40126 1 3986 1 1 1 1 6658 1 1 1 1 1 1 1 1 1 26524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C23 H41 N O4 35782 31406 63441 18343 50776 32938 30569 8746 46470 21904 20327 95892 151782 1 30799 16944 15479 9901 6819 38051 112472 73856 13914 123968 9459 23356 29323 18699 113860 13049 15920 50029 44417 59334 26632 1 28855 393.2875@5.727985 1 23717 38934 1 1 1 1 1 12425 1 1 48623 69145 1 1 1 1 1 1 1 64422 23632 1 78542 1 1 1 1 38123 1 1 28063 28158 1 15579 1 1 C22 H43 N O4 15462 11678 19730 5304 20708 10968 14276 6598 9136 1 1 27490 30044 1 19128 8355 1 6577 7831 4599 20447 24002 1 21981 1 10820 14210 6455 23876 3427 6927 13477 7985 13915 1 1 11427 342.2878@5.6984196 1 1 26061 1 1 25776 31615 1 1 1 1 27093 1 1 1 1 1 1 1 1 1 1 1 1 1 178051 1 1 1 1 1 1 1 1 104152 1 1 C24 H33 N7 O2 4084 10333 27330 1 27524 6706 6804 1 6904 1 5326 7550 4660 5257 1 3649 4260 1 5878 5765 5009 13829 1 9273 1 4645 1 1 5404 1 14750 10390 3496 28832 1 5087 1 PE(O-18:0/0:0) 1 6432 7967 1 36610 4226 6146 2307 4476 1 5817 1 3850 3588 1 1 3647 4432 1 5330 1 1 1 1 3417 1 1 1 2184 1 1 5054 1 1 1 3974 1 87.0684@5.751166 1 1072292 925583 1 839518 1044595 1 1 1 1 1 940275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C22 H39 N O4 20869 16205 39611 8593 18251 12825 12599 1 22054 5146 9962 141103 41320 15891 42457 6288 4165 8253 8948 19727 85714 31417 13575 57686 1 14136 19171 6993 38819 4871 8556 22557 15164 4438 1 1 29672 717.566@5.703049 1 1 12189 1 73803 1 29741 1 1 1 1 1 11674 1 1 1 2739 1 1 1 1 1 1 1 1 1 1 1 1 6645 1 1 1 1 1 1 1 314.256@5.7510114 1 13518 7656 20857 1 1 10421 1 1 1 1 1 1 1 4243 1 1 1 1 1 1 1 22608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 clavirin II 1 12862 48607 1 66957 6344 5754 1 8282 1 1 25486 1 1 1 1 5485 1 1 6788 1 3928 1 18921 1 4017 6914 12591 23588 3693 1 4467 1 3224 2473 1 1 341.2563@5.7568197 1 5601 9976 1 9704 7117 8892 1 1 1 1 1 16274 1 6675 1 1 1 1 1 1 1 1 11138 1 1 8224 1 5707 1 1 1 5795 1 1 1 1 C27 H50 N5 O5 S3 1 1 23670 1 36179 17629 1 1 1 6772 8095 9819 24469 1 1 5411 1 1 3239 1 31953 34443 6724 9290 1 1 1 1 9947 1 14026 52561 35090 14094 18328 1 1 5-Oxoavermectin ''''1a'''' aglycone 1 8354 4383 7318 1 6622 1 1 1 1 5237 5763 1 3912 1 6851 1 1 6964 7750 1 5676 1 1 9166 4512 1 1 1 1 2602 4276 1 2654 1 4388 3436 663.412@5.761808 1 1 7574 1 1 1 37236 1 1 1 1 1 1 1 10545 16272 1 25653 1 1 1 11974 7382 1 1 1 1 1 1 1 11632 1 1 1 1 31502 26458 422.7695@5.855821 1 1 1924 1 1 1 1 1 1 1 1 1 4647 1 1 1 1 1 3342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C21 H39 N O4 187776 96186 271280 93769 190001 86310 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131.0944@5.8056297 1 64901 108251 1 1 54315 1 1 44592 1 1 1 1 1 1 1 1 1 1 1 1 81210 1 1 1 71579 44947 1 1 1 1 37269 1 1 1 1 1 137.0476@5.814651 1 22594 30892 1 36383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.8497@5.802 1 1 2438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.8748@5.806 1 1 4091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Indoleacrylic acid 168139 1215156 335401 233719 302779 386494 283565 143861 303662 364420 527368 410321 366390 229379 142435 289215 303842 1 1 385495 211396 151259 1 1 1 1 1 1 1 59700 1 1 1 1 1 1 1 623.8395@5.807 1 1 7095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 555.8526@5.807 1 1 7811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.2098@5.805378 1 9648 5493 7462 1 5452 8102 1 1 3517 1 7630 1 3380 1 1 7864 1 6379 7995 1 1 5736 1 4062 9072 5706 1 1 1 4519 4025 1 1 1 1 1 215.9154@5.81 1 1 41979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.8769@5.811 1 1 13390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.89@5.812 1 1 12869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.9131@5.812 1 1 12715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 962.574@5.814 1 1 2312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 798.8217@5.815 1 1 2736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.9029@5.816 1 1 5132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 975.5878@5.821106 1 1 6695 1 1 6859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1994 1 1 1 1 1 1 1 1 1 1 1 921.6126@5.816 1 1 5100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C26 H24 N O10 S 3550 25474 21076 11957 14180 29783 14842 1 25719 38424 68155 41927 38618 14376 5344 22142 24045 6797 10825 49667 15625 9075 7947 57643 11675 14887 7749 26490 10116 1 18257 9773 31138 1 15613 1 3900 908.1042@5.819866 1 1 4608 1 3092 7001 1 1 7427 4699 1 1 1 1 1 3276 2798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 628.3451@5.8304048 1 1 2743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5662 1 1 1 1 1 1 1 1 1 1 1 1 1 955.1066@5.8285484 1 4499 5291 1 3534 1 1 1 1 1 6551 6825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2814 1 7394 1 1 942.0969@5.831553 1 1 7110 1 1 1 4525 1 1 1 1 3217 1 3981 1 2948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2667 1 1 1 1 907.5991@5.8302107 1 1 11536 4310 1 10678 1 1 10909 8022 1 1 1 1 1 1 1 1 1 1 5981 1 1 9821 1 1 1 7569 1 1 7246 1 7433 1 6083 1 1 C6 H7 O5 1 9485 15886 1 18449 1 1 1 1 1 8962 1 1 5023 1 1 1 4348 1 1 1 10862 1 1 1 1 11057 1 1 1 5439 8263 1 1 1 1 1 627.8429@5.828968 1 1 4005 1 1 1 1 1 1 1 1 5965 1 1 1 1 1 1 1 1 1 1 1 5298 1 1 1 1 1 1 1 1 1 1 1 1 1 C15 N2 O10 S5 1 14204 16939 7181 9948 23404 10756 1 22249 24214 33002 24057 18146 12857 1 11518 14568 6321 6086 20331 11944 1 9328 24408 5980 1 4201 16794 9120 1 13799 11416 20806 5857 15230 6388 1 954.6036@5.8253508 1 1 7350 1 1 11105 1 1 14477 9508 8678 1 6403 1 1 1 1 1 5861 6245 4722 1 1 1 1 1 1 6260 1 1 1 1 1 1 1 1 1 C10 H10 N3 O9 16241 36047 45454 25417 43407 48961 41412 15996 42190 52166 96929 66509 58289 30523 19480 38377 42183 22702 27739 81762 30144 35918 22747 62463 27199 33314 23518 36918 19594 6533 32103 22282 44730 16274 25092 16374 14121 C10 H8 N4 O4 92725 195254 237650 134105 200722 284562 196955 91207 247266 294683 521004 362919 331005 162306 94429 189061 209200 113874 126535 443976 158440 190295 110493 381446 134030 163565 114674 205101 109414 30377 180451 128400 243971 85551 151255 92949 78153 1033.6464@5.834314 15796 24324 54495 20671 44733 73172 44983 17229 72215 75304 93874 73925 60325 43399 11092 42790 47550 24930 27294 74387 39747 22770 27635 61478 15555 17438 12130 53389 27729 5272 45693 31803 56965 20650 52875 25849 12758 C23 H8 N2 O13 8459 18457 20450 11788 21057 24182 19959 8032 22167 25704 40360 31102 26809 13708 7746 17066 19206 11792 13775 35876 13222 15636 11289 26946 1 14607 11523 17830 12540 2953 15783 13143 18492 1 14425 9590 7813 C10 H12 N2 O14 54069 96601 132839 80557 116637 160719 118041 51542 141906 154231 249760 184392 170919 91288 57900 112361 113158 69400 76108 213124 84703 98481 66822 174255 75229 92580 71073 110762 63848 19640 104115 78617 133385 56528 82526 53331 49606 920.6101@5.8287635 1 1 4112 1 1 9701 1 1 15558 10990 1 11350 1 7362 1 1 1 1 1 6038 1 1 1 7912 1 1 1 9712 1 1 6478 1 6553 1 10256 1 1 C23 H6 N3 O8 11990 23528 25668 15927 25380 27723 23111 9840 27337 30941 51635 36523 32724 18539 11934 21717 23595 13495 13975 46667 18928 22314 12600 33947 16090 19527 12719 22282 11688 1 19934 15325 26459 10008 15756 10473 8405 663.7897@5.8360615 1 3069 4896 1 1 1 3622 1 7715 5515 8458 1 4867 1 1 1 1 2332 2199 1 3194 1 1 4973 1 1 1 4663 1 1 4777 1 4220 1 3998 1 1 1075.6187@5.8302174 1 1 4198 3009 1 1 1 1 5188 1 5289 1 6606 1 1 1 2737 1 1 1 1 1 1 6575 1 1 1733 3357 1 1 1 1 1 1 1 1 1 1101.6317@5.831313 1 1 9696 1952 7310 12892 9142 4381 12751 1 18956 14204 10916 1 1 5566 6229 1 1 1 1 1 1 10526 1 1 1 8414 3536 1 7602 4527 8215 1 10092 5047 1 398.0436@5.833098 1 1 2574 1 1 1 1 1 1 1 6656 3975 1 1 1 1 1 1 1 1 1 2640 1 1 1 1 1 2078 1 1 1 1 1 1 1 1 1 1007.6298@5.8353066 12480 9841 33455 14064 13540 17946 21502 8271 16603 1 1 50255 23971 1 15684 20666 1 7863 8905 1 19933 18853 10457 41313 19821 27626 16438 24279 14964 6372 12566 18436 27428 13505 7196 1 1 514.8062@5.831971 1 1 8366 8354 4531 9665 1 1 1 7607 9801 14962 10826 4647 1 1 5580 1 1 1 4950 1 1 13268 4182 1 3858 5788 1 1 1 1 7188 3663 1 1 1 921.1118@5.8219433 1 1 15044 1 1 17288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.3081@5.8251176 1 1 4903 1 1 4286 1 1 1 4092 1 7960 7801 1 1 1 1 1 1985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C24 H8 N4 O19 1 6301 6016 1 6044 9113 6341 1 6500 7625 14233 8621 7870 3824 1 1 5646 1 1 11167 3311 4785 1 9052 1 4067 1 6604 1 1 1 1 6566 1 1 1 1 C23 H10 N O18 7238 14120 15846 11200 16697 19358 17096 6910 18910 19311 28540 23947 21482 11848 1 14265 13840 8564 1 25788 9996 14232 7637 21714 10408 11863 9576 12982 7929 1 11200 9473 16217 6372 11347 7641 5791 650.7829@5.8270373 1 1 2594 1 1 1 1 1 1 1 1 5305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 791.953@5.826739 1688 1 2297 1 1 1 1 1 1 1 8056 4520 1 1 1 1 1 1 1 4633 1 1 1 3642 1 1 1 1 1 1 1 1 1 1 1 1 1 879.5252@5.829118 138821 1 26173 38340 214998 1 1 1 1 1 53710 1 1 34590 103800 40904 47597 29502 45963 1 1 1 23759 2161 68466 101402 133686 1 19002 1 29153 1 1 1 1 1 1 PS(18:0/20:4(8Z,11Z,14Z,17Z)) 341688 5268 76564 91535 437209 67351 97570 108246 11808 7300 97837 67732 42813 109741 302323 109593 75400 136743 100828 39697 1 1 86794 12976 180506 1 374576 38821 57160 125676 83757 9759 25565 78880 43610 92828 99906 450.7538@5.8311276 42819 1 7298 11397 192247 1 1 1 1 1 13577 1 7238 1 31161 1 1 85028 72590 1 1 122991 1 1 65514 32056 36645 1 1 6736 1 1 1 1 1 1 1 Nap-Ile-OH 6663 5933 5513 1 6141 6013 6168 1 6262 1 7929 1 1 1 1 1 3470 5295 1 8543 1 1 1 1 1 1 1 1 1 1 1 1 5204 4696 1 1 2551 C20 H3 N O20 S2 8270 1 11410 1 10910 13048 10363 5558 11073 13899 21403 12556 12281 6201 1 7899 8021 7807 4812 23260 7870 19825 1 13925 1 4812 1 9525 1 1 7845 6336 9898 1 5719 4580 3982 817.8513@5.8368354 1 1 3622 5006 4218 1 1 1 1 1 1 1 1 1 1 1 1 1 2339 4964 1 1 1 1 1 1 2081 1 1 1 1 1 1 1 1 1 1 675.3673@5.8394284 2041 1 2507 1 5111 3867 1 1 1 1 1 5251 1 1 1 1 1 1 1 1 1 6838 1 3560 1 7054 1 2164 1 1 1 1 1 1 1 1 1 C23 H2 N2 O16 S 1 5195 5503 3637 6716 1 5509 1 5380 5215 9734 4916 5683 4013 1 4154 1 1 2882 13689 1 13105 1 4139 1 1 3343 1 1 1409 2895 2995 1 1 3986 3163 3127 865.8623@5.833746 3562 1 5376 1 5324 1 4340 1 1 1 1 1 4264 1 1 1 3502 1 1 7713 1 9210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1051.4933@5.835 1 1 2567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 781.5596@5.832357 1 1 826868 480421 1 1 1 1 1 1 1 1 1 1 521057 1 1 1 1 1 514709 1 1 595979 604972 835882 629954 494667 455319 643277 526670 588011 1 703126 1 1 752475 D-myo-Inositol-1,2,4,5,6-pentaphosphate 54601 59456 68626 39926 75393 46862 61244 38375 54871 51439 87805 58381 61887 42336 41963 42973 40006 44614 37314 117658 40072 122768 34270 45987 32803 36822 38718 32845 28198 23600 39246 40699 44206 42801 33835 37105 36137 661.9@5.8357377 1 1 5317 2945 1 1 4706 1 1 4603 6131 1 1 1 1 1 1 1 1 1 1 8458 2391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 606.8838@5.833716 4880 1 6067 1 7596 1 5288 1 1 4535 8033 1 5872 4251 3608 3704 2980 1 2782 11294 3205 13147 1 4724 1 1 1 1 1 1 3491 1 1 1 1 1 3143 444.0038@5.835 1 1 3055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.9848@5.836444 72819 86618 93402 56376 93084 74951 82946 53259 77427 71999 119831 84100 88568 60732 62037 61231 61511 65700 53078 142884 61884 141639 53301 65872 47210 60153 52412 55152 40970 1 57541 61269 59774 64849 51817 53036 51089 C27 H3 O22 S2 13665 1 14442 8683 12976 12824 15320 10328 11731 12871 18889 14261 14486 1 1 1 10890 1 7275 24203 1 22125 7700 12008 8970 9559 8841 8378 1 6684 8814 10327 10258 8749 9061 1 6934 C8 H4 O11 S 60095 69519 84263 41401 82895 56194 73047 41005 59648 56591 98887 63132 71208 47831 47917 48192 46192 51268 34214 123505 48751 135523 38529 50031 32661 41603 36472 33682 28067 20841 41103 46812 46497 47862 37272 37753 37018 C21 O10 S 87378 101873 126158 60099 126082 88077 108225 59680 95648 86736 156144 102002 108810 67675 71564 69164 68551 77008 55837 192069 69681 212840 54496 74635 50558 67947 57438 52260 45031 37042 66841 69874 70481 73540 57540 60977 54983 946.8208@5.835306 13034 10444 10984 1 14534 10488 12195 1 10741 11428 11887 1 13189 11062 1 1 1 10177 9469 15375 1 18493 1 1 1 1 11231 3856 1 1 7679 1 1 9019 1 7965 8640 C15 N2 O19 61867 70367 82305 44100 84603 61539 73168 46089 64723 60560 103050 67925 74521 46965 48493 44920 47370 50264 37051 129908 45667 146945 39597 52505 34865 46184 39985 35497 28756 27347 44350 45082 48650 49698 39302 41063 37334 803.838@5.836441 25132 23407 27127 1 28153 21832 24131 19100 24097 21697 32941 1 25184 18820 1 18475 20217 19697 17871 39826 22067 38726 17016 19538 17250 17620 17306 15942 16012 15195 20482 20197 19577 17829 18176 16139 16855 C22 H2 N O21 S 42525 47808 56330 32746 57636 41950 51945 32990 44994 39452 67956 43920 51634 35118 34728 32412 33193 36020 30038 87013 31731 99785 27129 38135 24060 32929 27000 27896 21400 19479 31339 33822 36383 36362 29557 28967 28531 781.0538@5.8301435 1 1 29279 1 1 1 1 5826 1 1 1 1 1 17429 1 1 1 1 1 1 1 1 18334 1 1 1 1 1 12622 12771 1 1 1 1 1 1 11918 89.9695@5.836105 1824967 2103151 2395836 1386194 2375836 1770860 2125568 1354583 1945709 1824260 2782092 2018940 2151518 1462354 1513506 1541645 1481301 1628699 1243853 3377884 1547905 3522630 1286360 1592884 1165289 1430294 1324590 1240374 993568 817519 1463771 1525717 1559582 1591510 1302519 1292900 1253381 C22 H N2 O24 S 9525 12619 14242 1 14041 9991 14345 1 10631 10327 18635 10118 12975 1 8657 9149 1 7244 1 21998 1 24445 7077 8349 1 1 1 7335 1 1 1 1 1 8018 8139 7412 6296 C7 N O6 S 4184981 4949554 5667857 2990070 5781117 3878531 4997174 2921856 4468128 4005992 6676019 4585920 4909934 3203565 3294130 3361806 3186922 3558857 2618161 8359782 3356787 8946429 2716978 3501362 2424264 3105594 2831982 2609212 2039579 1697945 3151672 3265194 3385689 3533987 2764599 2848971 2693107 C8 H2 N O6 S 259183 303063 360039 181893 371531 244855 317945 183135 276996 252795 434625 292038 304895 198092 204240 209100 199517 226173 162639 540413 208874 587881 171917 221739 146979 194568 171254 157495 124003 100669 197979 203936 210916 221371 168688 171898 171025 484.7465@5.833539 19229 1 46826 31506 30597 1 1 1 1 1 12500 1 1 26860 29264 6787 8468 12326 25720 1 1 1 28889 1 36328 41142 52059 1 1 1 1 1 1 31895 1 1 1 C39 H44 N10 O 1 5657 6043 1 5776 4744 15830 1 6428 4298 7568 4759 1 1 9129 1 3597 4212 1 8850 1 10591 1 1 1 3703 1 3301 1 1 2980 3670 1 1 1 1 14202 C8 N2 O S 105796 127144 142665 77968 143306 105516 129452 81432 113985 107769 175642 117368 128871 87245 91741 92260 88553 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426249 388583 622338 431449 469747 308819 317846 322677 304610 345181 255578 789342 319155 824162 263696 334452 237923 293484 268738 255782 199930 165097 300509 314965 326666 331081 263392 260634 253496 C18 H41 N7 O4 S2 21775 52731 43273 16695 31435 36259 34433 25316 39144 32014 39322 32543 28994 27146 13221 18438 21033 20513 20638 41085 26108 32051 21459 26145 11012 15296 1 23743 20543 14361 26107 27139 26839 28478 34212 27322 13726 C20 N2 O23 S 21056 23795 26512 17102 29406 23243 26121 16127 20862 21211 33813 20871 26801 18424 17162 17322 17744 20457 13354 43098 16211 50088 14768 20683 16189 17506 14260 14453 11201 10876 17451 18662 16487 18936 13322 14852 12539 807.5757@5.8332844 1047684 1461206 2143311 684437 2477754 1795764 1895380 1184835 2070289 1490585 1902571 1564522 673322 1496038 688452 1361631 1313223 1460970 1020741 1 1092853 1169802 1165511 1059745 560123 656209 669870 1197361 1009503 871524 1361941 1197789 1162642 1328061 1591977 1659066 868923 C15 H2 N2 O14 S2 340411 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1 1 C46 H93 S 1 1 4064 3397 1 2553 1 1 1 3279 1 2910 1 3940 4111 2763 3275 1 1 1 3380 4483 1 1 3743 1 1 3240 1 1 2862 3750 1 3291 1 1 3666 C12 H3 Cl3 N O S5 1 5018 10471 1 1 1 1 1 6466 6049 7887 7236 5483 4623 7027 1 1 1 1 1 1 8975 1 3962 1 1 1 4132 3776 4553 4485 4452 1 1 1 5045 1 965.4551@5.922 1 1 2388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593.7372@5.9140344 1 1 5925 4719 1 3776 3926 1 4456 1 1 3981 1 3927 1 3855 4280 1 1 1 4085 1 1 1 1 1 1 3819 1 2813 3978 4728 1 1 1 1 1 414.9328@5.923833 6142 1 8820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 907.5109@5.931003 61558 85719 120702 75021 90783 101159 1 97309 117344 81977 128680 97281 75998 56743 1 73862 36426 34247 46829 66528 53427 35097 29131 51611 1 1 1 54305 49400 15131 30858 55042 57827 1 83330 1 1 PG(18:1(11Z)/20:3(5Z,8Z,11Z)) 122393 101196 245310 195721 1 176090 180213 63408 165511 1 141304 1 177629 96289 114304 78824 73725 79215 47697 97356 88363 182412 1 119904 66854 1 1 77484 36860 1 68324 1 92376 55911 1 66240 68013 C11 H2 Cl N4 O 50400 65292 59900 31709 88259 50975 43102 15528 49188 43765 101461 33097 47813 11699 17783 12580 16062 8727 7435 99227 12307 68002 4712 24676 7673 21526 13277 7565 4825 1 6234 7198 10407 9692 8179 5438 7798 797.5333@5.9138603 176179 17851 363003 262338 620305 233227 1 50352 102611 60568 1 140827 132768 78688 144300 85389 98888 71274 78770 125014 121972 179115 98871 91813 104631 149724 114954 91896 77658 102657 94608 112664 74148 139572 55062 80402 127050 882.4975@5.9283195 1 1 41564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10589 1 1 1 1 1 1 13377 C6 H6 Cl N5 O4 99075 115834 145715 95581 144949 67293 97903 38229 77416 45056 145127 71805 73701 26128 33290 21691 25839 18476 7990 96987 19424 147381 12587 18613 1 21942 21305 11454 8509 20490 14686 18387 18975 20430 16019 14154 14769 795.5181@5.9407687 40231 95415 136080 69754 199921 138502 1 26963 117378 351419 136748 123868 111944 79618 49494 69050 68006 24089 1 76219 51257 67065 49832 54899 25626 14810 13769 45476 29473 32478 28744 71556 25725 33402 19186 36048 33590 314.9979@5.938632 8770 12881 11784 7491 17101 1 8695 1 6106 1 1 5226 5345 1 1 1 1 1 1 1 1 13798 1 1 1 1 1 1 1 1 1 1 2117 1 1 1 1 837.5647@5.951487 1 19403 24463 1 1 40282 1 13265 41014 23727 29224 19242 1 1 1 1 1 1 1 36883 11082 1 9158 27024 1 1 1 16316 12934 14275 15116 22028 1 18981 3291 1 1 879.4795@5.9355116 1 42935 16226 93796 148370 61337 1 61958 68764 47281 87217 13867 90647 1 1 1 57803 1 1 43127 1 1 1 1 1 1 1 1 1 1 1 2884 1 1 1 1 1 823.5493@5.9155207 669833 46957 1059728 508317 761294 885565 1 687812 1114043 190830 1228974 221450 1 180099 668366 514919 191445 328000 347042 687717 487743 201933 217275 142245 354600 449079 1 179129 181940 165290 208167 172955 150059 199983 268735 360094 223025 398.9591@5.93759 13628 14854 16488 10862 1 1 10984 1 1 1 1 1 1 1 1 1 1 1 1 1 1987 15299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.9388@5.937971 5686 9888 6718 1 8623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C35 H59 O5 S2 1 1 12123 10879 16109 1 48207 33505 1 1 11911 1 11837 11124 22791 20900 1 37366 15395 1 1 10364 12930 1 24347 1 1 1 1 6829 1 1 1 6263 1 33115 35396 661.3358@5.9364486 1 1 3827 5506 9655 1 23827 10501 1 1 7731 1 1 1 9467 6851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4764 771.5189@5.9460444 19884 48091 51930 37401 104917 50254 41143 17088 53959 43022 89229 38607 39797 24883 34554 23894 28636 27083 14717 57485 19961 30814 12808 25969 32510 28836 19830 27164 13603 16023 1 1 1 1 21543 31245 18670 910.5242@5.9389477 1 1 24022 1 1 1 17979 1 1 1 1 1 1 1 1 11090 1 1 1 16840 1 1 10099 1 1 1 1 1 5567 2654 1 1 1 1 8811 1 5038 C4 H7 N6 O2 S 25591 55032 34445 21760 62597 50423 33716 18622 54723 52257 103071 37029 62781 22454 24209 19627 28635 16527 19857 152103 21228 71935 9717 50041 17351 36464 22705 18758 1 1 14980 12509 17376 20542 17209 1 15820 119.0732@5.9559875 157667 1 163687 133821 1 1 218175 1 1 302943 1 1 1 181073 1 1 228855 159129 1 1 201974 1 119229 1 1 1 191120 189705 117921 63590 154469 151681 1 1 1 124118 146789 432.7322@5.9115353 1 1 3351 15910 8587 1 8276 1 5142 1 1 4881 1 8190 6461 1 1 5899 1 1 1 14852 1 1 4684 1 8592 1 1 3835 1 5886 1 5102 1 1 1 209.0548@5.948905 1 33945 104979 87268 1 31655 1 20631 37061 1 1 50018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24837 1 1 1 1 1 1 1 D-Phenylalanine 784643 1005253 868269 689237 1442416 1371851 998417 685590 1440912 1428236 2085270 1111069 1764900 897653 813332 929888 1163979 808878 1309226 3393051 1022200 1605937 616455 2033387 948455 1427482 1023379 1009474 619952 357230 777916 746093 788659 883110 757323 661846 796661 C5 H11 N6 O 1671897 1786525 2145416 2266855 2495238 1936120 2414835 1566337 2212725 1654947 3153317 2456510 2694664 1646708 1835186 1822537 1902506 1768185 1491322 3395392 1691033 3750362 1515441 2079538 1415869 1615409 1957117 1537021 1158789 4232219 1593512 1686118 1622530 1678240 1471890 1649498 1613612 C12 H12 N 1 24052 23928 26807 30463 19652 24833 1 25055 20790 36342 28939 32728 18357 23081 1 21196 19581 1 37525 23948 44703 18139 26588 1 1 28292 1 1 43644 1 1 18561 19192 1 1 18132 108.067@5.9536533 1 1 429141 1 28264 25342 1 1 24271 14726 34648 26357 31342 24094 1 1 1 1 1 36229 17791 36418 1 20593 1 25171 1 1 1 34742 1 1 1 1 1 1 17822 C13 H18 N2 O3 S2 23433 38020 33950 24824 39788 32956 1 23585 37236 33793 35579 30470 1 28225 22283 1 27005 1 26646 1 29362 1 1 30345 23246 1 30835 24289 23080 4909 7384 23447 1 1 24968 1 24185 382.9855@5.941736 10087 14227 13167 10995 15048 7643 11846 5542 1 6135 1 8187 6990 1 1 1 4842 1 1 1 1 13444 1 4344 1 1 3937 1 1 3412 1 1 1 1 1 1 1 821.5405@5.94856 1 1 61402 10070 38333 1 533639 32340 1 1 19466 1 1 10281 1 1 256556 1 1 1 1 185639 1 1 1 1 1 11083 158571 4749 1 7865 1 19011 1 1 27940 C8 H6 8015 202793 10161 1 322472 290825 15396 122381 285180 29011 473739 252210 395675 9907 171839 190065 12536 1 298276 716372 9744 368270 1 443075 192973 281692 9098 8019 13239 1 7719 8135 154926 181070 156376 1 1 847.55@5.9389186 1 1 19416 1 1 69185 1 1 1 1 103467 1 1 37576 1 46071 1 1 1 1 44581 1 1 1 1 1 1 1 1 1 97123 1 48678 1 3058 1 66860 AP 23573 1 3436 8371 14421 1 1 6735 1 11848 6978 8772 13842 6820 3165 3551 1 1 1 1 4074 1 1 1 5159 1 3148 1 3158 1 6253 1 6703 5989 1 1 1 1 409.8403@5.92334 1 1 3749 1 1 1 1 1 1 1 1 1 1 6341 1 1 1 1 1 1 1 1 1 1 1 3031 1 1 2813 1 1 5100 1 1 1 1 1 Azaconazole 3794 1 7153 6454 9592 1 6431 4038 6571 1 10308 6813 7936 3597 1 1 4093 1 1 12297 4263 14706 4744 1 1 1 1 1 1 1 1 1 3952 1 1 1 3451 1000.565@5.9466386 1 1 3713 1 7632 5617 1 1 7419 4896 6958 5304 8991 1 1 1 1 1 1 4663 1 7727 1 5715 1 1 1 1 1 1 1 1 1 1 1 1 1 849.5659@5.960564 1 44886 88934 1 1 1 1 1 1 1 1 1 1 1 48285 1 1 1 41141 1 1 1 1 40252 1 1 122167 63951 1 1 1 25115 1 1 1 1 1 1026.5842@5.949913 1 5134 7522 1 1 16012 5220 1 16565 15491 16640 9802 4692 3792 1 1 4486 2165 1 12544 5460 4783 1 9006 1 1 1 1 1 1 1 2038 4775 1 1 1 1 1032.603@5.9503527 5328 1 15301 11554 14804 21025 16332 6255 28587 18510 21884 23439 17736 11050 8606 7131 8624 1 9667 13973 11138 14546 1 9426 5516 9456 4625 7834 1 7715 9787 1 9956 7676 10364 5591 2740 693.4213@5.94974 18917 1 5710 1 1 1 75159 105872 1 1 1 1 1 1 29836 20431 12627 58178 22473 1 1 1 11897 1 1 1 1 1 1 60361 1 1 1 1 1 95850 35278 418.0974@5.958195 1 1893 2680 1 1 5519 1 1 1 1 1 1 1 1 1 1 1 1 1 20300 1 1 1 8962 1 5242 1 3446 1 2213 1 1 1 1 2716 1 2644 897.4915@5.957176 1 1 6238 1 63430 1 1 1 1 1 16032 3265 1 1 1 1 46101 1 1 13867 1 1 1 1 1 1 1 1 1 34452 1 1 1 1 1 72356 1 424.1178@5.951567 1 1 3023 5581 1 1 1 1 1 1 1 1 1 1 1 3284 1 1 1 1 1 1 1 3245 1 1 1 1 1 11041 1 1 1 1 2293 1 1 723.3879@5.951626 1 1 9587 1 14962 1 6933 1 1 2373 6160 3115 1 2798 1 3980 3927 4767 1 1 1 1 3661 1 1 1 1 1 1 1 1 1 1 5415 1 1 1 865.5128@5.9459577 59615 1 20363 56907 1 36569 1 1 15143 1 1 1 79449 1 87035 36819 1 1 49450 1 12688 92839 30518 9752 1 73890 1 7467 28530 39883 1 1 12050 58662 19006 1 33506 973.4955@5.9582157 1 1 8738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15506 1 1 1 17343 1 1 4461 1 1 1 1 1 1 1 1 1 1 1 1 905.4872@5.956216 1 1 8232 7870 19237 1 131991 10326 1 3220 14306 4984 15543 11516 59696 1 15655 17260 1 7961 1 26312 1 1 1 24407 1 1 1 1 1 1 1 13353 4377 20778 19477 743.4708@5.9563046 1 1 10070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17820 1 1 1 685.43@5.9629498 1 1 16860 1 1 1 1 1 1 1 1 14386 16616 11901 1 26558 1 1 1 18793 1 1 1 1 1 57478 1 6244 1 39432 19605 1 1 1 7377 1 1 325.138@5.949 1 1 1800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 602.9168@5.949 1 1 2550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PI(22:1(11Z)/22:4(7Z,10Z,13Z,16Z)) 2496 1 5301 14698 8394 1 7322 3154 9632 8887 1 13174 11200 1 8569 1 7356 5795 1 1 15490 7915 5084 1 3545 8637 5670 10552 5890 19273 1 17279 1 13901 7492 3994 6635 988.6@5.927032 1 1 2507 1 9500 16313 7217 1 5839 5020 13785 6539 5420 13350 1 9516 1 1 1 3262 4117 1 1 4347 1 1 1 2884 1 1 11738 1 4016 1 1 3881 1 801.5448@5.9597397 1 1 8827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1016.63@5.956869 6210 5178 12956 1 15306 27002 19331 9408 38970 1 1 37801 1 18652 1 1 1 1 10930 29583 1 1 14449 1 1 1 1 25024 1 24808 1 30558 29600 1 26703 1 1 193.0811@5.9493895 27076 1 40001 57001 72480 1 1 1 1 1 103628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 843.646@5.961125 1 1 20947 12617 33570 32539 38519 24316 45152 30980 29605 35894 27803 29412 15852 29176 28717 31957 26173 25688 26282 18418 25404 28984 15916 17765 19867 30287 18969 28207 28770 23968 23258 21521 33029 33871 14818 1010.6091@5.9572334 1 13130 5237 5348 9014 18055 6931 3661 27094 21953 19001 15220 18209 10253 2406 7681 12177 4477 7473 25719 17401 9245 1 24497 1 6077 1 16115 6330 1 12215 22439 13939 11010 14511 1 4315 991.616@5.9595737 1 1 3202 1 1 1 1 1 7232 1 1 11332 9418 1 1 1 1 1 1 5471 1 5865 4055 10042 1 1 1 1 1 1 1 1 5366 1 1 1 1 Dolastatin 11 1 1 2182 4396 5011 5598 3867 1 9815 1 1 10913 1 5544 4853 3758 2514 2613 2747 8131 1 14995 1 18198 2459 9024 4889 6855 2751 1 4802 6580 6024 10545 1 1 3211 Ivermectin B1a 1 57817 56373 1 1 70778 1 1 83697 70027 1 28721 65344 51350 1 1 54074 1 1 47098 57255 1 1 1 1 1 1 37213 1 33580 39986 38426 43857 44805 45325 52585 1 781.4305@5.9567456 1 1 10140 9152 1 1 1 1 1 4178 1 8053 13805 8648 14645 18123 10817 24717 1 1 1 1 7630 1 1 13016 1 1 1 1 1 1 1 1 1 1 1 PS(21:0/20:4(5Z,8Z,11Z,14Z)) 1 994832 43959 1 1 35584 1 1 36370 33519 21749 34481 1 1 1 1 33893 1 1 1 34672 1 1 30109 1 1 1 31183 27454 1 20027 30894 30040 49240 27703 1 1 325.8793@5.917399 1 1 4261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10594 1 3481 1 1 1 1 1 1 1 1 1 1 1 1 1 283.0502@5.968312 1 1 3069 4064 5159 1 5970 1 1 1 1 6221 6755 1 1 6872 1 1 1 10301 1 1 7663 6979 1 1 1 1 5337 1 7293 1 1 5348 6448 1 1 508.3148@5.95998 1 1 8734 32290 1 7559 1 1 8730 64921 65694 1 62739 8162 35042 44037 43722 27816 1 1 64477 39027 1 65886 17629 20551 20683 6478 30961 3048 51598 6854 1 44729 6748 38890 20719 591.413@5.978137 1 1 10920 31317 1 16411 1 1 18115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9142 1 1 1 1 1 1 1 1 1 1 1 1 Enniatin B4 166268 1 10195 90240 100499 1 129167 169782 1 1 54377 1 16560 27261 267137 63422 39930 244096 302159 19830 1 41489 43864 1 878903 182109 612983 1 25836 215149 1 1 1 9784 1 105831 99727 241.9178@5.956392 1 1 18069 1 32271 1 1 1 1 5643 27152 1 1 4131 1 1 1 6975 1 1 4993 1 7230 1 1 1 1 1 1 1 1 6822 1 6130 1 6929 1 377.8929@5.974949 1 1 5708 1 1 1 1 3089 1 1 1 1 1 1 1 1 2743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.8799@5.9378743 7084 11436 4576 1 1 1 1 1 1 8379 1 1 1 1 1 1 1 1 1 1 1 1 1 4975 3749 1 1 1 1 5235 1 1 1 1 1 1 1 743.4643@5.969522 1 1 15141 1 24532 1 1 1 1 1 1 1 1 1 1 1 1 41943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37725 33300 149.1052@6.0175924 1 341647 97943 317153 115916 152420 206135 1 1 1 1 1 1 1 1 1 105150 1 1 121012 1 200783 1 1 1 147836 94086 1 1 82325 99732 1 1 1 1 1 1 673.431@6.014859 1 1 100673 1 1 1 1 1 1 1 1 1 1 1 1 258853 1 330901 1 1 1 1 1 39362 1 1 1 1 1 1 1 1 1 1 1 268959 1 3R-aminononanoic acid 1 28820 31968 1 1 16495 1 1 17727 23079 36727 1 1 1 1 1 17752 17256 1 51604 1 1 1 1 1 14830 16557 23093 1 1 11607 1 1 1 1 1 1 637.3953@6.0117903 9408 1 9269 1 42397 1 43809 10695 1 1 15818 1 1 1 21007 1 1 39161 25798 1 1 13849 7467 1 26688 14511 23311 1 1 1 1 1 1 1 1 29105 1 225.9442@6.0356846 1 67324 23219 1 1 1 51969 1 1 1 54252 52132 1 1 1 1 1 50820 1 56207 1 54283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C35 H59 O5 S2 + 6.0488815 1 1 24642 1 1 1 98926 64592 1 1 1 1 1 19523 45157 35832 18089 75317 23047 8226 1 34809 34485 1 45544 16076 1 1 10215 26707 7581 1 1 18603 6606 80204 83831 377.8936@6.051363 1 1 2467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2649 1 1 429.9059@6.100129 9803 1 5738 1 27469 8079 14158 9911 7568 15566 5986 14359 14436 7414 6337 7877 7616 8746 5768 1 12786 15854 1 5242 8600 8548 1 6924 1 1 13022 8998 1 1 7447 1 7201 C5 H13 N O2 179029 68650 137399 138819 178431 69280 321723 377662 110863 69475 163083 1 134110 128638 403641 160568 146825 251676 246203 160920 1 322251 99490 59199 422467 243949 263199 48843 86340 94123 59145 59484 1 276964 47710 226296 309877 C15 H39 Cl N9 O4 10398 31321 26410 53317 32292 20316 36494 20727 25767 24339 1 1 37965 29081 19298 24659 22731 1 20597 23157 19051 49430 33552 1 24780 28931 1 26728 17133 1 1 1 1 20049 11968 1 13030 C33 H67 N3 S5 17898 1 8449 13931 14470 1 86049 97644 1 1 22918 1 1 9216 23497 19122 4657 83386 24451 1 1 12158 11135 1 18134 11453 23244 1 7042 29451 1 1 1 1 1 70659 53850 C19 H37 N O4 75358 36092 86271 41410 63462 33063 54922 31026 32880 20965 28849 115936 234157 16407 63574 25795 18719 19379 16903 28972 130829 97213 15555 162220 25579 60717 52122 21669 124369 21255 22959 51154 55432 54339 18752 18840 51883 5-Methylcytidine + 6.077912 7294 1 14897 1 1 6076 1 1 1 4919 8108 8154 8777 1 5319 1 1 1 1 1 1 11351 1 1 1 7195 1 5684 1 1 5436 4971 1 1 1 1 1 817.6278@5.993613 1 6338 8151 16387 1 8329 18682 1 17495 13093 1 3645 9771 17415 22390 15714 1 22675 17315 11258 15946 1 18011 8459 15744 23698 1 4042 11379 11757 14679 15574 13009 16248 8294 15709 18455 849.5448@6.090187 1 1 10688 1 1 8437 1 1 1 1 1 1 23997 1 1 1 1 1 1 1 1 1 1 8979 1 1 1 1 1 1 1 1 1 1 1 1 1 843.6458@6.0899096 10872 15666 11425 1 1 21441 1 1 1 16075 18902 1 14013 1 1 1 1 1 1 12043 1 1 1 10064 1 1 1 1 1 1 1 1 1 1 1 1 1 823.5493@5.98386 1 685970 32417 1 1 19772 1 1 15468 662816 1 639613 1 525401 1 1 1 1 1 1 1 1 300166 459303 338582 1 355508 341097 1 288795 378704 394612 460914 382583 483491 1 219737 797.5332@5.9773664 24860 146988 16172 1 1 7336 1 86096 220449 4388 1 466761 242162 118839 1 99418 1 1 1 1 1 1 155299 177967 1 255832 101610 95504 1 223412 111086 205063 118684 1 102013 1 101280 737.4224@6.0726657 1 1 12236 1 59234 1 20407 1 1 1 1 1 1 1 1 12543 1 1 1 15212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14369 1 PE(20:2(11Z,14Z)/21:0) 1 12773 7462 1 1 1 1 1 7281 6250 9819 1 7989 2761 1 1 1 1 1 6625 1 1 1 1 1 1 1 10111 1 1 3149 5235 4666 1 1 1 1 807.575@6.0009317 65880 109371 77631 1 1 148069 1 1 1 130299 1 57882 1 127697 1 132148 137057 146135 131751 194406 136563 120137 109294 193307 1 36423 1 148817 90092 1 125504 120222 106249 125584 125454 135903 70750 L-Norleucine + 6.0978947 1132080 1165321 923746 670082 1637374 1523887 907953 697970 1056667 1542791 2370040 910998 1754389 617383 663927 684941 634596 522438 506304 3372570 685191 1829650 421267 1780501 745960 1100174 731693 885632 430462 298275 559985 639009 664265 700551 763946 632916 508000 furazolidone 4141 10362 9516 6431 42974 1 7890 3715 4810 10619 13309 8727 12817 1 6622 7619 6131 6565 5927 15829 10338 13537 16050 14918 1 9574 6683 10415 5709 1 6835 7959 8205 7014 1 1 6736 Piperidine 219220 225159 184857 135914 312105 267125 189557 148412 210704 292092 408917 178328 322000 122581 130097 129993 123787 104071 101099 603628 134351 341933 91290 321411 159314 214125 142497 172852 91646 62110 111422 136459 138109 146240 154607 139198 108111 Guanidinosuccinic Acid 65013 66265 53608 45198 89723 73420 53364 47004 63789 84345 110370 56227 89577 38374 40273 41852 40222 31228 34795 140522 46547 89110 30151 99762 47529 62864 45839 58094 31953 22171 40238 44460 46262 44386 52366 45206 35469 C18 H5 N3 O3 29123 29085 22623 19794 39360 31284 22856 19461 26038 34377 36211 25756 34166 20776 18969 20168 19506 17367 15268 53917 21000 33192 16522 39063 20549 27091 20241 26253 17149 11925 19944 22585 24206 22151 23572 19015 16104 Trimethylamine 138193 124038 196051 83072 197495 104296 167980 131231 170777 97762 149643 172195 126129 108272 121481 97407 115875 98301 1 229028 121214 252999 85928 110435 89108 163680 191137 97413 107237 42400 77602 1 126153 110352 103221 107361 112740 242.1758@6.098005 1 1 26003 1 1 4654 10578 1 17586 1 9691 1 5807 1 1 1 1 1 1 16145 5223 17525 1 5453 1 7843 6666 1 1 1 1 1 1 1 2952 1 1 206.1994@6.099 1 1 44050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C5 H13 N O 3.58E+07 3.17E+07 4.47E+07 2.57E+07 4.29E+07 2.82E+07 3.96E+07 3.37E+07 4.06E+07 2.78E+07 3.67E+07 3.96E+07 3.25E+07 2.99E+07 3.19E+07 2.75E+07 3.12E+07 2.77E+07 2.68E+07 4.69E+07 3.17E+07 4.98E+07 2.41E+07 3.00E+07 2.50E+07 3.81E+07 4.15E+07 2.65E+07 2.82E+07 1.36E+07 2.32E+07 3.05E+07 3.12E+07 3.00E+07 2.83E+07 2.89E+07 2.95E+07 C19 H35 N O4 17682 1 35920 1 19732 13479 1 1 10831 1 1 39891 83868 1 1 1 1 1 1 1 1 61437 1 72719 1 21243 17015 1 1 1 1 34397 1 25773 1 1 1 C7 N O6 S + 6.142795 1 38640 36101 1 56536 36736 34823 1 30637 31400 1 1 1 1 1 1 31479 32951 28914 16690 48301 27469 1 1 1 1 1 30866 1 1 1 53492 37648 43462 1 1 1 361.9185@6.1068883 6660 11068 10099 12259 15299 8425 1 1 1 16690 16041 5681 14770 1 7189 8718 8968 1 1 1 14228 7120 1 6543 10922 7088 10670 12238 1 1 1 1 13664 9222 12886 12443 7019 3-Cyano-L-alanine 1 139619 107294 1 86782 105189 128879 71420 65007 1 1 48074 104945 1 1 146971 66901 58859 1 75082 1 1 1 106056 1 92430 103932 74301 111938 1 80481 77544 1 1 1 1 125761 292.1057@6.155657 1 1 4938 3223 1 1 8794 1 1 1 1 8761 12502 1 11743 5532 1 1 1 1 1 19907 1 1 1 1 1 1 1 1 1 1 1 8517 1 1 1 154.0031@6.1584277 1890 1 3477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 569.2751@6.158 1 1 3772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1-Hydroxy-2-acetamidofluorene 12142 92582 160286 82474 181811 77975 12060 1 81684 57790 99590 235982 246797 53326 67672 77776 73075 49184 37313 125813 132122 279960 45035 144129 73535 118535 120677 41028 111884 28597 44488 111581 98724 71758 1 5653 57064 823.549@6.1567707 1 24611 40923 1 1 28900 63933 1 1 21644 1 58153 43393 1 1 50806 1 1 1 1 35787 1 1 14225 1 1 1 4774 12117 1 32112 35653 40816 34116 42820 1 117311 687.3826@6.1251607 10450 1 10225 40394 40515 1 28380 12782 1 1 15506 1 1 21541 12959 2820 1 8199 7509 14879 6011 19769 1 1 39314 18674 44121 1 1 1 1 1 1 1 1 14846 8366 C20 H5 O3 7296 1 6708 4742 1 6128 1 4116 7789 1 7870 1 4868 1 1 1 4598 1 1 10862 4060 7243 1 8300 1 6030 5347 1 3779 1 1 1 1 1 1 1 3225 886.5387@6.175174 1 1 3965 1 1 1 35993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14852 1 1 1 1 1 1 1 659.4156@6.2003565 1 1 33887 12177 64844 13323 1 16437 4876 1 103275 1 41753 1 65519 22669 23002 29300 15330 1 1 1 1 1 1 1 7533 1 5179 18431 1 1 1 1 1 1 1 797.534@6.1820374 19374 20424 30148 25174 1 1 7730 6523 13224 9423 16459 1 1 1 19537 1 1 1 1 1 13490 1 17986 7889 1 7353 13891 1 13089 10481 1 23910 1 29197 1 12162 19879 826.5642@6.1824474 1 1 9124 1 1 9758 1 1 10299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6644 1 6403 1 1 811.5308@6.1746435 9389 1 5374 6643 1 1 1 1 1 1 15551 1 7303 8149 8709 10895 11286 1 6206 1 1 1 1 1 1 22199 17054 1 1 1 1 1 1 1 1 1 7752 118.0418@6.172674 28685 1 21423 1 28368 1 33382 1 1 43456 1 1 1 1 1 1 1 1 1 10537 1 47742 1 1 1 1 24694 1 1 1 1 1 1 1 11865 1 1 1010.6296@6.1737523 15313 53908 34194 8159 16946 1 18518 1 40899 52068 38206 27787 16666 11405 1 8827 11241 1 1 54576 14752 10853 2746 32649 1 7584 1 17133 5759 1 1 7232 14972 8361 19272 1 1 984.6142@6.1728473 12051 13946 22135 8498 1 10783 11737 1 20263 12375 18204 14169 15538 1 3406 5678 1 1 1 12237 1 9414 1 1 1 8579 1 1 1 1 4153 5807 8508 6484 5088 1 4053 824.4897@6.173482 46077 1 3965 19871 34259 5245 30365 16277 7323 1 23310 8686 1 5671 42613 1 9535 24556 26051 1 1 23715 1 7786 59861 48322 62861 1 1 5943 1 1 1 6401 1 1 18593 935.6389@6.146784 1 1 9348 1 8450 1 1 1 9336 1 1 1 10750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 810.5937@6.1831403 1 25638 16936 6399 1 15975 1 1 25887 1 23663 19221 1 1 1 1 1 1 1 24364 1 1 1 15467 1 1 1 10027 6606 1 1 1 1 1 1 1 7756 Borreverine 10267 32218 29548 7987 23979 28216 15111 1 36188 30415 28372 33179 25414 7811 1 7897 1 1 1 34775 18730 17898 2030 29101 1 8265 1 20873 5012 1 9330 16646 20459 13694 28041 1 3981 795.5707@6.11247 1 1 4174 1 10871 7922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 o-Coumaric acid 315965 352449 264048 140447 30631 224485 289089 120026 223827 451810 554372 239785 199431 135830 1 167295 166548 11970 183063 1128765 168230 312964 1 337031 131557 221565 241809 182533 114697 1 8816 1 1 1 136932 1 19876 965.5178@6.2005954 2694 1 7504 1 1 1 1 1 1 1 1 1 9780 1 1 1 10662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 MID42329:(22S)-1?,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydrovitamin D3 / (22S)-1?,22,2 10230 9152 13442 12064 12195 11745 8217 1 13809 8775 13367 25100 15888 1 4382 5863 4360 1 1 1 10219 15940 1 23228 1 1 1 13544 1 1 1 11477 11060 9115 7746 1 4542 L-Norleucine + 6.176548 768339 1 670548 525035 1011829 651147 731778 437938 842822 1053352 2040434 847698 1 1 594442 522626 521206 389218 371943 3666013 610129 1934757 322764 997076 462644 1160655 637080 726853 355182 218974 403675 610488 584954 595986 679648 552968 541395 889.5096@6.159235 1 1 5915 1 28175 1 77973 1 1 1 46325 1 37523 1 1 1 38129 1 1 1 1 36505 1 1 1 1 1 1 1 1 1 1 1 28092 1 22296 1 C8 H11 O6 69654 81427 55675 29615 1 51255 60881 22447 54824 105195 115451 54088 45483 30113 1 34710 10184 1 36763 220815 35623 59237 1 78745 22241 48573 46741 43523 1 1 1 1 1 1 28907 1 1 779.5432@6.142668 7584 55397 27374 9481 45749 23929 1 1 13834 23338 101886 9146 22182 17373 29155 14057 16264 1 1 66168 12044 12943 13852 17908 6990 6704 1 6766 7526 1 12901 11445 14041 16404 11037 1 8872 692.443@6.17 1 1 12693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 793.5769@6.17 1 1 1811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 697.3932@6.172048 1 1 3107 1 1 1 1 1 3395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Piperidine + 6.1769915 1 180307 176300 124460 276334 147286 168494 102478 197911 247933 407201 180657 297897 76469 112811 115612 96635 80770 67364 758647 118081 363359 63886 206246 109469 218806 130468 151637 68852 46953 80456 124992 116581 123721 153700 108200 109184 807.5747@6.179015 61346 212780 163317 43410 1 141307 1 1 210475 1 203114 141120 137623 83036 1 67591 78362 1 1 175280 70478 99496 51337 110314 27475 1 1 79436 38904 1 55955 58489 75377 78547 102365 60708 31540 PE(20:3(8Z,11Z,14Z)/17:0) 4365 42336 14688 6040 1 45050 1 1 15526 33795 103720 12974 38646 5517 1 5865 7707 1 1 114838 6858 29207 1 6796 1 1 1 8503 1 1 6936 1 12252 6248 5730 1 1 843.6448@6.176442 1 1 10373 1 1 5233 1 1 8788 6408 1 5593 1 1 1 4553 3391 1 1 6439 1 1 1 2291 1 1 1 1 1 1 1 1 1 1 1 1 1 781.5589@6.1677556 34655 65119 79844 60419 1 48366 1 19590 66303 48557 1 72493 1 1 1 1 8653 1 20512 1 46801 50658 23388 80924 16362 36466 1 54851 25484 20546 21494 42866 27928 35010 18624 1 36980 973.5128@6.171725 1 1 9602 1 1 1 1 1 1 1 1 1 1 12474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 874.4692@6.1728597 49284 2514 4442 13276 1 1 27819 10658 3596 4959 16034 5325 1 1 1 8704 1 19262 36718 1 1 1 1 5697 40173 26910 61948 1 1 1 1 1 1 2793 1 1 14925 961.5452@6.168788 1 1 11353 1 1 1 1 2896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Guanidinosuccinic Acid + 6.1773696 37867 46090 42128 28582 72087 32381 38844 22954 47726 56364 90155 42102 71712 14480 28503 27748 16027 18553 14536 132930 30068 95145 15235 53863 20987 48499 1 36349 17027 11839 1 27985 29159 29485 35242 25620 21644 782.5624@6.1734033 19973 41151 46321 1 1 31058 1 1 44374 19615 1 47252 45393 20951 1 15839 14652 1 1 1 1 30917 12615 28113 1 1 12508 8007 1 1 13499 1 13889 23679 13790 1 1 737.4245@6.197877 1 1 44503 1 1 1 1 1 1 1 1 1 1 38980 1 57814 46474 1 1 1 1 1 7897 1 38327 1 1 1 1 1 1 1 1 22160 1 1 1 729.3927@6.172 1 1 4146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 908.6034@6.189715 1 1 3750 9973 1 1 1 1 3203 1 1 3322 4098 1 1 1 1 1 1 1 1 1 1 2860 1 1 1 1 1 1 1 1 1 1 1 1 1 915.5126@6.21173 1 1 20822 1 48778 1 1 1 1 1 1 1 1 39905 1 1 1 1 1 48283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 978.6075@6.184448 1 70655 31877 6474 1 30772 4179 1 43170 54822 46701 28290 17468 17865 1 9016 18132 1 1 43813 10933 11738 10978 18800 1 1 1 16946 2999 1 14072 14036 20547 11638 14279 1 1 695.4157@6.166829 4366 1 13825 29506 1 1 30057 1 1 6354 28108 9037 1 17674 1 26587 17175 1 1 1 1 27853 1 1 1 1 1 1 1 1 1 1 1 6748 7222 33232 1 976.6113@6.1854258 1 8426 6114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 894.5397@6.1718884 1 1 10141 1 1 1 1 1 1 1 1 2072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 865.5105@6.174917 18725 1 25504 18079 1 1 49982 1 1 1 46792 1 36001 1 25664 24770 41160 11639 13970 1 1 30450 1 4204 1 34906 23158 1 10858 1 8406 1 1 1 8503 1 1 923.5136@6.160925 1 1 22708 8757 1 1 1 17718 1 1 19209 1 10266 26734 1 1 1 24683 1 21362 1 60990 10431 1 1 1 1 1 1 1 1 1 1 1 4197 21514 1 707.4132@6.161253 1 1 21459 16869 1 1 1 1 1 1 1 1 1 24961 1 1 23510 1 1 7825 1 1 16373 1 1 1 1 1 1 1 1 1 1 11842 1 7846 18735 763.4245@6.177765 1 1 6372 1 1 1 1 1 1 1 9690 1 3120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 751.4204@6.179335 7380 1 4612 1 1 1 1 22307 1 1 1 1 6658 1 1 1 13276 1 1 1 1 18613 3288 1 4827 21870 1 1 1 1 1 1 1 1 1 1 1 850.5511@6.184466 1 13847 23213 1 1 1 1 1 16318 8241 1 14762 1 1 1 3357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9526 1 6674 1 7637 1 1 875.5612@6.1523185 1 17206 75896 1 1 19728 1 1 47289 14995 32648 49604 27345 58525 1 86735 1 7884 1 21826 24729 26374 27546 12423 1 1 1 5544 20105 1 26038 25872 31990 50138 31211 1 1 952.5915@6.1858735 1 1 10239 1 1 1 1 1 25981 1 1 25286 18896 9793 1 1 11377 1 1 11906 6210 9756 6964 14337 1 1 1 9529 1 1 1 7647 6684 11154 1 1 1 953.5948@6.1923594 1 12947 7284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8719 1 1 1 1 1 1 1 1 1 1 1 1 4710 1 1 1 1 881.5729@6.2008414 1 1 31248 7059 1 6656 1 1 1 1 1 11847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4167 1 1 1 1 1 1 1 1 C36 H55 N7 O4 143459 1 222518 381283 1525021 84072 1105432 685766 84326 94634 897989 157197 203908 201921 1099240 349972 386720 2432671 1248196 330326 60433 578075 220671 92748 5660278 1 4359024 1 163604 1 107785 52850 52326 152520 1 985943 582625 849.5462@6.1949506 19108 1 19985 24892 99421 1 1 1 18209 9473 25018 19443 26078 18048 1 1 24396 1 15662 1 15720 35463 17196 20016 1 22004 1 15792 12012 11399 8352 19775 10522 25322 6547 1 18383 C4 H11 O5 S 1 118699 35074 16589 20033 41549 18588 1 61969 116686 162782 50293 56990 33357 1 24741 51669 21254 7650 203784 18121 45963 28338 33847 51111 1 14160 31256 1 1 22467 16524 32999 28965 18113 1 12717 55.0421@6.183447 1 9254 3642 1 1 1 1 1 1 7864 11556 4234 5077 1 1 1 5046 1 1 15478 1 4146 1 1 3671 1 1 1 1 1 1 1 1 1 1 1 1 605.3303@6.182323 1 1 9854 1 34014 1 43460 8321 1 1 1 1 13061 7091 32598 15405 11587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19923 29613 THTC 79139 961669 408711 238439 248835 433321 274447 26852 584937 1071398 1561739 514012 519653 476886 74557 358836 604146 289682 139224 2306578 246821 483091 404758 396159 582947 249411 225703 365460 153842 92065 324916 235756 375422 360025 252791 190953 221778 103.0454@6.188102 1 39316 16631 1 9783 20932 1 1 1 1 64925 20807 22951 20027 1 13220 25108 11390 1 100213 1 22924 15769 1 21923 8674 1 13756 6129 4021 1 1 15508 14796 1 1 1 795.5183@6.1894217 1 6504 14055 4808 1 40541 1 1 5859 4316 1 1 1 28015 1 2340 1 1 13526 4218 1 1 4854 5926 10968 1 1 7203 1 1 1 1 1 1 1 1 1 396.9769@6.1869273 1 3140 2160 1 1 2586 1 1 2956 1 1 1 2594 3207 1 1 3345 1 1 1 1 1 1 1 3241 1 1 1 1 1 1 1 1 1 1 1 1 635.3802@6.181629 1 1 26951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10712 1 1 707.4762@6.172116 13475 1 10989 7137 29058 1 20697 9888 8116 1 11011 4780 1 7045 17684 1 14111 1 1 5230 1 16221 1 11364 65952 20598 35024 1 1 1 1 1 1 1 1 5716 8817 C26 H51 N13 O3 S 60442 1 10628 32606 55276 1 135688 132766 1 1 51764 1 21957 4755 100294 37099 27143 110471 78183 24116 1 37906 17637 1 135232 78218 127024 1 1 35182 1 1 1 15160 1 97297 51895 C31 H51 O10 26742 1 16915 41392 81949 1 117172 83533 1 1 64127 1 23968 22990 118673 40974 18554 129342 61470 30773 1 71973 50799 1 191002 98646 141044 1 1 33190 1 1 1 22952 1 68606 76464 225.9444@6.2077603 1 31879 22835 1 27453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633.8694@6.181037 1 1 2012 1 2735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2239 1 1 1 1 1 1 1 1 2250 1 1 1 1 1 1 1 497.8944@6.163314 4981 2698 3943 5152 10543 3964 1 5873 4833 1 1 4032 1 3427 4240 4278 4657 3403 1 1 5029 1 1 3656 4637 1 6792 4857 3351 1 1 1 1 1 1 1 1 310.1097@6.2 1 1 2041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Trolamine 79796 100869 110612 94960 84345 1 108419 1 116387 108999 72771 110304 95779 98174 1 105834 128760 103088 1 121176 96954 1 1 102727 1 123967 90497 1 1 79338 116416 1 101927 91051 95384 1 84545 C10 H18 N2 O4 1 10585 9843 6534 9682 7157 1 1 7233 8638 12722 7432 9804 9588 1 1 6823 8059 1 28918 5628 21057 4618 9899 1 8768 8236 5395 1 1 1 6232 1 1 1 1 1 C25 H18 N 1 1 5687 8407 8086 1 1 1 4431 6028 1 5704 1 1 1 5133 4712 1 1 5164 5882 16552 1 1 1 1 4531 1 1 1 4536 3132 1 1 3230 1 1 C9 H16 N2 O9 17664 30403 30765 36174 49993 18912 34222 20669 25850 26527 31925 26655 42864 38274 24112 32347 30764 33981 22361 26286 24456 81834 31590 25505 26586 28664 33123 16571 14604 27961 24665 24366 16068 18284 28832 30006 21978 N(alpha)-t-Butoxycarbonyl-L-leucine 18479 22377 26775 23893 27646 28184 22501 16100 26352 23102 28444 24357 23731 21090 23175 23691 18082 17124 20429 25155 16742 28765 22003 25338 19617 21849 21960 19350 22628 20286 18154 21512 21326 17881 24585 21454 18546 C8 H16 O6 42824 90970 90825 166325 157607 70497 120009 50363 88495 100889 146986 81619 177546 152401 60973 126782 99545 154141 84733 215408 112595 351853 110913 118525 101332 88789 119720 73955 55858 98652 77108 100112 50174 71640 85440 75106 69833 C10 H20 O7 251627 414127 444316 627272 641134 267899 437804 246489 370251 431950 558144 413425 629401 547284 317425 446000 442678 432588 297021 779451 380204 1264093 436654 423001 370845 396705 421871 253194 219140 363069 324555 352021 260742 272648 408872 359445 263790 Sethoxydim + 6.207309 1 1 13613 24921 20706 1 1 1 12539 12792 12761 13971 20894 20343 1 13677 12776 10278 1 13078 17334 35701 16068 14717 10971 9218 1 9431 1 1 12109 12255 1 1 8848 1 1 C11 H18 N2 O3 S2 21553 39383 53125 52363 65445 1 36309 1 36085 34460 46906 34779 49728 43121 27292 31671 34885 31889 1 60964 29653 122432 35164 1 25386 30244 33526 1 1 28585 26776 29626 22150 22197 31488 28989 1 C10 H16 N7 O2 1 19792 30401 33604 1 1 1 11965 21568 22787 29111 25093 35128 32125 1 25667 24853 21125 17484 34951 24524 61862 23620 23672 1 14451 21187 9321 1 18845 1 18973 1 1 20687 1 9124 151.0241@6.208787 1 1 10355 1 11035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.0503@6.2070704 4601 1 5798 1 13357 1 1 1 4769 6455 10740 1 1 1 1 6661 7326 1 1 22159 1 1 5257 1 4175 7342 6669 1 1 1 1 1 1 1 1 1 3713 771.5214@6.1945395 1 1 4146 1 1 4039 1 1 1 1 1 1 4224 1 1 1 1 1 1 1 1 1 1 2008 1 1 1 1 1 1 1 1 1 1 1 1 1 225.1252@6.2085943 1 1 21456 1 1 1 1 1 1 1 1 16934 1 1 14595 1 1 1 1 1 1 54655 1 1 1 18351 1 1 1 1 1 1 11999 1 1 1 11693 C28 H63 N8 O3 S4 44673 1 11942 1 58662 1 27498 32004 5585 1 33768 8070 10500 1 1 1 17135 76863 83630 8739 1 19349 18363 5688 193426 78275 209295 1 10589 31900 8264 1 1 12057 1 49740 48308 Diethanolamine 101110 1 106613 101962 98239 97728 103559 84706 118269 124992 98631 92605 110821 89225 84717 88914 104490 83919 86265 126100 103660 111499 94337 119288 90130 89269 101443 105530 90332 86622 104703 98048 98746 97982 93140 89268 88043 105.1179@6.208194 1 1 3885 1 1 1 4716 1 1 1 1 3921 1 1 1 3542 3382 1 1 1 4524 1 1 1 1 1 3356 1 1 1 1 1 3488 1 1 1 1 (R)-(+)-2-Pyrrolidone-5-carboxylic acid 15012 17405 15252 10210 1 8952 12096 8733 13115 13864 19211 10714 11693 6921 9148 1 9931 1 1 30177 1 23516 9915 1 8313 11823 8650 1 1 12536 8238 9140 10554 13875 7636 1 1 883.5194@6.2030034 21651 1 16268 1 1 1 1 1 1 1 1 1 1 67483 1 79096 1 1 1 19867 1 1 1 1 1 1 1 1 1 1 12298 1 1 56761 1 1 49179 189.9855@6.2203403 1 1 6412 1 1 1 1 1 1 8411 6220 1 1 1 1 1 1 1 1 25712 1 3248 1 7285 1 1 1 1 1 1 1 1 1 1 1 1 1 725.4245@6.1867743 1 1 2543 1 1 1 1 1 1 1 1 1 1 6206 1 44172 1 1 1 1 1 1 1 1 36075 1 1 1 1 6071 1 1 1 1 1 1 1 C7 H17 N O3 38348 53926 110226 2429911 62717 49375 69145 1 1 62793 51730 1 68760 55966 1 40878 55663 48430 44300 59782 1 101028 53479 1 47496 81333 57356 1 52673 36164 1 87135 169863 167151 1 1 55046 131.0943@6.2169356 1 820093 360725 1 1 1 1 1 130532 119598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 858.5787@6.2458777 1 1 5186 1 1 1 1 1 1 1 1 1 2803 1 1 1 1 1 1 1 1 1 1 5325 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0742@6.2385063 188484 1 42306 28383 77509 1 1 1 1 1 24553 1 27261 1 40066 1 25015 1 1 1 44999 61216 1 1 27161 284395 487501 1 1 28209 1 1 1 1 1 1 1 C19 H42 N6 O5 S 42070 34727 46400 67350 46664 38691 54876 35536 45025 43490 41775 39542 44741 47216 38840 39633 40765 41053 33296 36772 35489 65312 44808 39023 46204 45728 43863 37284 37865 35214 42790 43960 38277 35602 32005 35278 35869 340.1108@6.251222 1 1 4447 1 7517 1 1 1 1 1 1 1 3831 1 1 5532 1 1 1 1 1 22559 1 1 4086 1 1 1 1 1 1 1 1 1 1 1 1 466.7954@6.2498627 1 17584 17299 30022 22299 16895 22491 1 19114 15988 16738 1 19270 20537 15907 1 17417 1 15337 15325 13146 24592 18811 1 17854 19263 19467 15046 17611 1 18524 17669 1 1 1 15427 1 C12 H24 O8 102969 265962 348325 895886 614216 181369 326380 159683 325191 388747 304584 354115 615077 598198 256741 450435 388365 287799 334905 340094 439546 1144739 539262 351056 342727 304442 382792 211363 197761 293931 364115 324822 139664 190801 275667 262404 180881 687.4467@6.255388 130660 1 61972 82566 452939 1 324942 240842 1 1 95661 23012 72333 109802 121779 178954 1 1 81212 1 1 131211 1 1 123085 142022 86364 1 37896 88619 1 1 1 44907 32814 258777 1 Mesquitol-4beta-ol 3,8-dimethyl ether 1 1 6060 7181 14426 1 3884 1 1 1 1 3714 5721 5411 1 1 1 1 1 1 3822 26264 1 1 1 1 1 1 1 1797 1 2673 1 1 2689 1 1 C18 H33 N O4 12540 6025 9331 1 1 8741 10560 1 1 1 1 10749 13957 1 1 1 1 1 1 1 11554 1 1 15987 1 4795 7612 1 11603 1 3257 1 5504 1 1 1 4505 620.7641@6.2687526 1 3514 12947 1 1 1 1 1 14251 1 1 1 1 1 1 1 1 1 1 1 1 1 3734 1 7033 1 1 1 1 1 1 1 1 1 1 1 1 595.3291@6.2622085 1 1 3092 1 1 1 1 1 3703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3093 1 1 1 1 1 1 1 1 1 1 1 1 1 827.5301@6.2577877 1 1 3367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60509 1 147307 1 1 1 1 1 1 4853 1 2451 1 1 1 1 1 1 C30 H64 Cl N3 O5 S2 124040 13273 68362 70634 215069 70009 114967 59834 7423 13294 1 24274 40589 49422 119084 62299 52003 77529 72279 1 1 51045 55136 8102 31608 129260 148826 8750 29999 43442 31627 8025 1 36697 21138 93922 99721 C26 H49 N O S2 31744 15365 16698 1 21224 15340 18673 9016 7567 6650 8799 9047 25395 3839 1 5814 5641 7317 17549 15555 23504 14759 1 33799 4044 8097 10528 4625 19423 1 7541 9391 7052 3969 4721 8389 1 859.5919@6.2863774 36714 1 55555 38917 1 1 73188 1 1 8060 1 16822 40989 44519 1 1 51420 1 1 26859 1 1 1 1 1 81723 1 1 1 1 1 1 1 30298 1 1 35064 C32 H53 O10 141779 1 19520 56072 143635 1 176887 179283 1 1 54860 4200 21651 27710 133994 49783 27462 182765 110798 24810 1 36762 32546 1 184816 95569 174010 1 17887 61382 1 1 1 13858 6846 105015 88918 C37 H55 N10 O4 1 10911 163666 75292 1 1 571241 1 1 1 1 32538 1 92252 118154 159450 76931 251928 43663 1 1 139179 120422 1 102226 113500 121634 1 21941 152672 1 6869 1 80475 34643 234872 158389 783.467@6.2879863 1 1 9405 1 1 1 40659 1 1 1 17707 1 7811 6193 1 9853 1 1 6826 1 1 1 1 1 1 1 1 1 1 3580 1 1 1 1 1 11566 14606 C38 H55 N O2 S2 1 1 76689 1 59123 1 29901 1 1 18415 36737 41028 1 16636 1 1 20297 1 1 1 1 18747 21578 10940 1 23607 1 4976 12357 1 41912 9460 1 29633 19721 1 26925 C17 H33 N O4 63885 21091 71221 31962 36425 20180 41021 20714 27183 13308 18887 78875 142437 13235 41793 14924 13951 1 10133 29213 68314 98205 7647 82801 15031 40139 33052 12412 57833 10011 12198 38024 31610 31621 10897 15600 38626 717.4255@6.283607 1 1 48889 1 1 1 1 1 1 1 1 6689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6868 11301 13663 1 1 18787 1 1 9519 C36 H59 O9 254161 33042 46151 128981 805587 31581 249106 241800 37643 16670 169245 34911 47526 72614 408845 111045 97335 356816 316169 101500 31586 110133 1 57876 878533 436598 838090 35554 63037 168079 44227 19233 17314 43920 1 1 154888 930.5614@6.2842803 1 1 1888 1 1 1 1 1 1 1 4517 1 1 1 1 1 2853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 643.3485@6.295 1 1 11137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.5286@6.3052125 1 1 14127 1 1 1 1 1 1 1 1 1 7937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 885.5366@6.297 1 1 27881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 745.453@6.243471 1 1 18664 1 1 1 1 1 1 1 6994 5272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12222 1 1 1 662.4001@6.320037 1 1 6454 1 1 3130 1 1 1 1 1 1 1 1 1 1 1 1 7189 1 1 1 1 1 1 1 1 1 1 4894 1 1 1 1 1 1 1 923.5141@6.2941384 14614 1 10776 2588 1 1 1 1 1 1 1 1 1 1 1 1 13648 1 1 14236 1 107982 1 1 1 51092 1 1 1 1 1 1 1 1 1 1 1 725.4223@6.3109884 16134 1 29419 22177 1 1 1 1 1 1 59341 1 1 1 1 1 1 36306 1 1 1 1 1 1 49105 1 128463 1 1 1 1 1 1 1 1 33539 28761 881.5054@6.233009 21498 1 17902 22050 1 1 1 1 1 1 51114 1 3257 7202 1 1 45122 1 16758 43028 1 73135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.6299@6.2725844 1 1 7399 20965 1 1 1 1 1 1 1 1 1 1 1 2315 1 1 1 1 1 1 1 1 1 1 9049 1 1 1 1 1 1 1 1 1 1 765.4477@6.248923 1 1 4490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2390 1 1 1 1 1 1 1 779.5437@6.280878 8223 14288 14416 1 1 16374 1 1 11749 13374 113659 51743 14020 6010 1 1 1 1 1 29771 1 20974 1 53145 1 1 1 4079 1 1 1 1 1 3569 14283 1 1 879.5551@6.20763 1 1 18774 1 1 2615 1 1 1 10443 1 1 25565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11403 1 1 1 13632 1 1 795.0674@6.3 1 1 2917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.4018@6.1945596 1 5746 10957 38499 111530 1 92292 49588 11466 8284 1 14792 1 1 91829 1 1 81763 70258 1 6634 17252 12654 8400 173762 70894 131456 8780 8616 33300 9616 4770 1 1 1 41340 25056 707.4179@6.2172894 1 1 3366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16898 1 891.5799@6.301 1 1 6293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 709.4292@6.274426 58607 1 20837 18620 1 1 94242 44076 1 1 53651 1 23794 1 1 12426 1 53185 1 4736 1 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1 1 1 3470 1 1 1 45513 1 1 1 1 1 1 2460 1 1 808.5782@6.3269615 1 1 67608 1 813671 68444 1 1 1 56135 1 1 61980 1 1 1 1 1 1 1 1 1 1 52310 1 1 1 1 1 1 1 1 1 1 1 1 1 961.5498@6.305397 1 1 10794 1 1 1 1 1 1 1 8593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 861.6042@6.31493 1 1 11651 1 140247 1 1 1 1 1 1 1 25238 16525 35106 1 1 1 1 27973 1 40709 1 1 1 1 81406 1 1 1 1 1 1 1 1 1 1 946.6349@6.3132734 1 5764 8556 1 10322 8091 2150 1 7450 6353 12320 4393 6234 1 1 1 1 1 1 13203 1 5088 1 1 1 1 1 1 1 1 1 1 1 1 3132 1 1 843.6465@6.319154 12598 18389 26822 1 1 20410 1 1 17806 17812 26327 14583 17824 10606 1 12528 10176 1 5645 1 2186 17282 1 11912 1 1 1 1 1 2577 2575 1 3369 1 10730 17617 1 784.5787@6.303 1 1 7253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 507.1513@6.3193593 1 1 5489 3391 1 1 1 1 5396 7494 9455 5192 7679 1 1 1 1 1 1 15902 3667 7489 1 8158 1 1 1 5045 1 1 1 3166 1 1 5245 1988 1 2S-amino-pentanoic acid + 6.319823 1290235 1404112 1311930 984202 2138896 1625886 1203254 776917 1195480 1791242 2957038 1235396 2056149 807952 946309 853572 804105 690850 572650 6047505 759369 3029081 510647 1894756 939594 1744010 747482 975641 380481 406797 576656 743495 687417 842249 1017066 789757 733990 817.6272@6.315239 1 8383 23066 9632 1 12616 23583 1 1 6785 14287 14688 17879 7089 1 6573 1 1 1 4378 3071 16043 1 1 1 16320 1 1 1 1 1 1 1 7613 1 1 1 763.4357@6.3182545 1 1 1971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14789 1 20945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 753.4222@6.2633877 1 1 9630 8441 50003 1 1 20207 1 1 1 1 1 3448 17314 16724 1 1 1 1 1 1 1 1 19270 1 28945 1 1 1 1 1 1 1 1 1 23803 875.5855@6.263925 1 46043 16301 1 1 12854 1 1 1 36606 1 1 42707 1 1 1 1 1 1 23933 1 1 15320 25563 46751 168413 1 25134 1 1 1 1 1 1 1 1 1 878.549@6.219427 1 1 5424 1 1 1 1 1 1 5092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9228 1 1 1 1 1 3597 1 1 755.5426@6.27439 6054 1 17402 45981 1 10208 1 1 10855 13863 1 10145 31708 19938 1 33452 1 1 9987 1 2185 1 1 52225 1 1 1 1 1 1 1 1 1 1 26780 1 1 797.5326@6.262022 1 1 7812 1 1 3398 1 8971 20443 14811 1 4207 5063 1 1 1 1 1 1 1 1 1 1 3312 1 25613 1 1 1 1 1 1 1 1 1 1 1 779.4236@6.391583 3686 1 4514 8294 1 1 1 1 1 1 1 1 15419 12209 1 1 11817 1 1 1 1 29634 1 1 1 1 1 1 1 1 1 1 1 11986 1 1 32807 805.5471@6.3419127 81878 5546 68008 1 1411435 71732 1 1 1 66127 1 1 57908 1 1 1 16114 1 1 1 1 17884 1 48957 1 59523 1 1 1 1 1 1 1 1 1 1 26747 831.5622@6.308235 1 24179 190037 65106 783018 1 1 1 20053 1 1 77283 121100 102892 99964 138842 1 1 1 317562 1 1 45606 45916 1 1 1135882 20193 59949 1 1 1 1 1 60267 90530 1 899.5149@6.2114425 1 1 21021 1 1 5050 1 1 1 1 149899 3850 1 1 1 1 1 1 1 1 1 1 1 1 28309 99650 1 1 1 1 10547 1 1 1 10916 1 33297 C4 H7 N3 O4 81805 92357 91675 75520 95538 100205 68912 52569 85269 76042 125422 86514 113170 62934 55169 61577 60657 45565 43131 191526 68568 122025 45767 106568 58261 87079 44442 81240 44225 1 56067 74018 68195 74069 82768 61840 54488 667.3843@6.2930074 45409 1 26037 5766 38056 1 1 1 1 1 1 1 43867 1 1 1 1 1 1 15550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22574 C15 H16 N4 O S 15873 19175 15606 13631 18243 25563 12519 1 18350 28056 32326 15904 25130 9778 10213 9634 9982 1 1 64616 14081 30978 7487 29052 1 15960 1 18210 6753 5311 9873 12798 1 10834 17856 9284 8272 694.4609@6.312085 1 1 11653 1 1 1 1 1 1 1 1 1 1 15468 1 37275 23679 72542 152794 1 1 33306 1 1 1 116882 1 1 1 1 1 1 1 1 1 1 1 721.413@6.305599 1 1 21860 1 1 1 1 1 1 1 1 1 30274 1 1 1 12634 1 1 1 1 65356 1 1 1 1 7136 1 1 1 1 1 1 6738 1 1 1 795.5799@6.2869425 1 4239 6213 1 15635 3318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.08@6.305256 1 25305 35648 22767 30522 16199 7230 5850 34756 36327 30561 12155 15251 1 13771 1 11167 10319 1 1 1 1 1 1 1 30050 7630 1 1 1 1 7826 6767 18379 1 1 12272 489.3458@6.308818 1 1 6255 1 1 1 1 1 1 1 1 3770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 681.4055@6.251462 2163 1 20777 37072 1 1 1 1 1 1 1 1 1 14725 6252 2561 1 1 1 1 1 1 3720 1 73737 1 97369 1 1 19916 1 1 1 1 1 1 1 C17 H3 N3 O3 1 22144 24585 18427 17613 1 14547 15405 1 1 1 22622 9450 7151 1 1 1 1 1 1 19113 22531 14382 1 12441 1 9942 19508 13857 1 16630 19551 17376 16234 22515 1 1 735.4266@6.313911 1 1 13611 1 74528 1 1 19438 1 1 29802 1 16098 1 1 1 1 1 1 16117 1 1 1 1 1 21493 1 1 1 1 1 1 1 1 1 1 1 C27 H52 Cl N3 O 4465 1 6900 1 9088 6324 1 1 7489 1 1 11582 1 1 1 2809 1 3591 1 1 8362 9078 1 14382 1 4548 1 4295 1 1 1 3242 4126 6791 1 1 1 751.4294@6.2809825 1 1 1838 1 1 1 45079 1 1 1 30665 1 1 1 1 1 1 1 1 15749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C31 H66 Cl N4 O8 S 118312 30056 94486 85695 759327 1 334498 260093 22006 21307 147110 26885 60334 101807 111355 73227 113972 216727 104252 98410 1 1 1 25928 336582 56584 1 1 1 19105 1 1 1 31976 9279 211822 51114 C31 H58 Cl N5 O4 S 69657 12420 58520 52684 364268 32984 106634 37792 1 15499 126431 28361 94737 52740 93831 91145 62387 66996 25723 59774 1 184257 49170 32006 37386 115236 64084 9857 1 34028 21118 1 1 39907 15500 76799 71225 C30 H61 N9 O S3 289205 24871 77704 194785 1355304 58193 837500 351431 18438 55547 406792 46324 287362 274211 457855 447611 289958 494948 246280 349711 9513 559537 212415 27227 148285 545838 263941 7694 82382 103976 40014 9344 9390 127712 56972 583656 365039 549.3423@6.3215413 1 11949 9059 1 1 1 1 1 14509 1 11148 3071 11918 1 1 7261 1 3165 1 12697 1 20801 1 6980 1 10905 1 1 1 1 1 1 1 3848 1 1 1 C35 H58 Cl N5 O4 160192 15538 100288 89498 512571 1 504960 367684 23990 31414 225265 49211 103426 84647 239138 181152 130963 255561 102699 151119 11708 206312 74976 33432 204777 286489 1 18099 38162 151966 30238 9116 9262 65752 47896 298724 171601 C42 H65 S4 1 1 34522 1 1 8896 1 59838 1 8851 78523 18282 76519 26359 115232 84560 48992 1 26227 1 1 1 29072 11075 1 1 1 1 1936 1 1 1 1 45706 1 1 128386 C17 H31 N O4 98673 35769 108271 42405 44888 29850 70866 33971 45045 21669 38704 177658 212204 49232 101313 27430 22388 22005 20750 30879 166369 155648 37831 145613 28005 81757 63222 29882 83811 15150 26343 75433 55057 59762 33038 35080 80135 C24 H47 N O S2 30715 10177 14488 4084 14032 6432 18367 8525 4955 4040 6193 14184 26856 4467 6867 4432 5778 5513 11043 11191 27085 18583 1 43696 6108 9282 8100 5719 21041 1 4972 9927 7371 8152 6546 8642 6247 C13 H22 N7 O4 1 104885 10731 176541 21049 72775 1 1 84394 8753 1 94116 140094 162030 7384 101027 98079 94308 75674 1 87437 279726 131327 77155 8130 13681 10679 71778 64719 1 79171 114058 60399 60982 1 1 77056 357.1994@6.3411026 61734 1 81651 1 128157 1 71339 1 1 76237 88116 1 1 1 62198 1 1 1 1 79884 1 1 1 1 69608 96764 89717 1 1 67134 1 1 1 1 65872 59934 1 833.5774@6.353084 176587 1 41067 16024 437019 1 65510 59641 1 1 98566 23168 1 45670 126361 48831 47690 56479 72740 28549 1 76080 26652 10322 79661 171687 187147 1 21317 121036 1 1 1 25978 18570 67815 37151 C33 H61 N3 O9 S 145691 19084 359927 192786 604582 77443 1282305 479717 1 59196 384060 137029 338989 275072 566614 480844 370098 1041539 203152 376246 16563 797218 300931 35215 571413 423511 457407 53820 97739 319225 139749 20431 20795 294959 131300 1041706 943100 N-palmitoyl glutamic acid 1 10802 6475 1 12084 10448 1 1 5698 8344 6438 1 1 1 1 1 1 1 6853 15927 15252 1 1 16943 1 8015 1 2605 13740 1 5271 3879 1 1 1 1 3531 835.5934@6.3548064 1 14862 81083 98890 1315740 1 1 1 1 4973 196770 35061 78444 61970 193096 132739 91993 210038 1 1 1 96533 74578 1 336190 332456 1 14047 41974 1 51290 1 11404 50128 1 152810 51700 C13 H40 N14 O4 S 15382 60177 44329 79209 51092 51867 63353 44689 55631 49135 47889 46885 55837 53475 44182 41221 45027 45273 45971 46220 1 68956 56589 50571 49112 52208 53832 47489 45246 33872 45944 46868 45105 45904 41071 48916 44089 C30 H41 N7 O3 1 26479 12324 1 32275 11291 9699 1 20943 11348 14866 8841 12818 12758 6362 7930 7771 11974 7672 32913 7357 16432 1 11816 7407 7800 12766 7257 8305 1 9102 7137 6853 6750 1 9778 1 C36 H61 N2 O S3 83832 1 75860 70201 195077 29743 277671 165353 1 16457 62640 33369 69660 64746 178098 122429 86251 246567 88842 90302 1 126127 73525 1 256717 109375 268765 1 36497 107424 34364 1 1 51117 1 167028 168844 C29 H55 N13 O3 S 656257 35311 65434 259969 762556 48712 277765 351074 38194 34543 103021 1 1 94692 807897 171612 89350 501137 743161 126701 26351 1 105826 43952 2570569 846808 1826977 71877 79032 236984 41051 18252 29543 1 41519 173049 179483 C31 H64 Cl N O8 S 45634 1 43124 115605 808200 20396 269184 152459 1 16000 1 28750 102749 132251 255199 228533 154232 295202 99679 1 1 1 179330 1 100448 283911 415725 1 49210 86622 33286 7019 1 85062 28186 283772 209479 C29 H49 O2 S2 19986 1 15813 11058 85022 1 55486 48399 1 1 22444 1 15298 13947 52974 21987 16911 55288 35943 6076 1 37273 1 1 80345 43768 79304 1 1 10796 1 1 1 1 1 33745 34845 C24 H43 N8 11158 13360 17714 9283 38121 11318 18562 7099 11723 9160 12739 22820 29933 9910 22298 12440 12495 17984 16102 11989 18548 18907 10018 22676 12577 20650 28006 9222 15235 3341 8603 9897 12729 13043 6088 12374 16708 653.3909@6.3722744 8122 1 9584 1 1 1 72409 29734 1 1 1 1 1 8479 1 9242 5544 15980 1 1 1 1 1 1 1 3687 1 1 1 9470 1 1 1 5285 1 27487 25206 C7 H8 N2 O 409342 436649 704544 291027 532373 326917 480901 375128 667987 369839 627303 286960 543249 526883 366059 256774 412182 424796 419547 514224 663186 1098200 253042 468595 166377 422062 264363 408917 237514 106769 360620 530656 182508 459255 670511 504586 347574 C24 H41 N8 28203 8314 24145 14240 33668 13142 26758 13681 19011 9111 13429 43527 67725 1 44865 10913 9775 9004 8931 18286 44949 47291 8768 54763 13134 30124 26253 12588 38490 8328 9449 17575 17289 34338 10028 14494 36293 679.4426@6.3809533 161746 1 21977 46552 165433 1 113749 1 1 1 1 10480 1 1 152362 1 1 94514 149608 35460 1 1 16301 1 388386 162366 422548 1 1 44055 1 1 1 1 1 69979 78654 4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol 19807 142586 143936 37119 160596 93652 92296 15834 41848 97603 65530 113655 102041 80331 92633 23804 40409 33882 44954 114473 80715 118719 33177 36568 27957 89733 113248 73355 50765 19225 43383 146359 16509 81639 1 107859 103886 C36 H45 N11 9791 1 18093 1 57542 1 1 24685 1 1 19690 1 1 8600 1 22631 18482 38078 22814 1 1 1 1 1 21107 1 27355 1 1 1 1 1 1 11060 6731 1 28222 PD 173074 4025 9834 8621 1 25476 6435 7717 1 7195 1 7694 1 6521 1 8883 1 1 8596 9191 6398 1 9301 1 1 11013 7781 12382 1 1 1 1 1 1 1 1 5397 1 311.2095@6.39893 10325 1 12024 1 1 1 8236 1 1 1 1 7746 15387 1 7510 1 1 1 1 1 7698 17843 1 13337 3050 7598 1 1 9316 1 1 5146 4957 8546 1 1 1 707.4034@6.3928003 1 1 9547 1 30839 1 34693 1 1 1 12169 1 1 1 1 12818 1 18162 1 1 1 1 10375 1 1 1 1 1 1 11396 1 1 1 11879 1 1 1 C34 H67 N3 O4 S3 342314 11338 190772 151893 309744 40364 989741 700981 1 28405 260879 49755 148026 185863 381950 383631 233139 617997 289015 1 1 254380 140658 12563 408193 334820 471644 1 68651 300609 81414 9386 7809 125289 90525 602193 477504 C34 H49 N7 O4 201025 18513 115562 165811 297695 39729 405833 295032 26981 32108 129680 45860 110928 106127 261580 299091 1 1 1 79927 1 1 122221 1 201503 258929 317085 1 1 155202 64429 16798 1 92017 55461 307083 393115 C7 H11 N O 1 139364 294645 1 260870 129388 1 1 198358 131578 167337 327656 152181 109399 181868 105565 89030 72839 1 244862 1 401861 70992 1 85967 164759 182104 162917 1 1 148478 86441 1 75788 1 82780 1 2''-O-Methyladenosine 109024 82852 206954 81436 139345 74331 112893 64754 114270 71656 78398 109339 117007 65212 74344 53413 67238 58300 46085 197767 83582 301370 46787 96179 54902 120407 98860 63099 59454 33730 69750 78238 51407 58750 53779 61882 49864 664.4146@6.403508 1 1 47887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 807.5627@6.3825874 1061897 111754 152750 28293 1 59262 255019 257364 86552 55556 349913 94017 192302 52913 1091420 324437 388231 451606 414956 167185 22305 382017 203191 40342 993413 38352 2202934 40325 92613 292204 130525 29363 16596 37069 54132 277002 247062 19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol 7334 1 8430 1 12073 5102 1 1 1 5569 4305 1 21490 1 7702 1 1 1 1 7644 16310 13451 1 18787 1 7816 5057 1 17090 1 3357 5237 7626 11201 1 2843 7407 C16 H35 N O10 47286 63331 52383 86891 73246 47639 50316 45167 45956 44365 50119 49012 69186 74437 47416 53753 54539 51725 44497 48501 41765 130803 68136 41006 47613 69549 52525 45113 38709 41297 47517 1 38765 40035 37306 45841 43591 661.3968@6.4051466 1 1 47773 1 151414 1 196228 86768 1 1 64337 1 48743 54573 1 1 62700 106516 1 31891 1 83570 55394 1 1 1 1 1 1 31666 24215 1 1 43324 7030 145966 62654 C19 H51 N22 S2 99313 1 12719 46860 192080 1 39162 50757 1 1 1 7919 13577 1 144929 1 26980 46346 125943 1 6423 1 11564 9564 319366 174753 359653 15285 23693 1 1 1 8736 1 1 1 25799 2-Hydroxyfelbamate 10482 5655 12858 4492 18870 4607 8185 7688 5557 1 15881 6278 7078 4234 8364 5923 6524 6282 3662 23407 1 52155 3713 7584 5050 13682 18386 4026 1 6687 1 5103 4407 6985 1 6727 6267 Fibrin 95740 350502 171610 79412 206275 124900 71461 96610 126676 201389 259568 60411 57174 153945 87414 105682 254962 172007 169747 376978 86499 129758 95532 76511 104289 153388 304971 87113 85423 45252 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H49 N S2 17344 6371 17724 11019 25754 1 19421 9748 12615 6386 8411 36233 48081 4337 33075 9076 1 8548 7503 6803 30270 25778 5770 32841 9483 21332 23038 7544 31130 4171 7139 12478 12092 17100 4140 9187 26647 C22 H37 N8 1 1 20425 1 22375 1 19371 1 1 1 1 32130 43675 1 27803 1 1 1 1 1 28799 31358 1 29126 1 18637 15885 1 26053 1 1 1 1 21412 1 1 26481 835.5934@6.4524255 670480 1 67813 92665 1 1 1 1 1 19179 124993 31659 1 86735 1 1 112150 1 186123 1 1 1 52815 11918 309304 422442 1 1 1 1 1 1 1 1 1 1 1 C30 H51 O3 S2 + 6.459119 5318 13103 11532 1 27516 1 10137 1 1 1 8946 7405 8494 6059 10526 6417 5521 7490 7225 6634 1 8198 1 1 10851 8501 17158 1 1 1 1 1 1 3676 1 1 1 131.1308@6.462798 1 10650 14825 1 1 1 1 1 6207 1 1 1 1 1 1 1 1 1 1 1 1 13028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C15 H29 N O4 52555 17708 54652 30337 33839 9524 39831 19077 17142 10432 14988 62373 131851 12539 50216 13383 11539 11871 12824 30086 59553 101776 11466 73075 18765 47067 38383 10963 58251 1 10906 33818 33332 36437 36895 14735 37919 401.2769@6.468075 7940 1 4954 1 1 1 6603 1 1 1 1 1 6546 1 1 1 1 1 1 1 4727 6003 1 7825 1 1 1 1 5619 1 1 1 1 1 1 1 1 306.115@6.4683075 1 1 7746 1 1 3707 1 2035 4943 1 6614 1 3947 1 1 1 1 1 1 7298 1 11311 1 1 1 1 5308 1 1 1 1 1 1 1 1 1 1 603.3537@6.488152 1 1 5531 1 43609 1 1 1 1 1 1 1 1 1 1 7608 3312 9821 6261 7013 1 15337 13599 1 6771 6784 1 1 1 1 1 1 1 5910 1 11652 1 C31 H59 N3 O9 S 347574 20786 279504 190923 414593 54658 1274595 706539 1 42171 299496 80744 169323 226580 516325 431291 283075 1143280 340696 125374 14023 370988 216395 17925 406344 393213 617782 1 100700 356301 104399 13252 13386 175928 75243 717407 808906 C13 H3 O12 S5 4333 30367 17630 35263 21398 22458 27638 1 23904 20613 22583 19073 24295 22005 17512 1 19210 1 20067 21574 20137 21415 20925 19590 20239 18983 22503 18192 19647 16788 1 18440 17910 17137 17227 15432 17618 C31 H61 N3 O4 S3 97527 1 502594 96390 550849 1 1105711 432693 1 35643 247180 154371 229022 186502 623726 380977 316028 1428679 219271 100877 1 460564 183338 17969 493481 418704 401153 15560 96063 198510 102688 10096 1 369071 1 722823 1233783 511.3239@6.486 1 1 6175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C18 H39 N O11 40709 58490 42510 72535 56492 36582 43351 35120 37079 37580 42558 37791 52041 60611 38661 40314 38580 43976 36886 40251 32216 103801 54954 36117 36827 58806 41406 33094 35775 30810 35455 51477 33308 33072 34136 36447 36999 DL-2-amino-octanoic acid + 6.4934916 1 187995 176130 37292 119107 119418 1 1 91443 144525 214676 64121 58182 61031 1 59460 112155 91716 60538 344977 66900 66367 40435 68954 1 96201 102635 92033 61078 1 75959 38365 59797 1 1 1 1 807.5627@6.4858313 972561 52789 136814 273574 2386850 32678 261185 232886 1 1 298807 69404 156927 221646 1132999 288198 375347 414841 335760 146280 1 300720 173175 30834 912617 1350747 1921275 41950 87831 256511 103704 22942 20358 123498 54135 228249 233295 C34 H55 O9 623728 48505 224049 447432 2039016 64584 1123065 795337 59997 54170 272405 118756 262605 287059 1403610 582743 347034 1230145 497014 94059 26699 468801 478812 43089 1489970 1024894 1392197 49830 145239 626196 107098 38698 49960 193064 92647 845989 817497 C33 H53 O9 1853676 111008 271661 722240 3970214 156945 2631934 2025799 1 86577 733019 138330 368326 498910 2455750 949820 608628 2407998 1695739 314902 76222 632604 657191 138342 2862584 2105780 3369499 92026 339814 871676 180966 58434 63035 260726 136863 1592540 1316881 657.3973@6.4957185 1 1 13148 1 1 1 6403 12009 1 1 10597 1 1 8857 1 1 9300 1 1 1 1 1 1 1 1 1 1 1 1 9589 1 1 1 1 1 1 1 745.449@6.5826335 1 1 10096 1 64095 1 1 1 1 1 1 1 1 16460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14693 N-palmitoyl glutamic acid + 6.5176063 21669 1 17287 10871 22432 1 14480 9878 5799 1 1 29383 43602 1 23133 4975 5321 1 1 7548 26378 25299 1 28391 1 17507 21276 2780 32360 1 3371 10094 12803 17066 2685 5980 15768 665.4479@6.506688 59375 1 10548 17912 1 8727 1 1 1 1 1 1 1 1 1 1 1 1 58936 21662 1 1 1 1 168686 1 87495 1 1 1 1 1 1 1 1 1 1 C34 H43 N11 1 13486 54301 78627 680858 1 274535 148900 1 15749 1 1 1 1 191994 1 81395 237163 1 1 8453 1 97100 21323 241920 221115 303871 1 39952 1 1 9789 1 1 13560 1 1 C12 H34 Cl N8 O2 1 4024 13073 8418 1 4947 1 1 5198 1 2733 9973 13396 1 13324 5662 1 1 5975 7246 5974 12147 1 28127 1 9709 16080 1 17875 1 1 1 5481 1 1 1 10282 Corey PG-Lactone Diol 42791 1 24398 11247 14057 1 25670 15445 1 1 1 19283 40980 1 17385 1 1 1 1 1 13585 40376 1 26597 5819 18151 13643 1 22425 1 1 12905 12626 18417 1 1 14129 753.4422@6.5427628 1 1 13948 1 45413 1 54705 20602 1 1 1 1 8412 8535 1 15670 8035 47788 1 1 1 21119 1 1 1 1 1 1 1 19988 1 1 1 9641 2294 41344 39857 C14 H12 N2 O3 377017 9960 14858 271602 541780 19189 614812 386451 7918 7678 253097 12135 132292 90174 525283 234839 135008 372413 408695 85576 2368 228071 84238 17980 682612 1010460 1096666 17870 39871 26056 9171 1 6780 11347 8136 101380 143295 C22 H45 N S2 14091 1 13577 1 17743 1 11855 7025 8485 3327 1 33710 35118 1 23349 1 1 1 1 4282 28887 21279 2793 26939 1 14510 15220 2258 27260 1 1 9866 8885 13479 3255 6137 16034 C35 H43 N8 O 1 1 4315 1 84047 1 53106 51775 1 1 1 1 1 1 43494 15420 9499 31814 33713 1 1 15828 1 1 30460 63600 30264 1 1 1 1 1 1 1 1 25630 1 672.5208@6.550808 1 1 10394 1 36720 1 1 8369 1 1 1 1 8232 1 8445 1 1 7093 6098 1 1 1 7018 1 1 1 1 1 1 1 1 4790 1 4601 1 13665 10153 767.4581@6.5532007 26922 1 19873 17881 31895 1 166417 128279 1 1 22665 1 16833 21435 41272 38176 1 93293 1 10627 1 24570 22626 1 37185 23893 34670 1 8802 32881 5760 1 1 15052 9506 92770 60162 2S-amino-tridecanoic acid + 6.56059 10976 16262 17234 6028 14904 5966 17394 14506 10657 12657 20543 9200 9690 1 17787 1 13122 11689 7405 19854 12984 13286 6791 7081 14827 14253 11200 5926 4135 13373 6444 7602 14124 8728 5074 10817 12712 C32 H51 O9 1220329 154540 555714 1204734 7235586 278386 3327880 2069959 177223 159015 1168783 290620 796802 815251 4154979 1584602 1052713 3543486 1472955 415316 102347 1341169 1447447 181338 4283413 2929995 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41196 42279 35875 38813 40630 38966 C43 H74 N O6 139942 438935 564279 252810 1639812 554018 860289 390503 617750 316969 531098 697524 684761 444175 498531 561576 432815 731663 330230 342653 377310 375649 494280 251491 367274 286935 409053 342895 243168 135425 407261 368565 445564 470480 367837 651340 462142 130.1103@6.589767 1 1 22406 1 1 1 1 1 1 14389 24260 1 25560 1 1 1 1 1 1 33901 23375 21988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C18 H N2 O8 S5 19749 28246 19361 30859 1 18609 26705 17802 24165 18386 19777 19235 19210 18160 17470 17915 1 16500 17136 17537 17408 21714 21253 16552 20832 19323 19080 19664 17957 1 22701 16196 17400 16792 17174 17446 1 551.3944@6.5830207 35113 105458 137411 18959 1 66288 115137 45678 1 1 1 76078 80710 46131 51512 51939 43096 4254 1 39393 1 4292 35974 1 38656 50302 2245 59585 50690 1 49631 1 38712 1 36922 58924 39289 C35 H57 O10 1108921 19347 80452 241023 862937 30028 580721 694222 20110 20737 1 28309 99037 68236 670861 194030 105758 417171 448214 61800 15932 175477 124373 18524 739966 665182 674802 12866 62338 217622 28046 1 13447 49698 47768 327496 200010 C35 H49 N2 O6 S2 1 17799 15498 1 1 13676 1 1 29942 7701 1 16490 14990 5618 1 4545 1 1 1 6964 13508 4557 6938 11289 1 1 1 14687 7334 1 13314 16394 17826 9659 7859 1 1 231.0095@6.603 1 1 3129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C25 H54 Cl N8 O S 41655 282295 218638 19473 212844 87990 148181 61226 140643 80784 89967 67853 75815 78874 48807 77960 49839 86566 54422 85533 48521 78584 38105 87866 37144 62425 79759 95129 61113 30289 70368 60067 48300 94532 46192 60595 47613 C28 H51 N6 S3 27822 8509137 4552706 147220 3805236 4775011 495438 1 8964603 2426495 1625073 3882332 3490980 1406813 87749 829826 804079 277190 272137 2223714 2432648 1358216 1344393 2409249 212650 1 302761 2851156 1371356 336442 2533209 3158288 3565155 1853766 1473185 494596 219319 689.239@6.658449 1 7008 3411 1 3463 3695 1 1 7334 1 1 4063 1 1 1 1 1 1 1 1 3434 1 1 1 1 1 1 3079 3061 1 2840 4206 4152 1 1 1 1 C26 H55 N O6 S4 1 106338 43489 1 39800 42682 1 1 80979 17745 17079 20228 1 1 1 1 1 1 1 20483 7385 1 3177 1 1 1 1 6479 1 1 6577 10424 16357 1 1 1 1 C28 H47 N15 S 1 117376 55858 1 1 48248 22050 1 139654 15913 18339 36099 1 1 1 6972 6395 1 1 20730 17022 1 1 12608 1 1 1 21481 1 1 15208 21317 31993 11564 7763 1 1 223.1065@6.6072083 1 1 9632 40848 1 1 1 1 1 13092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C37 H58 N6 O S4 1 81144 27574 1 12431 31164 1 1 28458 12609 12016 5175 3811 1 1 1 1 1 1 12673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C39 H65 O8 S2 11888 1 45648 21921 102219 1 152601 67340 1 7809 60781 17568 1 36453 53095 59105 35461 94780 32347 1 1 72630 46755 1 1 23719 1 1 11097 38458 15780 1 1 37521 12077 102694 96327 549.3196@6.60588 1 1 15110 1 1 1 1 1 13290 1 1 6011 4767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6851 1 1 1 1 1 381.2525@6.6175404 1 1 3541 1 1 1 1 1 1 1 1 4173 3403 1 1 1 1 1 1 1 4812 1 1 3689 1 1 1 1 1 1 1 1 1 1936 1 1 1 731.437@6.643628 1 1 22052 1 88268 1 1 1 1 1 1 1 1 23741 1 45910 28845 1 1 1 1 40313 1 1 1 1 1 1 1 1 1 1 1 1 1 55718 54136 C35 H53 O4 S2 59752 19362 69019 19511 1 29818 559272 65840 18283 37317 1 29199 9851 1 1 1 1 1 38959 5433 5278 1 8773 20709 52323 1 1 28631 36342 18394 40252 19466 25076 10963 1 1 1 1132.6462@6.679582 1 85147 13974 1 1 17713 1 1 87964 62853 1 6332 5680 1 1 1 1 1 1 47125 117134 1 22435 91416 1 1 1 1 120780 1 114582 230004 1 48505 86433 1 1 C9 H7 O S 15485 13287 33123 52050 25322 52185 31703 30695 33327 71842 96744 31472 30610 40427 22580 26959 31807 21145 12303 1 1 39844 13776 21658 15302 24188 13680 14866 3456 1 11637 9492 13315 1 1 14418 1 304.0617@6.6423573 1 8902 4834 1 1 7177 1 1 3801 1 25805 3309 1 1 1 1 3613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0477@6.64677 1 43100 23809 19996 1 1 25861 1 1 1 1 1 1 31351 1 1 1 1 1 107346 1 44393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 L-Threonine 100192 281420 141749 135201 221795 237467 155527 100724 210722 301967 446740 201068 211040 199868 102933 142520 146293 166934 75039 745883 92020 293323 82403 173933 101764 166798 111073 152041 34643 69662 105044 94195 105033 104608 156573 106587 97532 LysoPE(0:0/22:0) 22308 106220 219271 11963 370997 65580 104598 31753 79659 40673 98598 64740 62543 41430 37371 48933 47789 71937 54079 64009 24025 83781 22458 45342 26120 41298 52261 38245 41488 7018 48485 65345 31141 37029 25602 30445 25816 C41 H80 Cl2 O5 56505 80980 85248 30333 366735 90401 182894 112135 91802 44125 88691 87482 104831 57170 30350 1 49137 76075 1 53039 31956 52314 23810 29704 37496 1 56137 32853 1 5172 43676 31003 41609 38642 30792 64488 1 645.3952@6.63152 1 1 12288 10616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18225 1 706.3543@6.665628 1 124612 32665 1 19927 65700 1 1 93245 60214 64940 26743 34469 16330 1 5160 2921 1 1 126327 2454 5157 1 15190 1 2820 1 8267 2635 1 4867 1 6907 4704 15396 1 1 C29 H55 N5 S5 1 25749 12778 7753 5668 13042 1 1 28118 7142 7275 12702 12334 6842 1 4167 8147 1 1 8100 16936 1 6594 13779 1 1 1 13978 10509 5001 15320 12191 18467 8337 14932 1 1 781.5591@6.644777 1 1 27935 14629 1 1 1 1 1 1 31153 1 1 1 1 1 1 1 1 1 1 20774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8706 747.3969@6.627762 1 1 22024 1 1 1 48367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 650.2908@6.6315656 1 10013 2876 1 1 7565 1 1 11195 1 1 1 1 2823 1 1 1 1 1 6271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3183 1 1 1108.6462@6.6316924 1 1 13543 1 14959 24776 1 1 1 8892 8376 12298 18032 1 1 1 1 1 1 1 7011 1 1 1 1 1 1 1 1 1 1 1 8683 1 1 1 1 C42 H76 N O S2 11887 35964 39032 16975 1 1 172330 59680 49224 18926 49503 36014 1 9675 35582 36780 1 31821 1 41692 26212 26890 29968 23824 18835 11271 35795 30667 22353 1 34933 1 23868 12653 61990 80910 1 C31 H61 N4 O S3 1 281703 65265 1 1 98740 1 1 224174 48376 1 79410 93847 34642 1 1 1 1 1 74683 47830 131658 1 51385 1 1 1 60982 1 1 35955 1 55940 30794 36378 1 1 C20 H45 N12 O3 S2 86028 1 827361 50109 1 1 308788 73394 1 1 1 1 1 446600 128765 241290 199926 129513 115316 1 1 322503 1 1 68731 76614 112762 1 1 23238 1 1 1 1 366488 173660 47978 1112.6746@6.635087 1 28717 8472 1 13070 1 1 1 1 1 1 4224 4409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C35 H40 Cl N5 O 2800 170947 66696 1 49718 86948 18435 1 111657 70977 71830 54020 55237 32156 1 9537 14641 6281 5670 75019 32333 31529 8856 44729 1 2436 5670 30794 13138 1 25200 22997 34252 15519 20291 10382 2521 1111.6644@6.6977015 1 1 4305 1 1 10813 1 1 42075 1 1 1 1 1 1 12853 1 1 19780 1 1 1 1 57634 1 1 1 1 46369 1 1 66114 51965 1 1 9513 1 757.4516@6.590354 1 1 44048 8336 1 1 1 17797 1 1 16198 1 1 1 29605 1 18517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5042 1 1 1 C30 H45 N7 O2 8108 24260 23747 1 38687 18034 17662 4685 24679 10085 15639 13319 13550 12518 6435 1 7144 17213 12118 17108 9828 16247 1 17000 1 11766 15038 12097 9958 1 12033 11161 9042 8442 1 12451 5891 C8 H15 N3 O3 1 149783 199770 1 1 107768 48074 1 132141 75916 139874 109673 128413 93586 1 1 62856 1 1 181275 49065 140092 41286 85139 1 20324 1 74681 41956 1 80510 94328 1 1 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20208 28325 1 598.382@6.662 1 1 8539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 657.3636@6.660173 40188 1 30652 13913 1 1 105303 1 1 1 1 1 1 23713 68106 54819 1 1 1 1 1 1 1 1 1 39625 60229 1 1 9837 1 1 1 13319 1 71058 1 894.6133@6.662 1 1 7680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cys His Ser 1 1 11428 22156 45352 1 7565 1 1 1 42529 1 31825 11985 1 10822 18404 1 1 1 11561 39562 14800 5672 6164 1 1 1 16875 4354 1 12251 6849 4786 1 6911 1 C20 H41 N S2 19341 6508 20593 11426 12928 4862 12041 9552 6959 4593 5963 43412 55229 1 14405 4772 1 1 1 6461 33229 36247 1 32162 5449 17336 17588 1 31931 1 4652 13652 16133 18554 1 1 15501 577.41@6.656556 56946 75272 438600 71558 1136433 90763 305703 113187 397277 170611 276048 46451 80768 26831 229324 226381 214483 448363 81527 304599 147948 336020 137472 8470 216985 280312 291197 216413 195945 1 227645 170100 175221 160347 97512 272282 215650 650.3263@6.6655273 1 3671 3946 1 1 3060 1 1 4079 1 1 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1 1 607.3828@6.6744514 1 1 20399 1 1 1 1 1 40052 31864 1 1 1 161508 1 280068 219361 76760 84273 140353 1 75141 1 1 88351 72467 80909 1 1 1 46077 1 1 1 11904 48888 1 C23 H55 N6 O2 S4 51506 29622 84875 1 143596 47450 1 1 1 15578 1 1 116578 83961 1 63629 25967 136812 48467 56929 1 59559 33558 1 30971 42819 34779 1 1 20056 1 1 1 26017 1 1 28907 C25 H55 Cl2 N8 O5 1 26809 41767 19435 1 1 92958 39560 1 1 35428 12638 31918 27613 57916 45023 36064 1 28104 1 1 52406 28510 1 1 58279 1 1 13094 1 1 1 1 23020 8799 64303 69452 Diethanolamine + 6.678039 61796 51091 52078 91336 50351 1 71509 79256 66669 53322 1 1 57034 50324 60801 74482 69748 58351 46755 58690 50012 108893 73273 53756 53366 67640 53676 57142 1 70596 57413 58373 55977 56758 1 59885 57709 C37 H65 Cl2 N2 39198 130157 166085 51760 1 108491 136030 19073 165962 66836 134817 147269 142842 1 74312 117570 114561 1 48509 115838 65159 86543 1 61688 1 86947 105242 88163 79664 14204 83241 75092 56191 84718 1 78333 72265 C43 H76 N O6 126450 406841 1475484 201975 2423759 1021086 1491898 1 1098099 304774 615709 1214430 1039568 655150 797615 834419 1 1063398 246706 707078 676245 199302 803571 1 1 1 667227 1 517180 93888 749939 654813 732814 535335 616726 848576 1 LysoPE(0:0/20:0) 90909 237473 336732 48555 592846 225270 313257 125527 186048 133556 216809 235055 162014 140142 150993 139861 132431 201197 168533 167925 118418 325082 83025 160760 82176 124862 275479 146284 152223 28713 152079 225936 120590 144735 136089 187364 83474 C39 H54 O13 1 6384 7743 1 1 10791 1 1 8569 21557 15929 20560 14744 9143 1 4870 11161 1 1 43056 16919 22859 9491 28699 1 1 1 24238 5558 3094 19547 24922 22892 16839 23528 1 1 C42 H36 N5 O 7058 1 2288 1 1 1 4733 4455 1 7950 8239 3857 2946 6157 1 5535 6305 6542 5779 7948 1 1 4873 1 3192 4406 4023 4151 5051 2549 5537 1 5086 4550 3988 5568 4537 PS(20:0/0:0) 14062 31933 34084 53430 1 28848 1 19225 25745 1 1 1 1 1 32706 1 1 1 1 31882 24803 1 1 1 24002 29732 22096 34957 1 53924 32356 28765 13749 1 27554 1 1 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1140.705@6.726694 1 23234 33350 3629 1 1 1 1 1 1 1 1 17009 1 1 1 1 6409 1 1 1 1 1 1 5852 7930 11919 1 1 1 14066 1 14307 8717 1 1 1 893.0994@6.7026844 1 1 3091 1 1 1 1 1 1 2212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1860 1 1 1 C30 H59 N O10 S 1 263698 319128 1 247291 259275 1 1 191235 158373 108521 269983 177145 1 1 1 1 1 1 120791 210880 138526 140540 225622 1 1 1 221550 217213 1 236164 354922 283731 181115 153341 1 1 917.1009@6.701 1 1 4882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 565.4096@6.6920786 9073 1 43797 1 144994 1 1 1 1 1 47262 1 38079 1 1 1 1 1 1 34520 1 42180 12473 1 9297 1 1 1 1 1 1 1 1 1 1 1 1 557.8466@6.702 1 1 2508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1243.8802@6.7027717 1 6184 4739 1 9163 7930 1 1 11811 5777 7707 1 7672 1 1 5225 1 6960 1 1 1 1 1 3614 1 1 1 1 1 1 6002 1 1 1 1 1 1 C13 H25 N O4 322092 70987 209332 162615 95803 69295 179067 106883 69980 48313 60290 288872 650818 53518 313980 64344 60933 42953 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.3492@6.723 1 1 17800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 631.3134@6.7891026 1 1 74798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16961 1 1 1 1 1 1 1 1 895.4986@6.7065053 1 1 10480 1 1 2752 1 1 1 1 1 1 5977 1 1 1 1 1 1 21240 1 1 1 1 1 1 1 3202 1 1 7848 5759 1 2113 6826 1 1 744.3314@6.723 1 1 13229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C32 H43 N3 S2 55420 26065 31941 42830 29842 35605 41587 35338 22198 53135 64313 45190 34330 1 65320 1 1 50341 1 42689 38202 56173 42343 1 40638 56822 46089 32983 15170 18583 29728 34177 1 40335 1 34560 58202 1187.158@6.724 1 1 14979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 LysoPE(0:0/22:0) + 6.722954 468333 1419755 2179785 352475 3406573 1196103 1572310 621618 1207900 796812 1612606 1122249 1154224 880373 883348 1242535 1233130 1166535 1156813 1385022 478935 1651637 576857 1019736 717689 827987 1180451 937341 936709 274227 946439 1128935 683119 817980 503094 646993 606069 1189.6509@6.724 1 1 20036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1153.1493@6.724 1 1 27381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.1991@6.724 1 1 34536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 801.4827@6.7187943 9421 92107 117628 18998 34915 63380 18619 7950 171616 58753 64425 84248 56037 61007 28876 30286 30434 31935 22032 93727 37657 43136 24244 48956 26107 22092 48434 37913 33824 1 40926 51228 37363 36108 32512 26963 1 941.0073@6.725 1 1 13746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 701.2891@6.6340356 1 1 12053 1 1 1 1 1 6400 1 1 3359 3644 1 1 1 1 1 1 1 5169 1 1 1 1 1 1 1 4678 1 3045 1 4521 1 4845 1 1 676.3436@6.7267213 1 1 24043 1 1 1 1 1 1 12969 1 1 1 1 1 3060 1 1 1 10478 6662 1 1 7484 1 1 1 1 1 1 1 1 1 1 1 1 1 894.9928@6.725 1 1 17420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1095.148@6.7403483 1 7922 56675 1 1 1 1 1 4905 1 1 1 4352 1 1 8691 1 7277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.3056@6.7991104 1 1 39292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1356.8273@6.7293777 1 14506 18319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6236 1 1 1 1 11583 1 1 1 1 1 1 1 1 1180.6661@6.726 1 1 24007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1039.1656@6.7213483 1 1 36108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60057 1 30355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.3313@6.726 1 1 5595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C28 H59 N6 O3 S3 441350 8125 45744 192338 486334 17243 502816 391558 11750 12425 45869 20852 75932 177107 541438 250581 261180 415561 335477 24845 1 154829 134039 10033 534704 535697 594456 15624 1 1 1 1 9646 54692 28392 283077 313281 830.0165@6.7268186 1 1 17705 1 1 7754 1 1 7105 6185 10981 1 1 1 1 1 1 1 1 1 1 7164 1 1 1 1 4514 1 1 1 6384 1 1 1 3701 1 1 861.4953@6.6541076 1 8206 41264 1 1 1 1 1 7602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1036.6469@6.742055 49108 740935 526003 17054 808794 1 187804 1 2065969 1 2254714 1820432 504487 1698019 1 209524 216666 1560090 184661 1 457288 395709 181388 369275 36738 70037 215320 1912046 298963 569779 1 379260 525992 1 259310 241742 1 1056.7094@6.7286563 1 23561 15666 1 59693 17997 1 1 29115 1 1 1 1 1 6335 1 1 21350 1 26790 1 1 1 6383 1 1 1 1 1 1 1 1 1 1 1 1 1 896.5225@6.6986985 1 1 16978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3506 1 1 1 14214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1128.168@6.7263756 1 1 14032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4988 1 1 1 1 1 1 1 1 1 1 1 1 1 940.5112@6.727 1 1 10881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 860.9945@6.684272 1 11374 51880 1 1 1 1 1 11650 1 1 1 1 1 1 1 7318 1 1 1 11062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1112.6766@6.7417307 12457 140877 181916 10241 104489 121775 23124 23078 104689 75899 66100 122047 86711 39750 51794 37188 36809 29749 1 75333 80401 11043 47235 100934 40918 54812 21816 110007 92356 2773 1 140401 115257 75485 80322 25773 13413 1026.665@6.730253 2307 1 45822 1 40552 1 26552 1 1 24139 1 8196 1 32798 7130 20370 6551 1 1 1 1 10332 1 1 1 6991 10295 43840 1 1 25643 33801 1 23992 28005 1 1 1032.7107@6.7273417 1 8368 9161 1 46423 1 109873 1 1 1 11498 8661 1 1 1 1 5817 8361 6620 1 1 13820 1 1 1 4999 1 1 3652 1 1 8638 1 4385 1 1 1 C28 H47 O7 8170136 1.71E+07 1.87E+07 5979192 2.52E+07 1.43E+07 1.48E+07 9824551 1.37E+07 1.06E+07 1.57E+07 1.82E+07 1.64E+07 1.27E+07 1.24E+07 1.24E+07 1.23E+07 1.52E+07 1.22E+07 1.19E+07 1.04E+07 1.71E+07 1.13E+07 1.08E+07 9053224 1.29E+07 1.65E+07 1.15E+07 1.07E+07 2951300 1.31E+07 1.46E+07 1.20E+07 1.23E+07 8444000 1.18E+07 1.09E+07 D-Alanine + 6.7376966 159585 199463 133331 203593 168488 226170 122415 1 249339 388246 426597 135348 123341 160103 96130 159524 202541 147492 105550 940484 105029 285137 99576 169531 102433 117295 80448 149450 53090 91106 103850 92681 110724 106891 114212 81559 100064 1145.6696@6.7330256 1 1 31092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4564 1 C28 H45 O6 12990 29804 29649 10406 45063 23164 24231 15601 22510 15399 26164 29723 28097 22126 20498 19581 18004 23197 18953 20123 17902 30509 21331 18453 15190 19489 29644 17782 17561 1 20538 26877 19550 19686 12723 18091 19154 852.4935@6.76875 1 1 20034 1 1 1 1 1 1 1 1 1 1 1 7260 1 1 1 1 1 1 1 1 1 7509 7187 1 1 1 1 1 1 1 1 1 1 1 916.5116@6.729 1 1 8246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 884.9982@6.729 1 1 24698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.4318@6.693839 1 10407 31584 1 20745 1 1 1 1 1 12816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2404 1 1 1 1 1 1 1 1 1 C27 H44 Cl N8 O 43979 32152 121060 1 78043 17883 1 1 1 33778 1 1 12043 1 37726 266689 56827 27380 20366 53444 1 1 354104 1 28147 1 1 1 1 11927 21659 82510 87036 1 74841 1 39629 1074.7529@6.734126 1 16658 30590 1 1 10473 1 1 1 1 1 1 1 1 1 7465 5324 1 1 1 1 12022 1 1 1 1 1 8245 1 1 5160 8310 1 1 1 1 4418 1150.6895@6.758904 1 1 9991 1 1 1 1 1 1 1 1 1 1 1 6316 1 1 1 1 1 1 1 1 1 1 12171 1 1 1 1 1 1 1 1 1 1 1 644.3385@6.8315 13976 1 3987 11108 1 1 1 1 1 13239 11352 1 1 9805 1 8320 1 7332 1 44279 9717 14067 8682 17021 6575 7702 1 9358 1 45138 7878 7555 11367 1 1 1 8849 646.4316@6.73 1 1 19018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 814.9966@6.76363 1 8115 72114 1 1 8094 1 1 1 1 1 1 1 1 1 1 4497 1 1 1 14417 1 1 1 1 1 1 1 11001 1 10975 12158 1 6951 1 1 1 C34 H44 Cl N O5 21604 55397 28197 31715 15255 63652 16301 1 41895 84234 38251 29060 29070 29205 5208 30409 32343 1 20975 88574 98745 33035 38803 101461 12549 17111 16234 60051 62010 19356 62865 56726 68659 48302 84350 20422 1 C30 H59 N5 O S3 67281 269976 141989 82334 123442 278473 85102 21421 217961 278579 194337 173056 167919 149337 31708 133131 141253 53002 98003 247786 379783 119529 166564 322751 49867 82227 82179 197863 343615 58176 205787 254935 286834 217534 314019 115309 72692 778.996@6.729058 15383 13650 30355 11142 1 1 1 1 1 19982 1 24070 20150 1 47255 26190 1 1 27812 18051 9567 33681 22820 11073 22476 1 30219 16020 8553 1 18351 1 12045 18723 7075 1 26272 828.5058@6.807597 1 1 39283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13462 1 1 1 1 6403 1 1 1 1 9380 1 1 1 1 1 1 1 802.9964@6.72857 23113 77408 88754 10923 44669 76760 51571 4045 1 66926 97374 70016 69726 79904 1 55300 61678 37799 31215 84896 47797 73877 37382 56293 12808 28217 39901 47727 40821 1 48899 1 45317 48983 31600 49773 18315 C31 H64 N2 O4 S4 25091 4004 57619 43183 1 12807 6908 17865 14346 39223 17128 1 1 24239 15505 17430 22007 13335 22841 27281 17567 13910 18362 17622 31667 1 7782 17633 1 33963 17224 8334 14722 19981 16137 9860 18440 1051.1628@6.7305937 1 27623 19040 1 1 30413 1 1 30945 21590 28798 25340 25797 25334 1 1 1 21788 18148 80804 11419 16521 15138 10515 1 1 14499 23309 1 1 24631 15986 1 12284 1 1 4423 930.5291@6.7198124 1 1 10809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1170.703@6.8274302 5891 1 11899 6899 23659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11676 1 9228 1 1 1 1 1 1 1 1 1 1 724.3626@6.736779 1 1 20902 3150 1 1 1 1 1 1 1 1 1 1 1 1 4471 1 1 1 1 1 4339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.8322@6.729526 15243 1 23117 14127 1 6965 1 20435 1 119300 1 1 1 1 15195 70614 70727 10961 52749 17073 5406 13156 67623 5357 13551 39768 52413 7041 3855 5555 6307 1 4392 9449 1 8439 12824 852.0101@6.732 1 1 32071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.0036@6.7323446 6884 1 113577 8405 1 61663 17155 7422 61126 58309 44134 1 40231 32090 9509 25733 30150 12870 15674 32191 79832 38527 27506 87476 13011 16214 16069 62940 59656 6157 59406 1 68415 40022 60851 17221 10734 1041.6815@6.759513 1 1 185912 1 109068 1 1 1 1 1 1 1 1 94000 55112 1 1 1 1 1 100755 296719 69851 1 1 1 1 1 1 38119 1 1 167224 1 1 111773 1 C23 H49 N8 O9 S 66255 26399 239606 61047 1 35147 18329 1 34411 58734 37651 1 14872 49985 63595 50907 58506 44936 50208 34882 39234 31679 59499 37063 82555 44877 37509 40167 39846 42991 39637 32478 1 43440 39264 44541 1 1123.1776@6.7328677 1 1 34933 1 1 1 1 1 1 1 1 6468 1 1 1 2394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1204.6812@6.734 1 1 14976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 681.3237@6.7346516 6007 1 26797 5884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4379 1 1 1 1 1 1 8708 1 1 3823 1 1 1 1 1082.7208@6.737261 6874 19246 29741 1 1 22445 1 81448 1 17930 1 1 1 1 1 1 1 28504 19830 27666 1 36641 1 15061 1 1 1 1 1 1 1 1 1 1 1 1 1 C31 H41 N7 O2 + 6.739948 3049072 1.99E+07 1.70E+07 1 2.15E+07 2.17E+07 1.01E+07 1 1.93E+07 1.85E+07 1.65E+07 1.20E+07 1.66E+07 1.26E+07 1 1.15E+07 6654677 2561113 9387439 2.39E+07 1.99E+07 1.42E+07 7949846 2.86E+07 1809141 8426011 3845611 1.90E+07 1.79E+07 2311604 2.08E+07 1.63E+07 1.65E+07 1.65E+07 1.75E+07 1.06E+07 16725 1146.6792@6.7254405 1 1 30858 1 10736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14766 1 1 1 1 1 1 1 1 1 1 1 1 1 1122.6833@6.7380176 1 1 59609 1 17458 1 1 1 1 39124 27045 1 30116 22260 1 1 1 1 1 1 41636 1 1 1 1 1 1 1 1 1 1 1 1 33181 1 1 19784 LysoPE(0:0/22:1(13Z)) 46884 125284 152923 74442 227055 127191 98469 133067 121994 193317 128285 102431 93135 86128 70461 80723 187789 94231 205873 349012 91545 163794 61564 143192 87504 95443 122491 274522 263868 29319 275868 285605 77965 190319 192053 224066 105861 793.0118@6.7376933 51719 42872 86130 35656 40234 57060 72859 86516 68484 72661 1 63857 61865 77632 83752 81786 85923 82645 1 70553 35387 85494 73379 32379 70455 78512 71141 51603 28091 16494 51247 42684 40763 50775 33467 57563 72495 1147.1825@6.738 1 1 14904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 793.5134@6.7371907 36979 29302 56958 24683 26535 34069 51596 59202 37985 44198 1 47401 41715 47585 61720 52618 60206 58147 46078 43435 22215 61131 47749 19188 50293 54537 49798 33776 18150 12316 33065 29221 29810 35860 22431 42709 50697 1136.6937@6.7200484 9109 7132 122143 4815 1 1 1 26528 8629 1 24605 1 1 26184 1 1 27569 1 1 1 32745 1 1 1 1 1 1 46653 1 1 1 1 1 1 1 1 1 1098.6692@6.7408805 1 3746 70802 1 31721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50195 13704 1 1 50280 8367 1 1 1 1 1 1 1 1 1 1 1 1 792.0027@6.752398 18640 1 30896 10653 1 1 12846 14040 1 1 1 1 1 1 19656 1 27977 5698 1 29386 1 1 1 22080 1 1 1 1 1 4150 22672 1 1 35037 1 15984 1 1074.6633@6.739281 1 1 56538 1 1 64421 1 1 1 1 1 1 44246 1 1 1 5220 1 1 60261 59537 1 1 32349 9039 1 1 47972 52748 1 49750 1 1 39311 1 1 1 626.463@6.7095947 1 1 57112 1 8519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 603.3987@6.737478 1 1 35438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64943 1 32074 1 75638 1 1 1 58915 1 1 55807 1 1 1 1 1 1 alpha-D-galactosyl undecaprenyl diphosphate 108021 695995 568996 100441 519081 640581 198500 51973 624990 537326 392608 490582 452712 322537 62082 280211 279551 133338 1 672676 311391 364268 311352 1 88361 131923 179876 1 1 57506 1 659022 648802 453659 1 249222 125280 1075.1666@6.734685 1 1 49140 1 1 50071 1 1 49583 36855 1 1 44226 28316 1 1 1 1 1 5422 78423 1 11636 65815 1 1 1 25480 48317 1 20217 21634 1 15645 40833 1 1 1089.1797@6.738956 1 1 55531 1 1 1 1 1 1 1 1 1 1 1 1 15850 14016 5120 8758 1 39369 21306 13995 48254 1 10662 1 36715 44173 1 37623 1 43373 22690 44971 11526 1 840.0126@6.7495103 17809 5020 37014 1 1 1 1 1 1 1 1 1 1 11608 13483 11343 1 1 11678 12067 1 8852 12350 1 1 1 30580 1 1 2188 8990 7591 1 1 1 9628 11260 1088.1742@6.748498 1 1 17117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7342 15100 6852 1 16569 1 1 1 10549 13109 1 11575 1 1 8628 8778 1 1 817.5137@6.7405787 17994 83439 103117 19013 1 69485 1 12634 82464 81970 1 50785 54426 1 18745 44396 45268 1 31362 103530 62462 52671 45638 70898 20478 32873 1 75912 65440 11524 62152 1 68570 61073 76606 35996 23059 1018.6954@6.735626 325773 1022978 344728 189185 869340 727197 499490 548476 909191 486784 918325 1042277 914117 680938 599719 666166 606195 800071 541923 557823 129087 555045 530624 348937 396731 540925 807733 486051 378430 44199 595111 640517 226341 1 366160 624412 168033 841.0198@6.7438426 8648 21876 83821 9431 22615 24069 1 31604 1 1 1 9800 1 22064 1 25044 23307 24348 19974 1 1 15689 20731 1 1 23724 1 23534 1 5409 23147 10988 1 1 1 19633 21258 818.0169@6.738546 1 1 67222 1 1 1 1 1 1 1 1 1 1 1 9890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1113.1857@6.737803 1 1 33838 1 8650 1 1 1 7272 5483 1 1 1 1 1 1 2668 1 1 1 1 1 1 8291 1 1 1 1 1 1 12042 1 7604 1 7996 1 1 1058.7225@6.745097 1 36066 39733 1 1 25763 1 1 1 1 1 8133 1 1 1 4453 1 1 24562 1 1 1 1 5739 1 5218 5806 1 14905 1 1 8045 1 1 1 1 1 816.5055@6.7398295 6466 1 33364 5282 9511 24769 1 1 12535 27644 1 1 15188 1 1 1 15951 1 11774 1 29014 1 16350 35037 4563 1 1 25154 26452 1 23797 23219 24507 23032 22149 1 1 C37 H70 N O4 S2 1 7974 12663 7117 1 6725 11059 7584 11812 9931 1 7674 7046 9097 1 7960 6330 6687 5492 11323 1 8753 1 4431 6946 1 6571 4646 4982 3294 5550 6136 5100 1 1 1 1 1325.8492@6.7529597 1 1 3536 1 1 1 1 1 1 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17649 18926 27809 20890 23236 89378 27254 57012 1 40724 1 24189 30079 1 1 1 1 1 16293 19737 1 12434 15993 2S-amino-pentanoic acid + 6.959881 4.16E+07 4.48E+07 3.66E+07 3.42E+07 5.25E+07 3.46E+07 4.85E+07 2.91E+07 4.04E+07 3.49E+07 4.61E+07 4.21E+07 3.48E+07 3.17E+07 2.88E+07 3.01E+07 3.87E+07 3.07E+07 3.49E+07 7.07E+07 3.89E+07 5.69E+07 2.15E+07 4.89E+07 2.13E+07 3.20E+07 3.65E+07 2.03E+07 3.08E+07 1.75E+07 2.33E+07 2.70E+07 2.71E+07 3.24E+07 2.17E+07 2.04E+07 2.45E+07 C7 H7 O4 85696 63902 80391 54928 110430 41572 101402 52086 50086 41294 90259 61689 54444 45190 54870 47458 60117 58035 56511 64402 46643 132014 26905 56918 40335 65351 76319 22758 36286 1 26447 27735 29011 42368 22446 38685 43623 Cyclopropylamine 29410 29256 23844 23968 32933 19850 29459 17615 26271 21024 27384 23854 21673 1 1 16434 21240 16934 18211 56108 22629 37675 1 29392 1 18396 1 1 1 1 1 1 1 20131 1 1 1 243.1471@6.9732127 1 15739 16817 14138 15830 16113 1 1 17840 13841 24654 12602 10161 8957 12970 8967 10426 1 9182 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68869 1 53256 87007 45736 18160 8600 46155 24750 10585 58740 48292 60862 11630 1 40498 15329 15378 11039 20712 12549 93299 75705 Butoctamide hydrogen succinate 9068 1 36208 1 7463 1 1 1 12157 1 7125 16954 9264 10467 1 1 1 1 1 1 18424 9080 1 9183 1 8464 15034 1 6689 1 1 6850 1 1 1 1 1 C32 H65 N3 S5 52109 1 34665 60864 165068 11399 179009 136498 1 8924 53383 1 45754 55488 144971 87128 66450 136951 68258 19758 1 104644 54414 1 183628 111140 120614 5357 22711 63811 18432 1 1 35992 12986 129718 136467 C28 H47 O8 65333 136320 137788 57257 223395 108158 7374 63680 7347 72093 122014 11618 128131 90076 78085 89025 75335 125073 156256 110907 144923 5657 68055 166175 67386 12986 140751 89478 8086 29940 111859 74394 95008 83676 46800 64317 80991 575.3213@6.9962454 1 1 32962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11655 8101 1 6551 11204 1 1 1 5172 1 1 1 1 1 52475 1 1 1 C27 H41 N7 O + 6.987086 1 24923 30351 1 68545 22030 13592 1 1 12064 23687 17295 17995 16274 16438 12950 14754 20000 22112 12704 16616 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23758 32983 1 15249 1 80463 1 110989 41281 C14 H23 N8 23647 1 21618 14965 16944 1 17909 11077 1 1 1 28651 40060 1 16858 1 1 1 1 11938 17023 45579 1 24619 1 24034 18647 1 20150 1 1 1 11710 16105 1 1 15372 DL-2-amino-octanoic acid + 7.0471787 4918321 1.03E+07 1.59E+07 5300625 1.64E+07 6808443 1546099 415234 7570312 8166673 8859052 9865118 3981833 6472526 5976908 4122624 8282172 4790270 4105573 9764905 4075281 2.39E+07 4561031 8375748 3818513 5763499 1.13E+07 4167503 2110721 881773 5589888 1.03E+07 4031475 3612739 1621412 315400 4472292 C37 H63 N3 O6 S2 1 6878 23511 65304 261150 5822 104553 35278 1 5104 62945 1 57449 5292 159729 85946 68620 68102 36766 14724 5137 90664 64004 1 119414 130019 166783 5394 1 5217 14192 1 8090 34515 9573 49605 75753 237.1036@7.046772 1 1 6053 1 9527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3684 1 15637 1 2938 1 1 6728 1 1 1 1 1 1 1 1 1 1 59.0732@7.0499783 1 1 6320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2085 3024 1 1 1 1 1 195.1024@7.051669 1 39576 50166 1 53091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C27 H56 N8 O4 S2 25459 30884 27491 38717 29745 23848 28421 23890 28125 22096 24070 20843 21448 1 24482 25832 23165 24370 20920 20430 19765 27267 1 21503 26357 23865 24256 20962 22454 14477 21186 21372 18625 19804 20300 1 22511 p-Aminobenzoic acid 1 3439484 3186854 877118 3786519 1558651 1 1 1564676 2881857 3983434 855701 1132866 1486126 314450 961890 1872074 1814458 1113601 4329527 334780 2021850 783897 475118 566731 1405088 2508086 1144540 381781 510466 1109778 1317958 1003811 530584 1 1 296460 Heliamine 305309 1239244 872891 1042747 1 989721 1005401 974461 1010464 998539 955290 997422 963512 891458 911626 938736 917970 911702 860012 898499 904454 798197 983416 903653 898200 873406 902798 925939 908670 1 915748 891908 874013 903636 897633 945191 1 C25 H O18 S 12668 17134 12768 18258 12908 11216 13954 1 12266 9841 10685 10243 11150 1 10063 8590 8374 8438 8510 11397 1 11896 11505 10252 11825 10936 10797 9724 10654 9882 1 10208 10397 1 9886 10873 1 N(alpha)-t-Butoxycarbonyl-L-leucine + 7.0559106 828376 1516743 1551818 717646 1351845 1456930 723079 428351 1827903 1309022 1465883 1086951 1312083 547143 1112517 448842 637013 448172 383395 4989423 770212 1763173 291094 1599398 635549 1392684 1056602 614197 816451 210787 672121 877896 714152 912839 361903 329175 810888 C26 H45 O6 8177 31903 42542 8918 134770 28895 13370 8443 31580 17093 39726 24904 28611 20501 22329 18771 20912 23396 24187 20203 24691 33692 12835 25846 13419 17496 42190 31903 23881 1 30078 30725 20715 17060 1 9111 15643 259.1604@7.056808 1 1 14367 1 103129 1 1 1 1 1 1 1 1 19511 1 29619 1 30297 34897 1 1 1 1 1 27929 51200 64158 1 12266 1 1 1 1 1 1 20905 1 C25 H49 N3 O7 S 1064072 1 755503 653213 7121011 260583 1417036 610964 1 129963 1265167 141541 979925 774409 1157274 1433430 1324667 1223717 1308742 76303 82299 2074696 480050 137128 1077599 2008615 3113066 105180 451755 58172 280075 131693 106708 377486 1 912389 863595 651.3768@7.0585084 1 1 8635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3364 1 1 1 4725 1 1 1 C25 H47 N3 O8 S 142172 52341 275487 51956 64215 60292 30259 219176 18986 33487 78350 59495 65757 105174 87491 120883 268341 136065 61334 95997 15922 94991 28358 50487 229634 166106 305642 42161 25876 16732 91036 39282 20254 64243 63479 118167 44346 292.8785@7.071 1 1 1531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C28 H46 Cl N2 O4 17487 14248 26840 18730 48274 11142 32702 33312 11442 9312 35000 20865 30782 18441 31245 17748 27357 28526 37332 1 3663 46444 11286 1 57709 36273 50358 8586 15897 1 13172 1 1 18454 8949 22036 33746 C26 H51 N6 O S3 1 1 36200 1 476466 1 68781 1 1 1 130978 1 66035 87864 1 59332 52806 1 1 39377 1 114823 36811 1 40356 51278 71026 7875 56078 1 16727 1 8647 31006 42908 31245 23882 537.3405@7.040515 1 3530 85584 1 577621 1 1 146136 1 1 1 45416 1 1 129934 1 1 1 225159 1 1 260297 1 39459 212138 256214 1 1 1 9355 1 1 1 53359 41687 138137 131918 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1 1 1 1 1 1 C31 H50 Cl N2 O S2 87687 1866 20901 17953 39605 1 59232 151312 1 1 1 1 10836 1 1 1 1 1 87264 18310 1 31978 1 9159 1 57822 128272 1 12389 9452 1 1 1 1 1 1 1 1-Aminocyclohexanecarboxylic acid 1 2652914 2444683 733765 2254534 997085 1 1 1585117 1880964 3059578 748855 519622 434893 370051 290403 866936 457920 495043 5223423 992889 1073326 305833 1165927 236166 923693 1174903 1071683 633943 157542 1021057 565314 710747 655637 1 1 264604 247.994@7.1363106 8192 1 6841 1 1 1 1 1 1 1 1 2277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C9 H19 N3 O2 1 140912 135512 41419 125232 47729 1 1 84628 96778 164838 39877 28329 20596 17294 13203 43577 26615 26596 255305 45644 60585 12328 56420 12942 51860 63263 48683 31790 1 50320 26306 31485 30657 1 1 12444 289.1524@7.1266785 1 80667 17081 1 95646 1 1 1 1 25168 1 2039 7741 1 1 1 1 1 1 1 1 1 1 1 1 6186 1 1 1 1 1 14599 1 2553 1 1 1 559.3266@7.105367 1 1 47829 23274 1 1 1 27061 1 1 70429 1 1 37148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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42432 150196 46063 1 27482 138696 37434 13340 23866 184446 49643 64452 42371 60801 49079 63250 54139 39794 122723 3288 1 1 15073 37685 50848 40409 1 21728 6787 10548 11014 1 29427 18119 19043 22602 539.2624@7.139333 1 1 8545 1 7505 1 3239 1 1 1 15198 1 5304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 609.2786@7.1349373 12117 1 7369 1 30295 1 1 1 1 1 1 1 1 1 1 1 1 6753 1 5195 1 9334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.2915@7.1524053 1 1 22635 1 19815 1 59400 1 1 1 24808 1 1 1 1 6063 9743 9304 1 7243 1 56195 1 1 1 6422 1 1 1 1 1 1 1 1 1 1 4490 550.0468@7.132708 1 7434 2670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C31 H48 Cl N O10 128818 1 109472 20012 97320 1 106869 160713 1 1 63577 54425 54541 38697 52401 33936 42408 78213 35923 28958 1 1 1 1 12808 41002 1 1 5355 12013 42984 1 1 26355 26035 74680 46991 507.2959@7.1324625 7519 1 19701 5926 22607 1 13806 1 1 1 14294 1 1 1 5453 1 8782 1 10814 1 1 35531 1 1 15518 8865 6953 1 1 1 1 1 1 1 1 1 1 621.3027@7.150303 1 12427 80817 20769 1 1 1 1 1 1 91768 1 1 17723 1 13160 24053 1 1 1 1 143316 1 1 1 1 1 1 1 1 1 1 1 18984 1 17080 1 C29 H39 N7 O4 150967 1 147359 1 141918 20917 105947 157352 1 1 129381 1 159253 27143 49087 1 51473 67046 61028 1 1 225027 1 1 49305 74289 160676 1 93063 1 14557 1 1 1 10697 31971 140430 454.0656@7.141039 1 1 6510 1 1 1 1 1 1 1 1 1 2369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 701.2764@7.1573286 1 1 14309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 730.5977@7.133 1 1 6741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C27 H39 N13 8544 1 29850 1 101076 11696 19503 1 16246 9602 21361 12924 17404 1 1 1 5819 1 1 1 1 11771 1 7781 1 5713 1 1 1 1 1 10214 5869 1 4711 1 1 C8 H10 N S2 9113 7204 29254 1 21420 6639 1 1 18938 30276 56913 8486 25158 1 1 1 1 1 1 190006 7264 138021 1 21143 1 4592 1 1 1 10478 1 11915 1 14554 1 1 1 643.2748@7.1448765 25653 1 63560 1 26450 1 1 42715 1 1 24482 1 1 1 1 1 1 1 1 16186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C20 H34 Cl N3 O S5 1 11585 34454 1 25873 1 1 1 16059 21954 34823 1 23019 1 1 1 1 1 1 78155 1 75794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 611.2839@7.1403446 56493 10629 207518 20123 1 27336 1 53631 1 20922 1 1 1 1 1 1 97076 30143 1 30236 1 122196 1 1 1 29733 1 1 1 1 1 1 1 1 1 1 37660 724.546@7.138001 1 6046 7831 1 14550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.3119@7.1386695 1 45729 27633 1 56531 6734 1 1 10772 6210 1 1 8656 1 1 1 1 1 1 1 1 2904 1 5493 1 1 1 1 1 1 2339 1 1 1 1 1 1 C5 H6 N5 O2 251794 274406 580855 175441 512521 217143 272266 171821 508957 627738 1131507 298455 605709 171309 1 163599 253057 215946 146186 1 289534 2270665 80615 518877 139569 208134 93015 178878 114189 368632 199239 409529 253485 460367 1 138888 157247 C16 H18 N4 O S 5143 4457 33745 1 20938 3011 5389 1 22667 39826 97925 1 36478 1 1 1 3890 1 1 1 7292 268422 1 27223 1 1 1 1 1 13212 1 15903 1 19208 18225 1 1 809.5901@7.1536684 36836 41483 31460 14398 38099 23826 24181 18115 24569 16162 28149 24273 18242 11111 12909 12503 10822 20513 1 18901 11625 21090 1 21792 6950 14035 1 1 1 16135 1 14275 9744 1 13783 15346 7467 C32 H17 Cl N5 S 27884 36332 57443 16251 39296 21898 24224 9376 47578 26809 68033 29210 50292 13996 16640 13708 17154 18148 4557 110754 26115 52386 1 19968 4901 14805 1 15351 1 1 15404 36695 21929 35703 20147 10518 11084 555.2959@7.1404343 1 1 10011 1 40873 1 1 1 1 1 12316 1 8729 1 1 1 1 1 1 1 1 189688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 629.0915@7.145855 1 3415 7498 1 3327 1 1 1 1 1 3830 1 1 1 1 1 1 1 1 12323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 886.1474@7.1472406 1 6955 10493 1 4506 1 1 1 1 8139 13565 1 7951 1 1 1 1 1 1 1 1 5566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C32 H37 Cl N6 O S4 21471 25459 52992 10474 42363 1 18152 1 42158 47208 58813 25767 47963 9876 14672 11070 13059 13050 1 149373 19633 54777 1 37003 1 10350 1 9621 1 30532 14414 33687 19265 37058 16110 1 1 (R)-(+)-2-Pyrrolidone-5-carboxylic acid + 7.1568255 1412749 1503759 2085152 955521 1977341 989947 1279991 780601 1547441 1693070 2964525 1151576 1829144 793139 1012833 836935 918073 956443 616564 1.07E+07 993816 6866413 436257 1397463 608299 869766 431607 740834 393581 1135388 794367 1176323 883636 1287720 856305 660638 652702 826.5469@7.144751 1 1 8752 1 1 1 1 1 1 2923 22752 1 1 1 1 8680 1 1 1 1 1 14377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0401@7.154275 1 1 29165 1 1 1 1 1 19886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9384 1 1 1 1 1 1 1 1 9211 1 1 806.6268@7.1548924 8872 16919 23681 7666 5320 1 26476 1 35638 1 1 16439 1 14363 10337 12637 1 18060 1 13464 5315 8550 1 8312 6465 1 1 9577 1 11784 6741 13640 9121 16204 10577 7572 8668 C37 H16 Cl N8 O 1 2869 7604 1 1 1 1 1 6660 1 9211 1 7021 1 1 1 1 1 1 20075 1 1 1 4266 1 1 1 1 1 1 1 1 1 1 1 1 1 810.5933@7.1469507 1 1 22793 1 23964 1 15941 1 14156 9617 15163 1 10696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 685.2835@7.157126 22731 1 94616 1 65688 1 37059 24899 1 1 1 6627 25112 1 33084 8504 6225 38690 1 13904 1 30715 2022 1 1 19475 1 1 1 1 1 1 1 14488 5892 19629 19709 (+)-gamma-Hydroxy-L-homoarginine 11463 13380 19520 1 18366 1 9846 1 14257 18659 25598 1 15456 1 1 1 1 1 1 60634 1 45736 1 11137 1 1 1 1 1 1 1 1 1 11531 1 1 1 835.606@7.147991 1 1 15275 1 16380 6397 4823 1 1 1 11064 1 6555 1 1 1 1 1 1 1 1 1935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C21 H33 Cl N O4 S3 15607 12306 28698 4886 21596 1 1 1 21482 21828 32034 8678 22144 1 1 3592 7410 6528 1 76104 1 67663 1 16572 2180 1 1 3062 1 5554 1 10198 1 16103 4823 1 1 881.1695@7.1471276 1 1 2883 1 1 1 1 1 1 1 5356 1 1 1 1 1 1 1 1 1 1 9294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C10 H21 Cl N2 O5 S2 87389 143750 179619 63831 156244 87487 79600 45857 140340 149614 197152 91064 150736 12318 60753 14257 63166 55979 27333 306880 77738 257627 22994 86376 35431 51259 13201 48853 15586 53915 49388 98529 65448 100900 55063 30578 11617 C29 H55 N3 O S2 29525 41360 38320 8896 129382 22095 95649 40043 23547 15145 37286 23988 37794 10425 5686 28711 23836 42457 13140 15999 1 50262 8714 11092 6137 15480 12936 3569 4422 1 1 15944 10762 23477 5947 23158 1 358.0837@7.1584635 1 1 21451 1 17623 1 1 1 1 21133 1 16033 22290 1 1 12922 1 1 1 1 1 26179 1 1 9474 1 1 1 1 1 1 1 1 1 16757 1 1 538.5926@7.1526527 1 1 5683 1 1 1 1 1 3810 4772 1 1 1 1 1 1 1 1 1 13112 1 1 1 1 1 1 1 1 1 1 1 2960 1 1 1 1 1 627.2882@7.155508 1 1 37994 1 39799 1 17062 1 1 1 1 1 12572 1 13312 1 1 15208 59818 1 1 1 1 1 1 11484 1 1 1 1 1 1 1 1 1 1 1 C30 H44 Cl N5 O5 135161 1 144263 50688 1 1 289863 218679 6680 1 284473 30165 253544 70961 165718 53648 99731 15359 107843 48494 1 1 12728 13775 1 1 167622 1 15207 14900 20715 14680 1 43727 53735 1 56158 622.6164@7.1532307 1 1 1913 1 1 1 1 1 1 1 6310 1 1 1 1 1 1 1 1 1 1 6273 1 1 1 1 1 1 1 1 1 3099 1 1 1 1 1 526.1343@7.157906 1 5111 10207 1 1 5869 1 1 1 1 16511 8719 12390 1 5962 1 1 5951 1 1 1 1 1 12151 1 5592 1 6514 1 12197 7062 1 9166 1 1 5577 1 832.6427@7.1578937 1 29873 46464 1 94119 27375 19996 1 52498 27814 1 23840 34942 13827 13659 16773 14915 21874 10555 23868 20858 11965 4346 24857 7845 9195 1 12752 1 18100 13304 17086 15378 23760 6454 4711 7060 624.3108@7.156334 1 1 9670 1 1 1 1 1 1 1 1 1 1 1 1 1 5505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C15 H27 N O6 94876 35735 65722 45383 43956 47418 69011 43672 49048 34372 52833 62641 107139 19496 66424 19222 22153 17286 13419 65772 38333 119107 14519 91386 20270 42540 29480 38405 41357 11541 23638 46591 26582 46221 36379 31494 37393 509.3471@7.141533 1 11727 25665 1 40476 1 1 1 13595 1 17558 1 1 1 1 1 1 1 1 1 1 19227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 783.5751@7.1442885 1 1 9985 1 1 1 1 1 1 1 13516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C4 H6 N4 O5 13174 1 57404 1 56975 41373 44905 1 1 47948 68599 1 66858 47671 44806 49280 1 44909 1 90841 56911 1 36507 61575 1 47861 1 49457 1 15281 56578 67455 1 63996 56116 44258 46158 Cucurbitine 265268 330491 276510 258468 275967 250754 280307 241382 264055 265438 277509 241273 256784 243395 241491 241807 244613 248998 243306 268991 245518 285460 245268 263465 231730 245273 245155 234927 246686 139326 247490 265687 272099 259962 255522 247026 239865 83.0371@7.149738 1 1 38647 1 37363 1 1 1 25686 28886 47941 1 29117 3595 1 13816 1 1 1 162120 1 106383 1 1 1 1 1 1 1 5779 1 1 1 1 1 1 1 C28 H55 N5 O2 S5 1 1 178022 1 100974 1 57870 32853 1 4562 1 14872 9382 18434 29494 22220 18744 59694 6116 30857 1 104359 7552 1 1 1 8048 1 1 1 1 1 1 29740 15305 27492 62371 243.0154@7.159626 1 1 15049 1 11034 1 1 9598 1 4808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7328 1 1 1 1912 1 1 1 1 1 1 1 579.2584@7.147218 1 1 12638 1 1 1 1 1 1 1 11713 1 10233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 695.2912@7.160348 1 1 78662 1 30443 1 1 1 1 1 1 1 22762 1 1 1 1 1 1 8958 1 1 1 1 1 1 1 1 1 1 1 1 1 12577 1 1 1 677.2784@7.1513696 8730 1 44900 1 1 1 18445 11314 1 1 1 1 1 1 1 1 1 123108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C26 H49 N2 O4 S2 1 44545 71687 1 146739 25581 114365 76517 37812 25932 72033 30221 1 12164 1 1 125801 1 143484 18800 16204 179375 39917 24610 116635 1 1 13207 43724 1 16980 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1 1 10020 C11 H27 N8 O9 25890 246815 367575 433546 276035 133938 101857 1 190194 116194 389917 164975 289613 103809 96607 1 72685 1 1 798064 118683 631170 1 205428 1 242988 1 45084 1 54840 1 181433 143267 564219 1 1 157198 C15 H40 N8 O12 1 80696 126162 165897 86591 1 22228 1 57482 1 131367 46690 94199 1 24204 1 17119 1 1 446088 30174 307464 1 65346 1 73910 1 1 1 12882 1 55258 40634 245588 1 1 47744 C22 H39 Cl N7 O3 S3 1 27599 56743 70361 1 1 1 1 19004 1 44685 12849 32189 1 1 1 1 1 1 130783 1 102691 1 1 1 1 1 1 1 1 1 1 1 96510 1 1 1 677.3294@7.294579 1 1 71679 98415 1 1 1 1 1 1 73225 1 52269 1 8538 1 1 1 1 273311 1 189414 1 31021 1 43221 1 1 1 1 1 1 1 172289 1 1 25561 C6 H5 N2 O4 16852 31410 44165 41322 40996 23455 26853 11729 30561 22624 40186 28027 30609 24116 26548 17682 19951 14229 1 1 21391 55943 1 25791 14710 32310 20204 15185 8701 1 14199 25848 25203 1 13263 16714 23654 Creatine 7236302 1.82E+07 2.11E+07 2.30E+07 1.81E+07 1.29E+07 1.13E+07 4979272 1.47E+07 1.18E+07 2.11E+07 1.36E+07 1.80E+07 1.12E+07 1.06E+07 8576975 9570183 5886757 6490974 3.66E+07 1.12E+07 3.07E+07 4960167 1.48E+07 6043884 1.54E+07 8309306 7637552 4639702 8618935 6337401 1.34E+07 1.23E+07 2.59E+07 6904372 7589719 1.28E+07 Creatinine + 7.2947903 94968 185064 229159 244742 237224 1 150675 79170 1 1 235596 1 204681 131676 139842 107134 119793 87425 90180 1 119281 1 59951 163564 87947 202130 129363 84534 49257 96099 74283 151668 129023 275370 77626 112628 171678 C9 H7 N2 S 11462 16004 18374 1 17734 15311 11880 9348 15288 15203 15536 1 17970 15732 1 13234 14759 1 10477 9308 15742 1 11061 17027 11593 18188 12145 13244 11580 12776 13787 16987 18066 21769 1 14559 16440 C5 H11 N3 O4 S 24231 33414 30455 1 34369 19770 31205 22208 32069 32505 1 1 33117 29764 29967 28099 29270 25640 25280 19586 28327 1 21380 1 25898 33185 30369 26632 23103 17219 23518 33160 29287 18627 27845 28022 32940 C8 H17 N2 O3 28283 60332 68590 73977 59741 39265 36465 18980 51404 40871 67353 46081 56906 33616 35631 28790 32474 22724 21962 93295 36630 83315 16543 44983 22929 46742 28940 26931 19176 25702 23050 46876 38699 66028 25744 30382 40266 342.036@7.2958136 1 1 4398 5237 4315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 682.3912@7.300772 1 1 4434 1 9763 1 1 1 1 1 8095 1 1 1 1 1 1 1 1 1 1 27248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 669.2875@7.2142096 1 1 11919 1 1 1 1 1 1 1 1 1 26070 4753 12763 1 1 1 1 1 1 35742 1 1 1 7144 3369 1 1 1 1 1 1 1 1 6822 8560 685.2841@7.299097 1 1 16671 1 1 1 9989 1 1 1 1 1 1 1 4968 1 1 4584 1 1 1 10229 1 1 1 7998 8482 1 1 1 1 1 1 1 1 1 5175 613.3006@7.2726746 1 1 58565 19243 88665 7692 69054 1 1 1 28613 1 1 48739 1 32256 1 1 1 1 1 1 1 1 1 38054 1 1 1 1 1 1 1 44593 1 44236 1 835.4429@7.301504 1 1 1794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C31 H44 Cl N6 O 159734 14605 202269 112244 346125 48152 215665 332962 1 1 252354 41646 1 1 245079 1 1 202346 213265 99703 1 407622 1 1 85995 193068 441400 1 1 1 50332 11852 10834 1 1 138532 172845 577.3692@7.3056474 1 1 7390 1 1 3646 15013 1 1 1 1 1 5256 3918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3412 1 1 6789 1 451.7715@7.3240523 1 1 3741 1 1 1 1 1 1 1 3905 1 1 1 4526 4066 1 4582 1 1 2773 7802 3611 4069 1 5259 1 1 1 1 1 1 1 1 1 1 1 C35 H57 N S2 9724 20297 7208 1 26846 1 1 10316 1 1 1 1 1 8517 4915 11403 1 17040 11097 11581 1 31396 1 13226 1 1 10109 1 1 1 1 11605 5753 26346 1 16293 13263 303.168@7.3418775 44237 1 48648 1 1 1 39479 1 1 1 1 47625 35052 1 22837 1 1 1 1 19892 33177 41798 1 1 1 1 22638 1 1 1 1 1 1 1 1 1 23425 497.3482@7.3292627 1 8085 20307 1 39981 1 8608 1 6500 1 7171 10170 1 7797 7720 1 1 7676 6609 1 1 11598 1 1 1 5412 8035 4344 1 1 1 1 1 1 1 1 1 2-Formyl-1-indanone 1 14027 35994 27388 43308 10375 1 1 10483 10868 21364 60640 64173 7973 11860 1 10987 7583 1 23396 31525 55334 1 29569 6409 27406 37004 6324 22289 15642 1 22820 31095 12535 1 1 13743 451.235@7.3751965 1 1 12513 1 1 1 3628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.1737@7.3720307 1 1 28073 16876 1 1 1 1 1 1 1 31715 29829 1 22632 1 1 1 1 20739 1 66855 1 31051 1 1 1 1 1 1 1 1 14171 19445 1 1 18443 C8 H4 N O2 S 1 35705 23376 17062 23549 27023 1 1 26715 40156 67963 14590 16484 11340 1 8740 17383 11331 11908 69170 13231 17183 7118 16476 7441 19060 28860 21176 10495 1 23323 7274 12899 1 1 1 1 C29 H60 N13 S3 9024 15077 11652 19700 15508 1 11599 1 13570 9878 9234 7579 1 8694 9110 10518 8302 9254 7304 10082 1 11194 11959 10062 10311 10173 1 10720 8014 8816 7252 8650 1 7811 7793 9054 9526 Phenylenediamine 1 1 1118878 1 571775 1 1 1 1 1 35704 33145 37081 1 1 1 1 1 1 31696 1 1665742 1 1 1 1 1 1 1 1 1 27403 1 307350 1 1 1 686.9271@7.3878713 1 8010 5882 1 1 1 1 1 7149 1 1 1 1 1 1 1 4541 1 1 5271 3678 6388 1 1 1 1 1 1 3948 1 1 1 1 1 1 1 1 140.0583@7.4610987 1 1 69352 1 23664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25245 1 1 38976 1 1 1 1 1 1 1 24548 1 1 1 1 1 C15 H43 N11 S3 10505 11832 9798 11612 12200 1 1 9795 9400 8431 1 1 8320 9594 8486 1 1 1 9636 1 8656 16663 9625 6846 9128 10027 7647 7497 9147 1 10064 1 7848 9693 6700 1 8709 C25 H45 N6 O8 S 1 1 63271 1 1 1 1 1 1 1 45609 1 1 37359 1 1 26657 1 30947 1 1 1 28742 1 1 24574 1 1 27941 1 21701 1 1 27494 33451 135945 92200 261.1572@7.4086576 1 1 10393 1 11750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6298 1 9980 1 1 1 1 1 1 1 1 1 1 1 535.2909@7.3816295 10236 1 9148 1 1 1 16811 8317 1 1 9900 1 7380 1 1 1 1 10376 1 1 1 12847 1 1 6399 1 10372 1 2905 1 1 1 1 1 1 1 1 C24 H35 O10 221112 1 17544 20160 40265 1 132105 369325 1 1 28509 1 9279 8308 160969 27716 16983 223634 146480 12982 1 72397 12031 1 53876 82376 324142 1 14295 23547 1 1 1 3444 1 118447 113703 C30 H49 O11 1130184 15470 170660 139079 621983 21523 663511 1756095 1 16699 170892 37043 170011 132183 992969 262743 330156 1038433 782250 109553 7450 836650 23282 1 402936 798441 1995514 1 1 32707 56857 1 1 86288 69846 479044 481011 C15 H37 N9 S3 6901 7781 19729 6502 43047 6768 17084 28656 1 1 13830 1 9958 7518 19828 9425 8061 22971 20882 12686 1 46258 1 9734 17256 22041 51783 1 1 1 4767 13023 1 1 1 10777 12788 627.3389@7.43657 1 1 2233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23186 202.1316@7.44014 17418 1 32371 13062 15548 14871 29702 10442 17016 8467 15002 34717 21575 1 13610 14776 12738 1 1 44214 14679 50527 1 19278 12460 28997 8436 12058 10308 7225 1 8646 1 19802 1 1 7833 361.2102@7.461995 1 1 3801 1 1 1 1 1 1 1 1 4784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Nelfinavir + 7.450638 127370 18227 50710 117992 229025 57365 133482 142164 1 1 245187 17343 76446 41722 123587 99965 150605 106731 291568 58890 1 215837 50155 72935 283369 163559 298294 1 47474 16241 26343 17638 13728 25022 20388 69119 97073 188.116@7.466275 1 19540 22915 1 1 14939 1 1 1 17828 31900 16269 16920 1 1 1 1 1 1 66980 1 44340 1 13292 1 1 1 1 1 1 1 1 1 1 1 1 1 C23 H27 N7 O3 10634 1 9152 1 19818 1 10648 17941 1 1 13541 1 5499 1 9509 1 7387 10176 16201 6644 1 24100 1 1 11296 13631 21799 1 4179 1 1 1 1 1 1 4984 8852 C24 H33 O9 119247 1 22228 30153 69078 1 123221 210528 7951 1 71331 6174 21569 22847 111914 47054 49481 135885 186141 22247 1 91641 15170 15096 123095 94347 287227 9873 17991 16677 8908 1 1 6214 1 74312 79223 345.2152@7.4814754 1 1 6100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C28 H39 N4 O4 8474 10428 7022 9724 1 1 1 8304 9462 6628 1 1 8411 9386 1 1 1 1 7133 6512 1 7997 7439 6906 8012 6612 1 7902 6904 7037 7010 6645 6062 5432 7897 1 1 618.3347@7.486 1 1 9061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N2-Acetyl-L-ornithine + 7.505078 1 30337 55478 24964 52962 23401 1 1 1 28535 71304 1 18482 19717 1 20778 1 25132 17632 116456 19383 65945 1 1 1 1 1 1 1 1 19902 23502 1 18471 1 1 1 477.9677@7.500159 5660 7213 5745 10510 5483 1 6568 1 1 1 4851 1 1 1 1 4475 1 1 1 5610 1 1 1 1 1 1 1 6614 6297 1 1 5396 1 1 1 4433 4787 C23 H25 N7 O3 17447 1 15745 11668 28214 1 22729 32077 1 1 17808 1 9409 6390 10864 12140 16506 20115 12554 12458 1 37615 4228 1 1 16802 19908 1 9012 1 1 1 1 1 5755 11150 12564 C43 H52 N10 8500 11661 10600 14471 1 1 10799 1 9227 7778 1 6419 4505 7800 1 6938 7267 8227 1 5671 5709 1 9951 6553 1 14118 1 7314 7711 8482 6931 5793 5613 1 1 1 1 C10 H13 N8 1 18114 6846 1 20260 11179 12838 6778 20049 7754 15907 26472 37862 11163 19874 12743 12428 10252 1 32575 8490 72958 5207 13908 5926 1 15518 5726 1 1 1 5332 12519 10781 1 1 14719 381.1719@7.508095 1 5320 6277 1 50259 1 1 1 1 5095 1 1 1 2967 20883 1 6564 4262 1 18086 1 75287 1 1 1 24971 11023 1 1 1 1 1 1 8630 1 1 4340 Decaline 72557 1 14636 19242 47207 1 65447 142720 1 1 43077 1 10558 1 66557 25688 27330 78134 95555 10207 1 84968 9432 1 46483 60384 128392 1 9325 1 1 1 1 4130 1 48505 46318 C14 H27 N O S2 72109 19599 43285 33157 30291 23947 56800 26087 24297 24600 29236 21257 30572 11813 31901 9846 15238 10427 10999 41500 27175 60048 10141 30422 11124 23945 18538 19169 15075 9737 11007 22660 13224 23313 16315 19059 21291 1-Aminocyclohexanecarboxylic acid + 7.5476794 1 24782 34253 1 33188 1 18461 1 1 1 28495 27279 46041 1 29811 1 1 1 1 34326 1 64851 1 28226 1 1 1 1 26657 1 1 20143 1 31108 1 1 20804 3-Butynoate 26131 22822 36162 25578 35777 20840 1 12141 19670 15942 22516 37312 47290 10478 27023 13371 15100 10237 8525 42147 20112 75590 8844 34328 14885 21546 19563 10320 23830 10700 1 20434 22110 29246 1 1 17209 Methylitaconate + 7.548231 30292 28228 43283 28103 40338 19797 24552 12471 24484 18525 27984 38202 53270 14400 1 15644 18925 13215 1 49882 24492 92811 1 37150 16285 25314 25068 1 30400 12986 13405 25603 24693 31448 1 1 22568 Isopentenyladenine 3.68E+07 3.65E+07 4.60E+07 3.72E+07 4.53E+07 2.67E+07 3.15E+07 2.09E+07 3.29E+07 2.69E+07 3.50E+07 4.43E+07 5.27E+07 2.19E+07 3.63E+07 2.52E+07 2.76E+07 2.01E+07 1.56E+07 4.93E+07 3.24E+07 6.77E+07 1.78E+07 4.29E+07 2.43E+07 3.25E+07 3.21E+07 1.90E+07 3.65E+07 2.15E+07 2.20E+07 3.49E+07 3.35E+07 4.08E+07 1.15E+07 1.35E+07 2.94E+07 C16 H13 N2 O3 13812 14807 27091 18960 32856 9957 18260 10639 13476 9979 16115 1 36891 1 17966 10021 12241 7378 1 36156 13741 57236 6924 24975 10029 18364 19571 1 18306 7945 7598 17684 13524 25371 1 1 1 C7 H15 N O2 1294225 2667745 1822952 821909 2274832 1690983 1278728 679956 2525234 1762671 2986590 1432441 1113066 825621 1227915 1020656 1274826 790898 1058054 6582855 1223587 2691479 465197 2331299 743498 1257016 1267333 1437192 1696233 304168 1260559 1189941 830907 1060321 521679 544973 983621 211.0667@7.565759 1 2846 6907 1 9626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.053@7.574835 1 1 364403 1 24670 74301 1 113432 1 1 17578 1 17957 71022 1 1 1 18169 1 26070 76937 24372 1 1 1 1 1 20433 1 1 1 1 1 1 1 1 40107 N-Acetyl-L-Histidine 3982 1 15067 1 12013 1 1 1 7788 1 9500 1 1 1 3623 1 5493 1 1 23967 1 27245 1 5309 1 11975 3812 1 1 1 1 6765 1 1 1 1 1 C36 H57 S4 1 1 42749 14609 63324 7318 1 1 1 1 1 13598 1 1 1 24743 1 1 1 1 1 56646 11669 1 31955 15052 20531 4811 16811 1 19137 9597 1 14351 13196 1 1 593.3329@7.587085 1 1 48010 1 1 1 1 10371 1 4669 1 12705 1 1 1 89659 1 69480 103096 1 1 1 1 1 147256 92702 1 10062 12357 7773 28420 1 1 1 33773 78112 69949 608.3146@7.587 1 1 4497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0583@7.588201 1 20862 21993 1 26122 1 1 1 1 1 25964 1 1 1 1 1 1 1 1 42367 1 26211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Alpinine 116291 1 11388 21959 64199 1 75262 151086 1 1 22557 1 10701 13542 90378 25562 28828 97568 136634 7377 1 66547 7899 1 86434 63240 203648 1 8972 13556 1 1 1 1 2986 54193 53681 273.1578@7.610445 1 1 8932 1 1 1 1 1 4829 1 6862 9005 9148 1 11550 1 1 1 1 11926 5071 13873 1 10902 1 5339 1 1 8147 1 1 4374 1 14814 1 1 18331 C35 H72 Cl N3 O S4 6979 8151 7594 11381 9769 1 1 7024 8474 5756 1 4836 5938 1 1 1 1 3971 1 6093 1 1 1 7121 1 6494 1 1 1 1 5383 1 1 1 1 5795 7172 C11 H17 N8 1 1 12395 1 13066 1 1 1 10572 1 5049 9318 1 1 1 1 1 1 1 1 1 25487 1 1 1 1 1 1 1 1 1 6336 1 1 1 1 1 Ectoine 1 761369 560539 72820 325422 216158 1 1 189012 640830 836118 46592 53321 260518 36613 136440 433644 345186 229704 1398978 60872 230276 215892 98562 119029 171384 568602 147098 82821 33293 182726 88894 75700 50929 1 1 23951 6-Hydroxynicotine (R) 1 22520 25028 27522 28293 1 26047 22470 23938 24647 31356 18858 22584 1 24209 17449 20848 26502 20280 29503 25103 663491 18214 1 21181 25327 1 1 1 1 18279 20879 21831 1 1 22747 21569 Tyr Glu Ile 68396 1 29465 20889 95549 8093 59773 105942 1 1 61605 6270 26985 22034 59579 28675 38522 57031 61161 34965 1 124524 1 12355 40288 68300 127243 1 14014 5306 11163 1 1 10120 9179 31957 37023 2-(6''-Methylthio)hexylmalic acid 259596 980413 1156143 385330 951663 598716 361948 347733 649626 680637 1281300 490192 718341 352657 392429 282730 392898 334054 254566 1078565 363842 1070622 197799 511985 311310 593590 807885 357268 366080 126500 385411 327141 373337 286791 208852 191039 302514 5-(1-Hydroxyethyl)-4-methylthiazole 1 35551 39323 12271 36306 22137 1 1 22021 21160 48588 15857 23707 1 13902 1 1 1 1 35954 1 36903 1 1 1 17703 29579 1 1 1 12055 1 15521 1 1 1 1 2-Cyanopyridine 1 113003 110781 1 116144 1 1 1 75975 1 136500 1 76129 1 41562 1 1 1 1 108728 1 115475 1 1 1 60893 120582 1 1 1 1 1 1 1 1 1 1 505.2073@7.660431 1 1 15494 1 27568 1 1 7533 1 1 19231 1 9317 1 1 1 1 1 1 10291 1 42520 1 1 1 16783 28733 1 1 1 1 1 1 1 1 1 1 216.1224@7.649899 7701 17645 24046 14457 30775 17375 1 1 1 18482 44374 6333 9942 16434 1 6532 8808 1 1 250800 3926 107667 1 7521 8289 13858 10917 8420 1 1 1 1 1 6907 1 1 1 C19 H37 N6 O2 S3 33423 1 51774 25302 152188 4281 73058 43709 1 1 44900 8122 38086 15402 41985 29590 27305 49055 17587 39947 1 251865 16418 1 18628 64264 79564 1 14152 6520 10759 5037 1 15279 6584 30013 46049 C6 H9 N6 O2 23743 25403 39857 31320 73919 31398 33190 13376 35627 43579 72789 25899 31451 18202 17606 24093 24746 35079 1 101397 18924 53174 1 45438 1 67403 25419 23242 1 15207 1 19843 19412 1 17907 1 1 C21 H31 O8 1681225 110530 299304 387308 1100526 138985 1618667 2844209 90083 64671 930279 90520 280702 283041 1556274 541296 483336 1805152 2437650 708239 38443 2085873 192681 165093 1761729 1164948 3254473 109030 196846 196200 83021 45588 52510 102894 76108 851387 881528 275.1734@7.676384 1 1 37590 1 1 1 1 1 1 1 1 26689 39917 1 15270 1 1 1 1 46199 1 91327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16112 C17 H18 Cl N2 6719 1 15198 2333 28668 13153 1 1 1 7625 21149 2724 28015 15038 18504 13985 6155 6870 8237 76958 48065 281390 17003 3249 17267 12188 1 20463 1 1 1 44779 1 16005 1820 1 8112 593.3322@7.6570454 1 1 48168 1 1 5097 1 103575 1 1 59821 14416 37828 21914 46293 1 47925 1 1 56387 1 132973 21128 1 1 1 1 1 30467 1 23381 5960 1 1 21307 1 1 657.3119@7.664868 1 1 32181 1 1 1 1 1 1 1 34172 1 1 1 1 1 1 1 1 34008 1 105368 1 1 1 1 1 1 8722 1256 1 1 1 1 14225 1 1 605.2961@7.675415 1 1 23784 1 49052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4-Methylene-L-glutamine 1 119943 700378 87417 271939 101341 115034 44271 135606 189446 1194335 82891 107649 63356 8055 68310 72185 31620 82694 4168095 118122 1451379 30700 167313 37314 208008 56597 79083 1 102449 64500 133931 49988 66014 61835 45168 1 437.2172@7.6887274 41613 1 7694 8089 52646 1 37496 77566 1 1 26284 1 11020 1 37639 19821 23630 53607 48782 30020 1 110482 4539 1 1 28406 55264 1 1 1 1 1 1 1 1 20749 20164 L-Methionine S-oxide + 7.688807 104918 44527 53854 109444 847805 37693 271943 237054 27781 46323 521561 38482 107370 114294 295512 147706 181059 358563 355481 1 27120 2004636 113849 31483 228310 365657 538415 21995 1 1 1 23561 1 34724 24494 87766 133543 137.095@7.6975284 1 19922 25330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6950 1 42096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0692@7.698 1 1 42256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.0585@7.70209 1 1 50882 1 38017 1 28676 1 1 1 31735 1 1 1 19187 1 13144 1 1 61593 1 75343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C12 H23 N O5 192296 172709 427089 148463 435069 125290 217053 133193 184907 139290 286791 140761 199840 96846 129493 113301 139898 105620 74503 610135 172295 684805 57537 233708 95043 207576 234088 89054 136582 58022 81689 181328 82551 187828 73875 81434 106272 PS(14:1(9Z)/0:0) 193703 11346 46736 72123 200281 23270 152932 250456 6507 1 178038 11277 43604 41230 190600 84153 94727 224495 327929 115145 1 441560 29139 30647 192302 247123 562740 1 24185 14516 11705 6429 1 14220 10777 79982 109768 275.1367@7.721021 15232 7686 47637 10279 22729 8320 25002 8363 11399 13577 32868 5002 10622 9090 8253 4671 7783 6105 7400 78119 11950 54033 1 12961 4517 12573 9457 1 4030 5622 1 12113 3273 8534 7546 1 1 C8 H17 N O3 34806 112843 188261 47226 202690 87252 34171 1 92741 82128 143868 62566 74049 64157 102238 67538 87910 63168 49531 226953 43654 367038 47252 62519 61025 1 41942 53731 36875 1 61477 121638 40751 118027 1 1 86238 129.0426@7.740634 1 1 68167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 752.9648@7.718909 1 1 3337 1 1 1 1 1 1 1 1 1 1 1 1 1773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2511 1 C11 H21 N O5 34252 161081 271348 90698 343541 93237 38912 50203 101677 130061 240552 89703 76612 58186 35664 98410 134672 93745 35913 420757 57627 219960 46279 114994 100788 126729 172826 54633 43615 26281 59539 64334 75155 51805 36904 22642 35828 419.1701@7.719386 1 1 4531 1 1 1 1 1 1 1 1 1 3472 1 1 1 1 1 1 16560 1 26424 1 1 1 4146 1 1 1 1 1 1 1 1 1 1 1 317.1851@7.733579 1 1 11879 1 1 1 1 1 1 1 5675 1 1 1 1 1 1 1 1 1 1 10534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 623.306@7.729 1 1 14888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.1207@7.745295 1 1 83952 1 1 1 81266 1 1 1 1 1 1 1 1 1 1 1 1 72018 1 254498 1 1 1 1 1 1 1 1 1 47963 1 48470 1 1 1 399.1654@7.735736 18841 1 8553 1 21284 1 22122 36124 1 1 1 1 1 1 8778 5754 5947 16839 1 1 1 54193 1 1 1 12509 29645 1 1 1 1 1 1 1 1684 14005 10770 C30 H49 O10 506895 80420 438482 210492 855288 140631 461438 861772 25833 52213 880610 117144 366210 291593 656247 398389 839537 622653 766881 934764 26982 2311411 106944 78286 872062 753738 1424110 45740 179055 32919 157392 57320 27377 150118 111186 281915 382078 577.3184@7.73694 1 1 5796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27871 1 110437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 393.7853@7.744 1 1 1644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.0558@7.740745 1 1 16053 1 22979 4054 8334 1 5409 1 10254 6245 6060 1 1 1 1 1 1 48318 2791 75872 1 1 1 6522 1 1 1 1 1 1 1 1 1 1 1 142.074@7.7497344 1 1 20451 1 1 1 1 1 1 1 57511 1 1 1 1 1 1 1 1 34280 1 37955 1 1 1 1 16277 1 1 1 1 1 1 1 1 1 1 172.0848@7.757964 1 1 17997 1 1 1 1 1 1 1 32575 1 1 1 1 1 1 1 1 56044 1 26884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 403.8122@7.766 1 1 2766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.2119@7.810957 1 1 1592 10986 15890 1 1 22193 1 1 10060 1 1 1 1 1 1 10383 1 1 1 16782 1 1 1 16604 23150 1 1 1 1 1 1 1 1 7121 7973 C21 H31 O9 215499 1 35838 66814 124538 13271 143001 332846 12285 9140 99632 9563 41696 35482 174963 62079 63441 159256 375775 79926 3617 378956 21374 18289 379344 125003 394121 22727 23604 16850 9620 1 1 15830 11443 103067 102854 Trimethylamine + 7.8191104 1 11216 12875 1 16936 1 1 1 1 1 12978 1 7152 7019 1 8822 1 1 5468 25147 1 17175 1 9343 1 1 8056 1 1 1 1 10041 8793 1 1 1 5640 C8 H17 N O3 + 7.813616 1 23461 62421 1 46999 1 1 1 1 28573 34709 1 1 1 1 1 1 1 1 1 1 63506 1 1 1 1 22076 1 1 1 1 22325 1 1 1 1 1 Amiprilose 1 22376 41870 1 79473 1 1 1 10336 7197 30477 1 1 5479 1 8863 11934 1 1 178872 1 59204 1 8671 1 11168 1 1 1 1 1 7627 1 1 1 1 1 Acetoacetic acid 7468 20631 31829 1 30825 16461 10792 1 16135 1 23563 13751 11266 13257 12018 15492 17934 14299 11364 42004 1 30224 1 15159 12885 16629 12758 1 1 6127 9851 15366 1 13557 1 1 9156 C14 H11 N2 O2 4576 16080 20825 10746 27955 12001 10589 1 13200 13523 25983 11164 8427 12200 1 14742 15752 12172 9894 1 10122 29590 1 14542 10642 1 11809 5954 5548 1 1 12180 10212 13024 4981 1 8661 C7 H15 N O3 2.04E+07 4.64E+07 5.22E+07 3.58E+07 5.65E+07 3.67E+07 2.90E+07 1.93E+07 3.76E+07 3.41E+07 4.72E+07 3.42E+07 2.84E+07 3.11E+07 2.96E+07 3.57E+07 3.96E+07 3.04E+07 2.63E+07 6.66E+07 3.29E+07 5.30E+07 2.23E+07 3.60E+07 2.84E+07 3.72E+07 3.38E+07 2.44E+07 2.11E+07 1.62E+07 2.72E+07 3.62E+07 3.37E+07 3.49E+07 1.98E+07 1.85E+07 2.64E+07 C20 H29 O8 124230 1 45949 59319 171463 1 131979 200104 1 8092 125387 1 44568 36796 127205 57110 51958 120304 233795 1 1 222374 20080 29378 176903 144471 333145 11081 33314 9337 14156 1 1 12888 1 68482 93974 C11 H21 N O5 + 7.8318696 313422 78558 227288 513062 177851 92582 208281 100163 153017 86281 142859 486148 805194 40143 336482 64094 53117 33043 24674 445081 242891 1384460 33741 499749 65598 224406 123088 69201 275200 234781 47017 126734 222056 442401 24646 36333 303945 385.1498@7.806281 6866 1 15441 1 16226 1 1 1 1 1 1 1 1 1 1 1 1 23359 1 1 1 25166 1 1 1 8673 10662 1 1 1 1 1 1 1 1 18080 1 C22 H31 O3 S2 26644 1 28451 13701 55273 1 59299 81794 1 1 34893 1 24362 10014 32243 21928 27360 40967 36015 14592 1 84782 10945 1 18665 33498 46682 1 13962 3707 8852 1 1 1 1 31857 32523 413.1449@7.856848 1 1 8551 1 1 1 13680 16296 1 1 1 1 1 1 1 1 1 9954 1 1 1 20775 1 1 1 6512 12410 1 1 1 1 1 1 1 1 9077 11243 581.2237@7.939148 1 1 8864 1 7682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Piscerythramine 40418 1 30272 16106 53984 1 55432 60577 1 1 39973 1 21829 10858 23772 18798 5800 29863 30996 23893 1 93077 6809 1 15153 30766 43925 1 13774 1 1 1 1 1 1 1 27850 C15 H29 N6 O6 S 147259 1 33531 43911 195977 1 223537 272852 1 1 96971 7549 69348 52879 97070 87540 72052 116897 112488 76023 1 267581 38438 1 42014 93977 127666 1 42823 10607 11158 1 1 19714 20160 122776 86637 610.3332@7.952792 1 1 2213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C24 H39 N3 O4 S2 26532 1 6868 31990 65695 17249 36449 32171 1 1 84809 1 18011 1 20207 26039 32716 27982 74403 15226 1 56043 9793 20248 48734 32694 62315 1 7252 1 1 1 1 1 3365 9224 21827 479.192@7.890396 17595 1 33057 5234 23938 1 28692 28571 1 1 23812 1 22205 1 1 1 16275 18871 12829 1 1 52278 1 1 1 19708 21347 1 5106 1 5606 1 1 1 1 12527 15058 265.1524@7.893908 1 9203 10001 1 1 1 1 1 1 14470 22200 1 1 1 1 1 9549 8998 1 68225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.0957@7.9009995 1 1 15980 1 8702 1 1 1 1 1 8588 1 1 1 1 1 1 1 1 20484 1 31688 1 1 1 1 1 1 1 1 5346 1 1 1 1 1 1 333.1781@7.900907 3143 1 3560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 483.1873@7.910163 1 1 16967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 363.1689@7.933963 1 1 21589 1 81666 1 6442 1 8074 1 65271 8442 52994 1 1 1 1 1 1 1 13868 48190 1 1 1 1 1 1 18042 1 1 1 9300 1 1 1 1 C27 H41 S4 9791 1 32749 8985 49583 1 33297 33477 1 1 27929 1 28468 10340 17878 22076 21616 23689 15084 20446 1 122372 1 1 13139 22422 32347 1 8035 1 5277 1 1 1 5591 16838 24803 AK-toxin I 14534 1 8773 1 27689 1 13515 46443 1 1 21775 1 4169 3019 14516 10916 7205 23763 30216 1 1 74853 1 1 40529 17756 41094 1 1 1 1 1 1 1 1 7239 8670 395.1702@7.932486 1 1 5062 1 10973 1 1 1 1 1 1 1 1 2027 1 1 1 1 1 1 1 1 1 1 1 1 10100 1 1 1 1 1 1 1 1 1 11836 C19 H19 N7 O3 14231 1 24502 11641 56495 1 39275 32722 1 1 24812 4560 24815 1 24669 19438 20871 25648 10269 1 1 101526 10186 1 17729 23727 36383 1 7161 1 1 1 1 1 1 17572 25338 383.1343@7.940375 1 1 24256 1 40565 1 1 1 1 1 9844 1 1 1 7474 1 10989 1 1 1 1 75879 1 1 1 18880 20840 1 1 1 1 1 1 1 1 1 1 350.1736@7.9568853 1 1 7522 1 1 1 1 1 1 1 12059 7133 14315 1 1 1 1 1 1 1 7024 21651 1 1 1 1 1 1 1 1 1873 1 5494 1 1 1 1 C20 H25 O9 39182 1 25075 20822 1 1 78851 92419 1 1 49794 2404 24152 14682 29036 27802 25558 40026 46461 31164 1 99356 1 1 31477 38232 64220 1 1 1 1 1 1 1 1 35260 33647 465.1764@7.9728107 13694 1 38846 11675 32192 1 40364 35272 1 1 29548 1 26932 8584 1 13927 19058 21379 11785 17412 1 76640 1 1 1 33390 46616 1 7578 1 7688 1 1 1 9152 16576 29814 C18 H29 N3 O2 S2 1 4722 22235 23104 73721 1 48166 38157 1 1 42584 1 21271 13442 37336 18393 20413 33290 39672 31417 1 97370 9970 1 36990 42973 66324 1 10402 1 1 1 1 1 1 21675 32312 483.2226@7.9873667 60201 1 10804 1 28629 1 43241 96864 1 1 26959 1 1 1 44456 12813 1 53742 90472 15706 1 65482 5034 1 93922 38491 119325 1 6430 1 1 1 1 1 1 33910 31978 C17 H33 N3 O2 S3 1 1 26728 28486 165332 1 1 76926 1 1 49263 7291 50699 30019 1 48267 43138 72733 30842 1 1 259281 29909 1 29111 58899 79819 1 14837 6835 7637 1 1 12136 1 1 58106 C17 H31 N3 O8 S 135630 13509 281889 107290 491328 30205 305481 188343 1 13026 201795 46147 179352 72291 173634 166408 139990 213150 105674 139291 1 960086 73330 15805 92172 207176 277121 1 70077 38895 54059 24822 16493 64763 42572 1 265584 451.161@8.014229 1 1 24520 1 13742 1 12600 1 1 1 11585 1 1 1 4214 3610 1 1 1 1 1 53313 1 1 1 1 13280 1 1 1 1 1 1 1 1 1 12397 261.1211@8.051272 1 1 10276 8460 12182 3884 1 1 6507 1 5297 1 1 1 5621 4197 1 1 1 24027 1 13471 1 1 3164 1 4816 1 1 1 1 1 1 1 1 2708 6493 Novobiocic acid 9806 1 32290 1 57606 6089 59328 35596 1 1 46239 1 30393 1 24778 22525 23413 30720 21519 22757 1 130155 1 1 27454 34313 55108 1 1 1 6943 1 1 1 1 22436 32418 359.134@8.060961 30583 1 10400 1 29864 1 34312 55728 1 1 3934 1 1 1 23563 9924 7021 25287 14870 3423 1 42688 1 1 1 20514 39317 1 1 1 1 1 1 2026 1 19173 16961 Thr Phe Asp 194724 12370 116145 59776 197787 20089 281766 329505 1 1 166758 19142 102682 64179 125400 97262 103546 163220 160257 161522 1 415621 38064 18339 106670 157499 228992 1 57140 1 27985 11581 7014 31551 36574 130063 121693 195.1366@8.126203 1 1 105984 1 103889 1 1 1 1 1 92838 1 1 1 98812 1 1 75755 1 152176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C21 H35 O3 S2 17905 1 7679 12574 26543 5289 18020 18846 1 1 22577 1 1 6182 18030 6375 13426 12962 43166 11239 1 42779 1 1 71713 19902 41897 1 3254 1 1 1 1 2876 1 9208 10312 369.1543@8.145372 27574 1 12865 1 38522 1 44493 40450 1 1 17408 1 1 6816 1 12894 13214 26774 24034 19151 1 79028 1 1 24135 28609 41230 1 1 1 1 1 1 1 1 21926 20272 419.1704@8.163052 1 1 7463 1 13635 1 1 1 1 1 6798 1 1 1 1 3862 4666 1 1 1 1 43594 1 1 1 7848 7734 1 1 1 1 1 1 1 1 1 7212 C11 H23 N6 O6 S 76150 11477 147475 64201 221572 21473 207725 138743 1 10119 153883 26982 139107 61023 107824 90979 98936 123214 80801 137231 4087 579923 45776 14385 103154 120350 188537 1 51158 29584 30604 16674 9582 39399 24325 94892 124618 541.1924@8.202197 1 1 22316 1 12143 1 9996 1 1 1 1 1 1 1 1 1 5710 1 1 1 1 24503 1 1 1 1 5968 1 1 1 1 1 1 1 1 1 1 L-isoleucyl-L-proline 1 293090 318475 287589 1 206478 165683 76632 222436 168942 692483 89582 84534 1 79950 137036 1 68538 46423 1019256 87568 568345 1 116626 102917 117179 67476 153398 104398 18441 114858 123975 79760 376396 114685 119040 122800 C15 H24 Cl N8 O2 18933 1 17384 8389 27371 1 36860 42900 1 1 22507 1 12968 5944 14453 13218 14854 17892 25025 30855 1 84068 1 1 18035 11645 17309 1 8165 2363 1 1 1 1 1 19298 14782 C20 H27 O9 385353 1 264446 118879 508050 29620 466752 506666 1 16690 268032 38233 168451 89063 194407 164690 175383 275254 265058 338838 1 1224325 67053 23489 135098 309169 357712 10182 98452 37221 47649 17460 1 64415 73020 271021 242004 216.1474@8.275755 1 1 11193 1 15182 1 1 1 1 1 14639 1 1 4260 1 3800 1 1 1 32901 1 19701 1 1 1 1 1 2108 1 1 1 1 1 1 1 1 1 C23 H33 O5 S2 24031 1 58266 22868 119939 1 78995 48062 1 1 57514 5768 53407 22371 38016 34534 41697 48637 37180 68279 1 340453 16200 3788 28490 50932 77197 1 15985 1 1 1 1 13259 6105 35099 49108 369.1548@8.278993 1 1 20557 7808 27676 1 23437 14540 1 1 19480 1 15928 1 12529 13154 1 12939 1 19448 1 131815 1 1 16063 12687 20757 1 1 1 1 1 1 1 1 1 16632 C17 H23 O8 714225 53824 263064 253256 1042279 70956 1026766 1177701 1 32911 552429 59658 288909 175648 479135 343771 300546 548084 693368 589095 23429 1669341 154072 79045 439786 586483 993267 30223 179758 44130 68446 38607 35684 82691 82763 503097 405489 Aureothin 155256 1 366812 125491 658786 29186 362511 236038 1 19553 290130 50125 285562 95900 197998 159716 175472 284864 124047 344481 1 1885204 91335 19388 119818 286289 357030 11724 82367 32637 56568 29383 15292 98788 48065 174603 260052 (+)-Adlumine 1 1 10066 1 28444 1 27407 32635 1 1 20993 1 11822 1 10930 10588 9617 16853 15697 20899 1 1 1 1 11803 10650 25518 1 1 1 1 1 1 1 1 13395 1 501.1973@8.357112 66630 1 28191 1 58445 1 50260 108116 1 1 1 1 1 1 43484 1 10542 60642 14115 1 1 146890 4320 1 1 58542 73900 1 1 1 1 1 1 4949 7289 5268 38761 C6 H15 N5 O 13916 1 46533 16223 43133 15008 24520 16667 13489 1 26161 22167 19118 12455 12842 12001 11832 1 15535 42568 15669 77685 10324 14353 1 1 17892 13154 1 32227 14059 26204 18263 16040 11632 11512 13643 C17 H23 O9 105596 6043 57727 39255 168053 1 170374 232983 1 4963 88212 1 51003 36391 66563 57241 59540 65362 140626 151812 1 388161 20539 1 89867 90812 137721 1 33322 1 11443 6084 5830 16175 15492 72214 60724 1-Aminocyclohexanecarboxylic acid + 8.401059 1 69413 140246 60692 105364 45752 52319 27692 55885 58747 80054 80340 68821 26315 49564 28484 42345 29133 1 152814 55498 190458 28979 68278 1 45423 49158 32425 33943 41620 27527 58317 49914 46376 23264 1 37947 294.159@8.403537 1 1 27369 1 26996 1 81471 86515 1 1 16357 1 1 11183 24389 20732 1 50970 17682 1 1 56989 1 1 1 26575 36066 1 1 1 1 1 1 1 15771 46469 36253 C16 H21 O8 259471 40747 353557 258852 1175074 68639 683298 445453 22808 29328 479421 68682 358821 172341 431083 278915 257016 405384 343146 557591 17988 2198171 176195 58736 388562 532082 826881 28835 151459 1 73113 57222 37453 90659 57304 319057 384633 L-isoleucyl-L-proline + 8.420621 115331 408923 531420 299533 444026 283988 242599 87829 325822 241505 810616 129308 178070 191949 57177 140435 166032 103956 96447 1343912 130009 690093 1 181475 103245 187742 118930 232512 97531 40102 151991 224883 140524 597664 121757 153660 210468 487.1815@8.412524 5105 1 18941 1 35723 1 15747 20912 1 1 1 1 1 1 21711 1 1 20140 1 1 1 109058 1 1 1 17877 33638 1 1 1 1 1 1 1 1 12809 15567 369.1188@8.448504 1 1 5579 1 1 1 1 10331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8104 1 1 1 1 1 1 1 1 1 1 1 369.154@8.442224 1 1 7778 1 12144 1 1 1 1 1 5822 1 1 1 1 1 5384 1 3898 8042 1 52961 1 1 5633 1 8368 1 1 1 1 1 1 1 1 1 1 393.1551@8.445452 13719 1 11259 1 15097 1 16782 1 1 1 10055 1 1 1 1 1 5708 1 7731 13607 1 44204 1 1 4387 10406 10663 1 1 1 1 1 1 1 1 9787 8512 483.1867@8.491454 21141 1 21254 23910 82268 1 59971 49532 1 1 54020 1 32595 1 24647 21840 22913 1 42594 76369 1 151460 11146 1 24475 41817 44859 1 18511 1 1 1 1 1 8278 31079 24137 C22 H21 N14 18346 1 3047 3569 1 1 12608 30329 1 1 10553 1 1 1 15980 4993 7293 14445 54872 9084 1 36190 1 1 62699 10691 43781 1 1 1 1 1 1 1 1 7645 9846 C18 H37 N3 O4 S3 10227 1 17581 18105 134417 1 37916 38505 1 1 27240 1 24987 1 43822 18729 15399 23789 26575 59648 1 186293 8122 1 31738 35625 51478 1 9665 1 1 1 1 1 1 16744 19175 Pirbuterol 52413 1 171729 1 206711 112403 128038 1 1 45033 198213 116618 116374 93872 68340 66606 65101 36377 45299 389784 1 367849 37731 1 57804 59519 85227 81561 36923 29301 70085 1 38979 90727 1 14259 65906 C16 H21 O9 32063 1 48215 32185 133632 1 87597 62337 1 1 62171 7673 48338 21305 56686 35135 37562 45757 48258 93798 1 386628 19097 4909 64774 59160 94568 1 18417 10123 7499 4692 3691 10688 1 37829 26472 379.1388@8.534253 1 1 20600 3899 26804 1 17523 9104 1 1 12091 1 12734 1 1 1 1 1 1 15573 1 93416 1 1 5329 9467 12724 1 1 1 1 1 1 1 1 1 12648 274.1529@8.562133 1 8551 5573 1 1 1 1 1 1 1 6789 1 1 1 1 1 1 1 1 18892 1 6393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide 34367 1 19348 1 98212 1 92259 111955 1 1 36866 1 17837 1 33443 28214 25894 42773 63068 1 1 218177 1 1 33281 40775 66024 1 1 1683 1 1 1 1 1 37099 31495 C20 H27 O10 65373 1 48708 19793 77659 1 102417 110975 1 1 61150 1 38700 22642 31191 33870 33738 55508 68045 111956 1 279054 10620 1 30876 56484 83241 1 18858 7869 10090 1 1 9825 13338 57267 45171 C23 H33 O6 S2 1 1 27945 21314 80742 1 51615 1 1 1 40167 1 30623 14543 24697 20809 20101 19649 17374 50020 1 166458 13646 1 23529 33196 42423 1 9757 4182 1 1 1 7019 1 17087 17926 88.1003@8.622852 1 1 20916 1 1 1 1 1 1 1 1 1 1 1 7348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 403.1671@8.659815 1 1 9669 1 11058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22587 1 222326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.1341@8.660931 7858 1 9104 1 65485 1 1 32619 1 1 21143 1 1 1 24338 12647 1 25087 17974 35769 1 181860 1 1 19252 30569 46639 1 1 1 1 1 1 1 1 1 22307 L-Arginine 1 415395 747780 179240 557933 275542 204309 72479 436087 634974 1349740 411921 392860 184056 126763 169638 154748 200957 139375 6004181 204558 3732780 83138 248689 79991 284484 182625 196216 1 111658 172073 190733 229600 144126 129060 98264 92171 Noscapine 3949 1 51215 15206 86695 1 1 9786 1 1 48950 1 30559 16888 22620 1 28960 34513 27564 84841 1 332000 12142 1 1 34492 56986 1 1 1 4450 1 1 8602 1 26334 34171 C10 H18 N4 35243 48341 34257 39738 37383 39579 37860 35090 35009 32911 32849 33518 33572 33678 31226 32485 31661 35359 30630 32425 34728 35224 33220 32753 30553 32763 29337 31104 32288 33756 29287 32533 1 32473 32927 33985 37021 C20 H29 O10 97915 1 21339 1 159872 1 133191 202259 1 1 72805 1 31974 1 113398 45129 33203 80935 86826 128387 1 354374 19300 6951 64906 71669 140358 1 20408 1 1 1 1 1 1 55024 49000 437.1805@8.860454 1 1 2519 1 12754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Val Ile 1 1 15704 5646 11291 10467 1 1 6896 7869 17201 3441 4874 5108 1 2887 1 1 1 33919 1 22506 1 5484 1 5444 3107 6384 1 1 3975 4942 1 1 1 1 1 C22 H35 N3 O5 S2 21638 1 21444 10281 74116 1 33600 28581 1 1 32229 1 1 2280 19589 15648 20529 18577 24451 52372 1 27747 1 1 22862 34389 50656 1 6589 1 1 1 1 1 1 13373 12208 Arg-OEt 90758 124392 337283 120320 233469 105528 201587 48948 152035 198159 731646 210743 280975 78387 64386 73164 64629 92483 61723 2902023 152515 2156620 1 157306 34227 122761 52072 68345 30245 59401 70037 104032 87937 101662 65809 54315 45352 471.1863@8.920616 1 1 18173 9402 85666 1 36617 10994 1 1 16606 1 21241 1 19590 9799 17213 15089 1 80116 1 367065 1 1 1 28593 38788 1 1 1 1 1 1 3347 1 8572 11676 129.079@8.977807 1 1 333286 111746 1 1 214775 1 1 274256 778960 224377 319917 1 1 1 1 153693 1 4517964 1 2096948 1 1 1 1 1 110060 1 1 1 1 1 1 146641 1 1 485.2023@8.946024 1 1 4736 1 21860 1 1 13617 1 1 14166 1 1 10570 1 1 1 1 1 83450 1 146470 1 1 1 1 13295 1 1 1 1 1 1 1 1 1 1 Nitrilacarb 22086 44527 184055 23188 255048 32559 1 1 23778 50882 93297 34100 34676 33507 63108 30260 31879 47325 49877 1066121 30669 1634114 22190 30862 19489 47489 35455 22061 10342 1 18509 80228 14676 23213 1 1 22868 153.1263@9.018139 1 1 11927 1 14033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66911 1 92922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ne-Methyl-L-lysine 1 34043 72717 1 60769 1 1 1 56299 61573 1 1 64187 1 1 1 1 1 1 567134 1 446406 1 52962 1 1 1 1 1 1 1 53739 1 1 1 1 1 N1-Acetylspermidine + 9.039678 80594 92599 163154 52079 113997 77592 135161 50312 141507 109405 171365 140988 106775 83164 53539 59116 58038 72902 45598 494091 79537 430284 43257 75548 34652 42928 24966 63183 32346 36408 73272 66644 42223 70850 44215 47887 31193 C7 H18 N2 O 209284 333094 255896 506573 251415 249339 259880 257199 258274 248949 227078 235419 249638 250887 237668 235653 249339 233912 240549 1 230866 270192 239020 245388 229769 234983 248574 234130 214003 233377 230764 232809 219691 226782 225913 220169 221650 Xamoterol + 9.089115 1 12253 26536 23081 15773 3986 1 1 11334 1 28983 1 1 1 2082 1 1 1 1 72179 1 33105 1 1 1 1 1 1 1 5887 1 13877 1 20979 3633 1 5324 166.1215@9.100229 20683 1 25056 1 1 27127 21612 19560 20131 20456 24140 1 1 23672 19607 1 18680 19671 1 1 1 21849 15919 19208 23672 21461 1 17327 22362 18866 22315 1 1 18969 1 1 18988 282.1027@9.106885 1 8247 7440 1 14088 1 1 1 1 1 1 1 1 1 1 1 2159 1 1 61132 1 41341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C8 H17 N5 O S3 1 24126 31120 1 53281 1 1 1 1 1 23160 1 3082 1 1 1 1 1 1 169093 1 147081 1 1 1 1 1 1 1 1 1 8049 1 1 1 1 1 5-Methylcytidine + 9.106024 688490 3890091 4136263 629424 6384616 1260448 1516312 1290736 2180657 1264535 3289592 1435501 1392560 1023117 1307385 965412 1228878 1292502 1085147 4.30E+07 475767 2.65E+07 565910 799195 959313 1098137 1597884 1144503 1140066 716373 906403 2100730 1009499 1301947 780137 919719 901057 514.205@9.116129 1 1 169735 1 1 1 1 1 1 1 106728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Asn-Abu-OH 1 14248 14031 1 32585 3817 4270 1 7474 1 12689 1 4133 1 3793 1 1 3899 1 73157 1 61746 1 1 1 3391 5977 3887 3297 1 2713 7375 1 1 1 1 1 220.0113@9.11466 1 1 4484 1 9824 1 1 1 1 1 3575 1 1 1 1 1 1 1 1 30902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C5 H13 N O + 9.106265 71673 309917 305767 64736 405355 130001 144362 126471 201210 122111 240445 144269 133924 109867 134897 108915 106824 123965 107165 732418 55081 639041 72147 81529 97662 112722 154217 116067 127128 85011 103748 200942 107915 134632 81840 102657 100139 C20 H13 N O 4776 34714 36431 4664 57240 10363 11135 1 17079 8737 25832 10418 1 1 11680 7209 8837 8186 1 288225 3208 182044 3660 6133 7288 8859 11548 8628 9665 4607 5777 14095 1 9692 6555 6306 6055 337.0444@9.121 1 1 3950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 439.1712@9.229519 1 1 4823 1 21670 1 3675 1 1 1 1 1 1 1 1 1 1 1 1 11834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C6 H13 N O + 9.280245 1 202607 160990 223661 162856 146948 161508 152820 165669 158640 146079 1 139551 150782 139399 132824 134191 133763 136458 132426 139185 146204 141655 149137 133632 139928 140950 138703 135714 133947 149823 143705 135158 153141 138436 155275 158758 C8 H20 N2 O 5557855 6918263 5653589 8218753 5214873 5465540 5571572 5482119 5562773 5564462 5325571 5438808 5378701 5336374 5043843 5056079 5394930 5197750 5271963 5288967 4939160 5278683 5356021 5225384 5143367 5084107 5169407 5112258 5168007 5019302 5111569 5172732 5050969 5008461 4897269 4895649 5106498 D-2-Amino-hexano-6-lactam 1 1 569930 641363 554135 1 614070 520252 1 528205 1 546830 530611 483116 504362 490206 511539 498213 1 1 493150 566390 1 507406 1 1 519356 1 519985 1 540392 1 536786 517955 513988 1 1 C7 H18 N2 O2 45751 60812 52143 86131 56294 42568 41262 44023 44016 43050 42278 47095 47513 44874 41847 45194 44232 48993 42954 38992 40594 45176 47216 41657 41032 44055 40620 39172 40188 44964 43416 42426 45999 39335 38619 38679 42390 7,8-Diaminononanoate 43006 109113 243231 102799 146304 69734 94600 35528 95654 124144 238758 63587 93531 72439 71281 46812 56102 67893 43777 755522 73165 669609 24976 71953 33089 121891 70780 50798 1 62082 52099 62153 52140 81864 36029 25995 35288 C8 H20 N2 O2 670439 819376 677879 965498 637887 696086 645639 647182 618526 642503 635309 593132 611049 622450 640164 623344 627913 556443 595836 626657 582265 611866 630937 558396 620580 558234 605066 597873 610429 605709 567419 567365 611871 603270 618668 561259 564553 C9 H14 N4 1 25937 72082 68876 33873 1 13867 1 26361 1 68938 28319 27898 1 14213 1 1 1 10751 206680 25917 129165 1 1 1 27543 1 1 1 1 1 23666 1 62496 1 1 1 184.1215@10.612499 1 1 13675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26343 1 24279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C8 H20 N2 O3 162775 216218 171029 218585 190235 173556 180781 164578 181125 168796 168182 174953 173164 172488 173273 122923 164878 155023 161572 167287 178755 165243 159874 165575 156891 165819 160445 152097 162950 155913 159986 159891 166848 160371 167867 160475 158927 205.1453@11.311016 1 1 12135 3240 7762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18939 1 25387 1 1 1 1 4845 1 1 1 1 1 1 1 1 1 1 274.0844@0.72528106 1 1 1 5019 1 1 1 1 1 1 1 1 1 1 1 4547 1 1 1 1 1 1 1 4391 5963 6440 1 1 1 1 1 1 11171 1 1 1 1 354.0404@0.7261141 1 1 1 13126 1 1 1 1 1 1 1 1 1 1 1 16759 1 1 1 1 1 1 1 16245 23113 21555 1 1 1 1 1 1 46805 1 1 1 1 1423.3789@0.7527907 1 1 1 8272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.7803@0.75311327 3330 1 1 5586 1 1 1 1 1 1 1 1 1 1 1 1 1 7983 1 1 1 1 1 1 4649 1 1 1 4919 1 1 1 1 1 9951 1 1 205.0409@0.7963179 1 19203 1 11060 1 1 1 1 1 16975 1 1 1 1 54056 12563 20871 1 10922 1 1 1 1 1 1 24379 1 1 1 1 1 1 1 133525 1 1 57223 231.9787@0.79790866 14730 2953 1 14906 1 1 1 1 1 1 1 1 1 1 26732 3631 1 1 4859 1 1 4138 5008 1 1 1 1 1 1 1 1 1 1 16662 6142 1 1 374.2093@0.81476605 1 1 1 8753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 360.1945@0.8177649 1 1 1 7147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.2536@0.81876445 1 1 1 10161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.2818@0.819764 1 1 1 4136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355.239@0.83730763 1 1 1 9348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.2233@0.8217632 1 1 1 8262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C9 H9 N O4 S3 1 1 1 19432 1 1 1 1 1 1 1 14385 8183 1 1 1 1 1 1 1 8110 1 1 6320 1 1 17017 1 1 2433 1 1 1 1 1 1 1 327.2072@0.82776076 1 1 1 8462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.2543@0.83775663 1 1 1 41484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.2974@0.83775663 1 1 1 32910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.2228@0.8019272 1 1 1 4229 1 1 1 1 1 1 1 14373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.2384@0.841755 1 1 1 31127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.2819@0.84275454 1 1 1 34223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.2227@0.8437541 1 1 1 12104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.2026@0.8467529 1 1 1 3490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.2662@0.8467529 1 1 1 30906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 477.161@0.8507512 1 1 1 3274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.2507@0.8685777 1 13330 1 25514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.2084@0.87007654 1 16613 1 20856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.1225@0.8667444 1 1 1 4029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 391.3661@0.8777398 1 1 1 8414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.2624@0.87873936 1 1 1 38398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.3227@0.87873936 1 1 1 5510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.1216@0.87973887 1 1 1 6325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.9627@0.88354564 1 1 1 2503 1 1 1 1 1 1 1 1 1 1 3278 1 1 4219 1 1 3034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.3072@0.8808576 1 1 1 73981 1 1 1 1 1 7873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 360.3234@0.88173807 1 1 1 71338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443.2911@0.89421016 1 5385 1 64992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3950 1 5067 1 1606 1 1 1 1 1 1 1 346.3078@0.8867359 1 1 1 71550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.2464@0.8867359 1 1 1 32199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.2922@0.88973457 1 1 1 62342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 429.2755@0.88967365 1 1 1 49850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3711 1 1 1 1 1 1 1 1 1 1 1 1 1 434.2311@0.8927333 1 1 1 21673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Undecylprodigiosin 1 29465 1 46243 1 8329 1 1 1 7564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9940 1 4743 1 1 1 1 1 1 1 1 1 318.2767@0.91219157 1 41113 1 68061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17232 1 1 1 1 1 1 1 1 1 1 1 420.2157@0.9125251 1 11396 1 33851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4810 1 1 1 1 1 1 1 1 1 1 1 C9 H6 N3 O6 S 1 1 1 31535 1 30748 1 1 22134 58745 67820 43619 29771 39687 20136 18541 66163 35331 32981 66222 28326 1 1 37211 16067 50692 35146 37170 23301 1 19503 1 30760 25394 1 1 32069 3-Hydroxy-4-methoxyphenylacetic acid 1 69145 1 48471 1 53368 1 1 39405 88263 104358 41878 46862 43698 27939 26301 107043 51745 44318 115548 29826 1 15604 49684 1 66727 55287 72549 33878 1 25031 1 36277 37626 1 1 43275 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53932 1 1 16589 17026 16333 1 50480 23164 88647 20925 1 1 46874 1 34601 1 35045 1 45597 125821 29264 1 41496 1 20028 40603 17904 24834 59552 1 1 750.5521@1.0736499 1 1 1 48909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 829.6021@1.0736499 1 1 1 12656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365.3654@1.0732293 5379 9746 1 4966 1 1 1 1 1 7374 1 8225 1 1 1 1 4176 1 1 6047 7954 1 1 8339 1 4645 1 5988 1 1 7408 7558 1 6097 6772 1 1 574.2778@1.0736499 1 1 1 5354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PG(18:1(11Z)/18:1(9Z)) 20044 1 1 14486 1 1 10836 9787 1 1 11637 1 1 1 10769 1 1 8553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12137 9808 664.5682@1.0772758 1 1 1 13942 1 1 3877 1 1 1 1 1 1 1925 1 1 1 1 1 1 1 1 1 1 1 1 5119 1 1 1 1 1 1 1 1 1 1 CE(20:4) 1 82096 1 46479 37245 75807 1 1 1 1 32184 24793 45616 21926 1 1 1 1 1 33601 33035 1 36866 27533 1 1 1 1 15644 44948 32746 34249 51444 1 61752 1 1 C37 H75 N O2 S2 54661 20183 1 27717 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1 1 1 1 1 1 9486 1 1 1 1 139303 1 1 1112.8767@1.1056341 1 1 1 2969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 821.7437@1.1100092 1 1 1 27808 1 1 1 1 1 1 13283 1 9051 1 1 1 1 1 12933 1 1 1 10969 1 16524 18179 8731 1 1 1 1 1 1 1 1 1 1 605.3826@1.1066337 1 1 1 15595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 632.3222@1.1066337 1 1 1 1705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106.9237@1.1079489 1 3296 1 2360 1 1 1 1 1 1 1 1 1 1 1 1 1849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 617.5739@1.1056151 1 9426 1 15208 1 6676 8712 36643 13318 15816 9557 12549 1 4075 9057 11385 1 1 5774 9183 5438 1 1 1 1 1 6543 7432 5666 1 7826 1 1 4894 9769 1 7111 659.4638@1.1232313 1 1 1 52321 1 1 1 1 36331 1 1 5882 1 1 1 1 15322 1 1 12486 1 1 16915 1 34137 1 1 3273 1 1 1 1 1 1 6084 1 1 475.351@1.0973194 44771 1 1 65808 1 34861 70432 72163 68973 1 1 1 1 1 1 39144 1 42903 1 1 1 1 27941 1 87178 1 1 1 35571 1 1 1 1 1 16253 100290 1 704.612@1.1106316 1 1 1 2161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 729.5016@1.098609 1 1 1 5679 1 1 1 26104 1 1 1 1 1 1 10493 1 1 1 1 1 1 1 1 1 1 20480 1 1 1 1 1 1 1 1 1 1 1 716.6127@1.1137981 16834 1 1 27305 1 1 1 1 1 1 1 9477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 591.3664@1.1149603 1 1 1 20895 1 1 1 1 1 6644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13784 1 1 1 1 1 1 1 1 1 1 1 511.4079@1.119466 1 33107 1 85764 1 16230 1 1 1 19522 1 1 1 1 1 1 11998 1 14439 1 1 1 33185 1 1 29803 1 1 1 1 17124 1 1 1 1 1 1 443.2509@1.1264876 1 1 1 11143 1 1 1 23645 1 1 25392 37595 45357 1 119391 24722 1 42890 1 1 1 55368 24559 1 1 1 1 1 1 1 1 1 1 1 1 13633 62826 433.3755@1.1141472 1 1 1 13667 1 12755 1 1 14476 1 6780 1 1 1 1 6796 5693 1 1 1 1 1 5349 1 1 1 14149 1 1 1 1 1 1 1 1 13340 1 661.5995@1.117907 1 1 1 5987 1 1 5751 14137 4589 7532 6627 1 4606 1 1 13468 1 10317 1 1 2201 1 1 8658 5161 1 1 1 3347 1 1 2987 1 1 7699 1 1 1206.3232@1.1107197 1 1 1 25580 1 1 1 1 1 1 1 18587 4993 1 1 1 1 13079 1 1 1 1 1 1 1 24423 1 1 1 1 1 1 1 1 1 1 12476 C14 H34 Cl N5 O7 1 1 1 11336 1 1 1 1 17304 19956 29641 1 1 1 17694 1 11052 20576 1 1 16462 13511 1 1 18595 1 1 23908 11466 1 1 13039 26635 15488 33966 1 1 607.5533@1.115644 1 1 1 7231 1 1 1 1 1 1 5159 1 1 1 1 1 1 1 1 1 1 1 10646 6815 1 7489 1 1 1 1 7855 1 1 1 1 1 1 451.3514@1.1041911 1 1 1 14275 1 1 1 1 1 1 1 1 1 1 5359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.3352@1.160838 1 1 1 112708 1 1 1 1 1 1 1 1 9740 7835 1 9231 1 5748 1 1 1 1 1 1 1 1 1 1 1 1 1 12270 1 4910 1 1 1 1201.3256@1.1155747 38082 226194 1 250119 1 1 192151 1 1 1 1 213643 110930 35537 147727 161784 114968 229537 12979 63849 145629 78250 1 170995 41943 280059 148510 18649 18498 1 160857 189251 1 45223 40467 1 142268 312.2656@1.1209419 1 24803 1 16631 39914 1 21928 1 1 1 1 1 21695 1 1 1 1 21484 1 1 21959 21508 1 27346 26215 29300 27946 1 1 1 23992 1 20837 1 24496 1 32130 475.4584@1.1186277 1 1 1 18622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ceramide (d18:1/24:0) 1 1 1 16261 4209 1 5226 14065 1 1 6279 21905 4077 1 4615 14089 8850 26754 6609 5997 1 4549 1 13682 5602 21426 3150 10382 5179 1 1 1 1 1 19909 25082 18603 Cer(d18:2/16:0) 1 1 1 14979 1 1 1 1 1 11525 1 10539 9046 5993 5019 9525 7189 10836 1 5159 6088 1 1 10264 5474 12605 4317 4207 6660 1 1 17124 1 1 11128 1 1 C42 H80 Cl 11150 23159 1 21767 41921 14457 18751 1 24954 16166 18038 20207 15894 10137 13867 14081 14543 23356 6850 10939 6680 7475 16440 8055 18255 18209 10353 10779 10942 1 15089 14442 10358 18365 21127 23923 14075 C24 H35 N O 1 24432 1 37406 1 20814 1 1 1 35985 1 1 1 1 1 1 1 1 1 1 1 1 1 23736 1 1 1 19126 1 1 1 25075 1 1 37687 1 1 C40 H86 Cl N4 O2 S 1 1 1 16704 1 7135 1 13819 3548 12675 1 14333 1 1 1 9878 1 18094 1 10952 1 9501 1 1 1 1 1 4568 1 1 1 9219 1 9642 18885 20311 23643 4,4-difluoro-1?,25-dihydroxyvitamin D3 / 4,4-difluoro-1?,25-dihydroxycholecalciferol 32442 44581 1 42989 70259 54574 23751 1 67026 1 58587 1 1 45814 17246 55502 1 40269 38802 1 1 30485 44166 46649 1 22498 15681 27399 32654 1 35277 41341 1 31126 52041 42443 11652 C19 H41 N11 S 15171 25500 1 9220 39274 40002 20696 27891 45695 37616 39121 32134 23031 26868 1 21161 7258 36893 1 1 8854 1 16885 15509 36194 31632 7454 13921 9983 1 11070 14368 31154 11567 12418 9615 1 466.292@1.1298485 1 1 1 8125 1 1 1 1 27899 1 1 1 1 7006 1 1 1 1 1 1 1 1 1 1 28180 1 1 1 1 1 1 1 1 1 1 1 1 430.3355@1.12599 1 1 1 10049 1 1 1 1 9092 1 1 1 1 7376 8792 1 1 1 1 1 1 1 1 9497 1 1 11998 1 1 1 1 1 1 1 8678 1 7627 676.5292@1.1019998 1 1 1 2597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16744 1 1 1 1 1 1 1 1 1 1 1 1 302.2814@1.1158905 1 11677 1 10732 1 1 1 1 6778 1 1 1 1 1 1 1 1 1 8371 1 7517 7115 1 1 1 1 1 1 10234 1 1 1 6799 1 8775 1 1 684.569@1.1236267 8265 17018 1 13399 1 1 9756 1 1 13363 1 1 10706 1 1 1 11101 1 8687 1 10961 7302 1 1 1 1 8754 11152 10126 1 1 1 1 12387 12949 1 1 256.05@1.1242343 62906 69571 1 105402 1 30916 32593 34336 1 1 1 1 1 81243 62310 44645 1 41177 1 1 1 54050 54461 52652 85707 64214 1 1 1 1 1 43973 1 1 1 1 1 423.319@1.1246246 1 1 1 115476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447.3219@1.1219312 1 1 1 43499 1 43480 1 1 45983 1 1 1 1 28470 1 1 21740 1 23413 1 1 1 47651 1 65313 1 1 46144 1 1 19580 1 55886 1 17685 1 48205 DG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 1 1 1 16085 14273 15049 14901 1 14304 18309 13044 1 14805 15493 20193 14594 16807 15179 18567 13993 13265 12197 15116 14081 22677 1 18531 15878 16972 1 15010 15433 13824 17523 17990 11815 12773 PGE2 105894 1 1 71994 203742 1 1 78905 1 16732 1 1 123499 20526 62422 26912 65202 55388 40468 1 1 104275 1 1 43224 93180 72269 1 63336 1 1 1 1 1 8105 31521 1 593.5758@1.1256242 1 1 1 8418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 835.7586@1.152768 1 1 1 3386 1 1 1 1 4441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9107 1 1 1 1 1 1 1 1 1 1 1 521.3965@1.1266236 1 1 1 26197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447.171@1.1266236 1 1 1 8182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.4299@1.1308992 1 1 1 10072 6771 1 1 1 1 1 7390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3470 1 1 1 1 522.3551@1.1223849 46454 1 1 5098 7994 1 1 1 1 1 1 1 1 1 1 6081 1 35122 8915 4957 1 1 1 1 1 1 1 1 9195 1 1 1 1 1 1 1 1 377.3111@1.1286227 1 1 1 20629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 926.8125@1.1645138 1 1 1 2029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9787 1 1 1 1 1 1 1 409.3035@1.1286227 1 1 1 136977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.2766@1.1357112 1 1 1 419027 1 1 1 1 1 1 1 1 455748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10232 1 1 1 1 390583 361605 1 1 519.5008@1.1275071 1 1 1 4612 1 5833 1 5866 1 1 1 1 1 1 1 2754 4183 4231 6032 1 1 1 1 3944 7603 4645 1 1 4270 1 1 1 1 1 1 1 1 517.3615@1.1219603 61225 1 1 18563 20961 19641 1 96124 17526 1 15512 20925 1 18429 51531 1 1 1 1 1 1 1 1 1 1 132381 1 1 1 1 1 1 1 1 1 52587 91134 457.3761@1.1280857 1 1 1 5561 1 12893 1 1 1 1 1 23595 1 1 1 1 1 1 1 1 1 1 1 20008 1 1 1 1 1 1 1 1 1 1 1 1 1 357.2148@1.1241752 1 1 1 12337 1 1 1 13475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 611.496@1.2011403 1 1 1 12101 1 1 1 1 28421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9227 1 1 1 1 1 1 1 622.3706@1.132243 1 1 1 12044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14863 7248 1 1 1 1 2018 1 1 1 1 1 1 341.2205@1.1299113 68598 1 1 25880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18460 603.3988@1.1329149 1 1 1 47482 1 1 1 1 1 1 1 1 1 1 1 1 9870 1 1 1 1 1 1 1 66491 25439 1 9612 1 1 1 1 1 1 1 1 10244 651.5217@1.1316539 1 1 1 12131 1 17378 1 1 1 1 1 1 4646 10202 1 1 1 7116 1 1 1 1 1 9732 1 1 1 1 1 1 1 1 1 1 1 1 1 220.1462@1.1433613 1 1 1 15015 30086 1 48681 30477 18837 27901 17411 1 1 15904 22803 22847 16769 20404 1 21915 1 1 20036 1 1 16190 1 13622 28908 1 1 13278 1 1 13193 30008 1 C10 H9 N O7 S 1 1 1 7123 1 4380 1 1 1 16732 1 7440 4526 1 3433 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2,3-dinor-11b-PGF2? 323565 22144 1 78989 188625 1 112541 107065 1 31929 61542 1 109534 82221 138144 55564 42722 65691 302196 60458 1 133211 1 1 83606 119612 176149 1 1 16163 1 1 1 1 1 111521 117361 589.384@1.1268324 37987 1 1 28250 1 1 1 1 18595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43714 9299 1 1 1 1 1 1 1 1 1 1 1 402.2262@1.2014145 1 1 1 33314 1 1 1 1 1 1 1 19389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 682.3998@1.1366186 1 1 1 3148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.2088@1.1168966 91266 33492 1 87330 113917 1 37923 35470 1 48243 21687 1 107599 80910 116608 110299 75207 117036 103033 113421 59198 103443 1 97475 1 108325 112638 108513 98914 1 1 1 1 1 1 1 27545 537.4287@1.0936294 1 1 1 16027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8480 35666 1 1 1 1 1 1 1 22936 1 1 1 1 1 1 1 1 425.3855@1.1376181 1 1 1 5250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.4241@1.1376181 1 1 1 35306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 509.3986@1.2177409 1 1 1 32751 1 1 1 1 1 1 20410 9740 10734 1 1 1 1 1 1 1 1 1 1 1 1 1 11599 1 6171 16233 1 1 1 1 1 1 1 519.1893@1.1376181 1 1 1 1358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 523.4118@1.174898 1 1 1 18446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17358 1 1 1 1 1 1 1 1 1 1 1 392.2527@1.1352117 1 1 1 17459 63736 34664 1 1 1 1 1 1 15469 1 1 26915 24734 1 36332 1 1 34565 17361 1 1 1 1 14585 1 1 1 13061 1 1 1 1 1 325.141@1.1386176 1 1 1 9989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365.2813@1.1273959 1 1 1 10422 1 1 1 1 1 1 1 38602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C25 H47 Cl N8 O 1 28898 1 17806 1 22577 1 13335 30566 20045 27990 26634 30388 28449 24752 1 22677 1 28175 26586 38921 1 23632 30443 23505 16807 29015 20643 16305 1 21903 1 1 19518 11142 24589 1 246.2189@1.1393162 31486 31678 1 12009 8844 1 1 1 1 1 11194 1 1 10533 1 1 10825 13916 1 1 13145 17885 3841 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37000 19197 18366 Diethylene glycol 89268 1 1 85486 67104 156597 59473 74825 1 46911 71848 92212 57084 1 1 88059 49899 1 74096 1 58727 91761 22925 58208 50148 78325 77318 40554 39395 103921 64362 1 1 58278 53681 51930 47219 346.1464@1.5908276 5326 1 1 5381 1 1 1 1 1 1 1 1 6715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1756@1.5946171 17047 1 1 37404 63431 14043 1 17090 1 15163 80060 1 10801 1 1 53786 1 1 1 1 10033 1 1 14030 18851 32624 1 1 1 22891 56728 1 1 1 1 13445 1 C18 H41 Cl N3 O2 1 11534 1 14341 72384 10784 14318 1 14152 8281 1 1 8940 28839 9068 9022 21176 1 18703 6569 11190 9869 25787 1 10156 1 15040 1 11650 2702 1 14261 1 6612 9949 1 9711 314.1853@1.5873647 1 1 1 17797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 429.2206@1.5683343 1 1 1 16679 1 4068 1 1 1 7689 6078 1 1 1 1 1 1 5594 1 1 1 1 1 7420 6960 7501 1 1 1 5889 11177 1 1 1 1 1 1 2-Fluoroaniline + 1.5872291 78134 1 1 78280 93936 58266 67789 61995 25703 67895 109627 1 32707 28784 1 95992 1 1 46418 1 57878 1 1 59560 62797 100047 1 1 27210 76505 97442 1 1 1 16045 61341 52453 C6 H10 S 52782 1 1 62991 60551 34527 43425 36842 1 42541 71798 1 1 18237 1 71369 1 1 1 1 36676 1 1 55346 42022 59962 1 1 16944 54269 57421 1 1 1 20801 39920 36634 Dimethametryn 148506 1 1 143949 189233 95308 132984 126589 1 110675 225501 1 48933 55596 1 204121 1 1 70983 1 101027 1 1 106726 125359 175662 1 1 1 160752 199175 1 1 1 1 131826 110228 219.1158@1.5884517 36129 1 1 38402 45875 24174 31399 1 1 31849 53342 1 17927 17256 1 49399 1 1 17265 1 27197 1 1 29517 30031 52072 1 1 1 38129 47274 1 1 1 1 31690 24081 Ferimzone + 1.587867 40360 1 1 32279 1 22483 29708 25895 11380 25260 49088 1 12891 12168 1 48476 1 1 20157 1 22856 1 1 25993 26832 37920 1 1 1 35941 41429 1 1 1 1 27738 21250 250.03@1.5917482 1 1 1 5768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5304 1 3327 1 1 1 1 1 1 1 1 9853 1 1 1 1 1 1 1 Hemigossypol 114810 1 1 123178 100834 71521 83768 74195 24907 95922 161015 1 42738 37413 1 162100 1 28340 79808 1 84460 1 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17996 1 583.4653@1.6843039 1 1 1 94661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.07@1.6859753 1 1 1 2689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1354 1 1 1 C10 H16 N7 O 1 1 1 75590 1 73098 1 1 1 21664 1 21809 80585 1 1 81529 98953 42545 1 87654 95053 40858 103145 84114 1 68443 1 1 29665 52846 1 54262 1 1 33307 72659 1 174.0796@1.6859694 1 1 1 134101 96027 1 1 151046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319940 457596 1 1 1 1 1 1 1 1 1 1 369.1824@1.6952969 1 1 1 7793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.121@1.6987681 1 1 1 885808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.0324@1.7002938 1 1 1 4184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.111@1.6993961 1 1 1 542860 1 1 30519 1 1 1 1 1 1 1 1 1 1 1 1 1 38812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 569.4496@1.6175275 1 1 1 42762 1 1 1 1 1 1 1 30232 1 29476 1 1 47289 1 1 1 1 1 1 1 59266 1 34445 28733 34364 1 63768 1 1 1 1 1 1 527.4031@1.7042912 1 1 1 524265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.216@1.7064496 1 1 1 9639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13408 1 1 1 1 1 1 1 1 1 1 1 1 192.0901@1.7154547 1 1 1 66287 1 1 73938 1 1 1 1 1 145233 63258 1 197496 91738 1 1 1 1 149845 37227 1 65713 1 1 1 1 1 1 38932 22921 41441 1 141142 1 498.171@1.7088614 1 1 1 12945 1 1 1 1 5432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15995 1 1 1 1 1 1 1 1 1 1 1 1 287.2099@1.7130423 14675 1 1 34539 12008 1 1 1 1 1 1 1 10542 13626 1 1 1 19222 1 1 1 1 18676 1 1 39032 1 1 1 38597 9311 1 1 1 1 1 1 C9 H8 N5 O5 19908 15736 1 8999 1 23933 27919 7278 19056 10715 12909 1 18636 7099 1 18092 13865 1 1 24651 6053 1 7194 16760 1 1 5848 1 10037 1 17692 21728 10792 10894 21201 9634 5516 382.2823@1.7172588 1 1 1 13115 32895 1 18910 8201 1 9740 1 1 1 32744 2571 1 22184 1 1 1 22711 1 18487 14424 1 1 1 1 12582 5968 1 1 1 8109 1 13790 1 372.1031@1.7277263 1 1 1 3032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7204 1 2997 1 1 4786 2937 1 1 1 1 555.4342@1.7272766 1 1 1 99153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 469.2877@1.7312734 1 1 1 13379 1 1 1 1 1 1 1 1 11533 1 1 1 1 1 1 1 1 16962 1 1 8174 1 1 1 1 1 1 1 1 1 1 1 1 731.5037@1.7322733 1 1 1 8708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 713.5294@1.7489432 1 1 1 12092 1 1 1 1 7964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7355 1 1 1 1 1 1 1 1 1 1 C15 H28 N O3 S2 1 12075 1 13935 37471 18458 1 1 9611 15813 61819 1 24734 27672 16731 17706 33505 23606 54777 1 14205 25108 17267 22313 18537 34892 54404 22818 20309 1 17045 1 1 6456 1 1 1 C13 H28 N O2 S2 1 19781 1 20718 82377 27473 1 1 1 1 112256 1 29749 65962 40582 46269 61783 37551 77334 53508 22248 44997 58491 37255 47648 82152 98113 34110 29813 1 28786 1 1 1 1 17960 1 514.3909@1.7462642 1 1 1 237917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.2987@1.7438067 1 1 1 16285 1 1 5600 1 6294 1 8889 1 5678 9516 1 16244 1 1 9247 1 9200 9183 8449 8085 1 1 1 1 7240 1 12822 1 1 1 17567 6530 1 296.1472@1.7492623 1 1 1 192625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0698@1.7612622 63006 1 1 38101 91472 1 14551 1 1 1 23466 1 12860 1 1 1 10280 1 1 1 1 22181 1 1 19003 34691 28832 1 1 1 1 1 1 1 1 1 1 541.4189@1.751739 1 1 1 519690 1 1 1 1 1 7586 1 1 1 1 1 1 11137 1 1 1 1 1 1 8234 1 1 1 1 1 1 24966 1 1 1 1 1 16865 717.4881@1.7582564 1 1 1 15314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.4918@1.7456433 1 1 1 84967 38161 1 1 1 1 1 1 1 1 1 1 23251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C12 H24 N2 O2 1 1 1 56129 59158 1 16300 26175 36868 27985 1 1 42538 64574 1 44534 40705 49085 29636 1 16351 26486 46770 18490 29782 96005 42275 33548 23332 13866 31353 18763 1 1 1 30487 36096 527.4032@1.7798135 1 1 1 650928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29364 1 1 1 1 1 1 741.5599@1.7859895 1 1 1 8535 1 1 1 1 18582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 809.5244@1.7872375 1 1 1 10002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.1936@1.7957398 1 1 1 15224 30030 1 7496 1 21270 1 10285 1 15063 34162 1 16619 11867 30914 1 1 1 18653 1 1 1 45707 15367 1 1 12999 1 25170 1 1 9549 1 11359 368.2665@1.7968937 1 1 1 11646 20299 1 1 1 1 6158 1 1 1 1 1 1 1 1 12257 1 1 1 11737 1 1 7735 1 1 1 1 12648 1 1 1 1 7298 1 354.1891@1.7982304 1 1 1 21480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.2154@1.7957125 1 1 1 640736 58224 1 1 1 1 1 1 1 41822 32471 1 1 24179 32714 1 1 1 1 42616 1 23540 51210 42023 1 1 1 1 1 1 1 1 1 1 655.5236@1.8078319 1 1 1 45288 1 21282 1 1 61782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31265 1 30188 1 1 32523 1 1 1 1 1 14346 1 514.3908@1.81422 1 1 1 326398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149.0476@1.8289567 15993 161761 1 63997 1 1 78054 1 1 186852 1 1 1 59791 1 12975 1 1 1 121424 1 1 1 100497 1 1 112531 65192 58422 1 82883 1 57738 1 1 1 1 641.5076@1.8242133 1 1 1 37194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.0873@1.8275383 1 1 1 11120 1 1 7895 1 1 1 6817 1 1 1 1 1 1 1 1 1 8372 7450 5985 1 1 1 1 1 1 6288 1 1 1 1 1 1 3692 572.4321@1.8272113 1 1 1 13161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.2318@1.8293002 1 1 1 53538 29413 1 16944 1 17073 1 1 15852 33251 34676 1 25335 1 1 21107 1 27622 1 42533 21140 31136 19383 1 1 1 1 22640 1 1 1 17746 1 1 296.1475@1.82921 1 1 1 75867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.2724@1.8326544 1 1 1 9121 4122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3601 8350 8959 1 1 1 1 1 1 1 1 1 1 2874 1 1 1 205.1314@1.8344332 1 1 1 125964 1 26070 1 1 1 1 1 1 1 1 1 1 1 27953 1 1 1 109260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109087 242.0769@1.8251342 18427 1 1 40257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20094 17368 1 1 29275 1 1 1 11179 1 1 1 427.2782@1.8422015 1 1 1 27984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.0131@1.845999 1 1 1 2277 1 1 1 1 1 1 1 1 2359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.4919@1.850196 1 1 1 114528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.9537@1.8605814 5024 1 1 7838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5739 1 727.5811@1.8439763 1 1 1 25193 1 1 1 1 44759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 585.4448@1.8671848 1 1 1 267441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C25 H39 N2 S 1 31005 1 106974 1 1 35013 1 41922 32536 1 36946 69228 62411 35041 1 18203 34314 43757 33066 61705 66911 41917 48860 42798 17273 1 27892 40166 7958 62140 1 1 28940 51071 34899 1 Arg Arg Met 11386 9968 1 8948 1 1 1 8458 1 5471 3451 11480 6498 15011 6186 1 1 1 1 1 4060 1 1 1 1 1 1 7943 6275 7838 1 10411 18267 14888 6088 20469 1 130.049@1.8820833 3821 7104 1 4113 1 1 4330 1 1 7643 11553 1 6848 5208 4226 1 4569 1 1 6311 2406 7937 1 1 1 9428 7126 1 1 1 1 1 3245 5326 4783 1 1 510.9357@1.8792197 3152 1 1 4879 1 1 1 5200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.2254@1.8814747 1 1 1 28951 14566 1 18468 1 1 1 1 1 27202 15019 1 14730 23355 19303 14534 17162 1 1 1 1 1 1 19722 1 1 20150 19816 22530 1 11352 1 16640 1 761.5135@1.8801761 1 1 1 5115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 425.0255@1.8844961 6830 1 1 8208 1 8614 6264 1 7087 8801 8599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7235 6680 1 1 1 5360 437.9947@1.8820764 2903 1 1 2579 1 3332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2478 1 1 1 1 1 1 1 1 1 1 C14 H5 N O3 S2 68939 21677 1 71847 66051 77447 67173 62016 23127 54060 50042 67647 67611 62799 65053 56158 63019 60464 41404 37016 35990 1 50234 54968 51839 19144 62014 50747 49897 49385 30247 70814 42208 1 41320 55138 51255 471.0311@1.8943319 6297 6099 1 8016 4695 1 1 1 1 1 1 1 1 1 1 1 1 6236 1 1 1 1 1 1 3776 1 1 5534 1 1 1 1 6848 1 1 1 1 361.9816@1.8841482 1 1 1 3304 1 4173 2536 1 7233 1 7209 1 3498 1 1 1 1 1 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1 1 1 1 1 1 1 1 1 5145 1 1 1 1 1 1 729.4352@5.2610235 1 1 1 3024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.3408@5.270903 7114 1 1 16874 1 1 1 1 17675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.0118@5.2670956 1 1 1 9166 1 1 1 1 6908 1 1 1 1 1 1 1929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.6756@5.2708983 3845 1 1 12893 1 6887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4574 1 1 1 1 1 5657 1 548.8386@5.2750196 1 1 1 3355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C40 H61 N O3 S2 7066 46582 1 36130 29936 34794 1 26953 32658 30132 33487 34090 32475 34374 1 28763 1 1 1 33163 32718 30087 31087 6040 34680 32850 30587 34843 29743 11408 21109 29355 1 1 14413 31954 32424 869.9939@5.301012 1 1 1 2410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 689.4237@5.315008 1 1 1 2174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.0288@5.329862 1 1 1 31096 1 17031 1 1 22655 1 1 1 14907 14561 1 1 1 12772 1 1 1 1 1 1 20043 18454 1 1 1 1 10192 1 1 1 1 1 1 767.0409@5.3327084 1 1 1 10570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3490 1 1 1 1 1 1 1 480.2918@5.336003 1 1 1 3482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 865.5696@5.3692894 31830 1 1 17493 58329 1 1 1 1 1 1 56338 73756 112962 4962 137139 1 73729 102359 39780 1 109357 1 1 67905 1 147152 1 28114 1 41033 1 1 1 46952 71740 102900 317.2201@5.302446 1 1 1 21562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 459.2827@5.3450003 1 1 1 35589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.6853@5.3509727 1 1 1 14097 1 1 1 1 11319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6236 4917 5270 1 1 5376 1 1 1 749.02@5.3519983 1 1 1 2404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C21 H51 N18 O4 S 1 1 1 97137 70046 1 1 1 46154 1 28671 1 54364 65432 28662 37544 35906 46328 19664 25241 1 103727 74563 1 29623 58492 45893 1 1 23332 1 42310 1 1 1 1 1 784.4778@5.3729515 1 1 1 2479 1 1 1 11474 1 1 5038 1 3367 1 1 1 1 1 1 5477 1 5817 1 1 1 1 1 1 1 3377 1 1 1 1 1 1 1 360.2401@5.3719625 1 1 1 4189 1 1 3809 1 3677 1 1 4535 3821 1 1 1 3139 1 4193 3756 1 1 3288 1 1 4047 1 1 1 1 1 1 1 1 1 2890 1 424.3656@5.3699937 1 1 1 10451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C44 H58 O S3 15629 1 1 20689 27005 1 27709 10344 1 1 1 1693 1 1 20590 8740 7589 34136 1 1 1 8059 1 1 27108 1 21056 1 1 38200 1 1 1 1 1 11032 14490 875.5857@5.3975453 19044 1 1 21814 1 1 1 1 1 1 30537 1 1 1 36896 1 1 1 23552 1 1 1 1 1 1 21459 26969 1 1 1 1 1 1 1 1 260591 128798 129.1012@5.3903866 1 1 1 29065 1 1 1 1 1 1 1 1 38534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 768.0371@5.396987 1 1 1 3206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.7042@5.4061313 1 21818 1 35904 14915 1 1 1 1 16094 17048 1 1 13974 15822 17297 1 1 1 15614 1 18418 1 16989 24338 19635 25672 1 1 9271 1 1 1 1 1 8869 1 509.0263@5.421051 1 1 1 44447 1 13842 13447 1 23664 1 1 1 1 16325 16761 12713 1 14287 15509 14537 15532 1 1 15550 27524 1 1 1 19097 1 1 1 1 9471 1 1 1 508.6916@5.4214234 1 24055 1 60564 1 19035 18922 1 1 18233 18928 15667 19224 18320 1 17964 1 19987 1 16631 1 22254 16714 18058 34271 23318 25900 1 24059 18951 19615 17428 1 1 14825 1 20627 PE(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) 70644 128552 1 144215 1 1 1 62592 1 81724 1 85847 82911 93055 48989 72203 69774 66596 1 1 71706 1 80837 99598 86522 1 79228 79804 85591 68819 1 82933 77320 1 1 1 65263 903.5907@5.4127064 1 1 1 4263 1 1 116008 1 1 10284 54748 1 66359 60054 1 55214 1 90790 55473 30698 1 44867 36906 1 1 1 9292 1 37981 1 1 1 1 31264 22883 125005 371701 456.4034@5.421131 2233 1 1 16494 1 1 1 1 1 1 1 1 6460 1 1 1 1 1 1 1 1 1 1 1 1 8672 1 1 1 4675 1 1 1 1 1 1 1 801.5354@5.4315677 1 1 1 25745 1249837 1 1 1 1 1 1342816 1 1 1 1066144 1057449 1 1 1 1 1 147219 1 1 1 42383 1 1 1 51194 1 1 1 1 102138 109361 1 795.5334@5.4927382 1 1 1 18155 1 1 1 1 1 1 1 1 1 1 1 374810 1 1 1 1 1 329618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C21 H44 N5 O2 5190 1 1 65517 1 1 1 40408 1 1 16907 1 1 1 28900 21547 1 18316 23451 19671 18815 1 18957 26463 1 34889 25188 1 19703 9552 1 1 19352 1 21045 1 29084 907.6231@5.418362 27750 1 1 13249 1 1 80169 113433 1 1 16071 2630 9367 1 1 1 20267 101636 52795 19794 1 24449 19121 1 1 1 29646 1 1 60357 1 1 1 9397 1 74914 45851 1133.7703@5.442627 12726 1 1 5856 9489 1 65191 68399 1 1 7803 1 1 1 54617 1 1 68374 40990 1 1 7842 1 1 1 17927 52719 1 1 23981 1 1 1 1 1 45569 44912 300.2777@5.4298964 1 1 1 20955 1 1 1 1 10089 1 1 1 2396 1 1 1 1 1 1 1 1 1 1 1 5401 9363 9388 1 1 1484 4625 1 1 1 1 1 1 895.5309@5.4105315 11401 215432 1 40329 1 170251 1 1 1 1 107771 152318 153166 113516 1 133059 94875 1 1 119245 206925 1 106908 190670 84315 1 1 92334 110524 1 216098 216500 196358 147146 201772 1 279779 879.5921@5.4323483 70631 37661 1 38232 1 1 163156 146654 39775 1 109206 1 36600 75462 90425 1 1 143350 100088 1 1 1 76709 1 116548 45440 169851 1 54957 148469 1 1 1 48856 1 1 115523 861.6021@5.411193 1 126340 1 145454 981829 1782209 65089 27136 1 53538 40398 66283 45487 1 1 1 34730 1 1 65273 1 1 50218 74543 1 1 91193 92626 19339 12120 74012 89509 54384 90358 1 484384 1 875.6356@5.431898 381829 23073 1 78209 1 65926 666649 814632 1 62449 270286 36571 108946 99799 1 308290 178127 668560 1 1 1 263676 175195 65649 127050 1 1 1 138196 419454 1 76837 41435 43377 113293 1 1 840.5688@5.450354 292452 1 1 55959 1 1 1 1 1 1 1 1 1 1 290822 1 1 1 1 1 1 1 1 1 1 277447 233354 1 1 1 1 1 1 1 1 1 1 C39 H69 N6 O2 S2 8541 1 1 5638 15660 1 22595 25017 1 1 10428 1 1 5404 10302 10643 1 28767 15455 6206 1 8140 6458 1 1 1 1 1 1 10283 1 1 1 1 1 29523 12934 807.576@5.4517007 1 1 1 644929 1 1 1 1 1.17E+07 2473339 1 1 1 2123346 1 1 1 1 1 1 1 1761030 1 1 1 1 1 1 2036538 1 1 1 1 1 1 1911994 1 864.6186@5.4240813 1 1 1 138025 924075 1501419 1 84105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490430 1 963.6117@5.4366264 1 1 1 2956 1 1 1 45510 1 1 1 1 1 1 1 1 1 1 1 1 1 10897 1 1 1 1 1 1 3015 1 1 1 1 1 1 32400 33018 PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)) 1 150845 1 322421 502307 191295 1 990343 1 185272 625859 245452 257202 483508 924358 855454 458551 1 812588 312182 97804 877869 522405 1 296682 586105 634643 163858 304039 818240 141905 1 1 277597 120498 815068 1567335 827.5435@5.4472814 640335 3691427 1 542925 319060 1 2239859 902819 1 1 1750132 2863809 467395 1 569984 1 1 1159881 1323234 1 1 1 1 1 527726 545041 900342 1 349051 1 1 1 1 321544 1 1 1107173 854.5482@5.4579725 1 1 1 30147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 819.535@5.4472933 1 225354 1 109001 1 39214 1 784342 113406 107353 1 3178 1 276186 192657 272131 1044628 1494837 241614 203863 275138 250740 1 153940 227666 1 245227 1 112025 155821 5652 1 227321 1 1 221593 230491 855.5672@5.4284515 361143 1 1 185982 427428 40319 1 1 471303 1 359819 1 1 1 1 1 1 1 1 270942 21527 380664 615210 1 1 1 1 493486 1 1 398345 1 1 1 488946 579878 312867 939.5414@5.449108 1 1 1 16303 1 1 1 1 1 1 1 1 1 1 20065 1 1 1 18099 1 1 1 1 1 1 1 1 1 12789 9430 18153 1 1 1 1 1 1 891.6453@5.4473133 6807 336326 1 85196 1 351024 86331 99633 1 1 1 779407 381620 1 42809 286337 249883 75217 81190 211531 424657 270744 508938 360361 106910 46763 1 427964 304100 128161 400151 523234 615093 327728 321394 66724 124998 389.7735@5.4660034 1 1 1 4298 28683 1 1 1 1 1 12154 1 1 1 1 1 11316 1 6944 7112 1 2502 1 1 1 1 6298 1 1 1 1 1 1 1 1 14146 1 834.5951@5.4739695 1 1 1 330072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 858.5863@5.4375677 1 1 1 42794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55094 22170 1 1 1 1 1 1 1 39413 1 1 1 1 47825 843.5948@5.4255877 309170 1 1 109717 1 1 408443 143441 1 1 129615 1 1 1 107460 147600 1 283901 117256 1 1 106861 110489 1 23193 82138 1 1 70439 112007 19728 1 1 104499 1 284432 148895 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z)) 1 44195 1 62069 1 40094 1 1 270160 1 29118 1 28365 1 1 1 57876 917138 1 22283 1 43484 1 28706 1 319514 363509 28302 19910 134007 31589 1 124909 1 1 1 1 533.0456@5.492252 1 1 1 87686 1 29045 1 32703 34362 1 27619 21171 20796 1 1 27242 1 1 1 1 1 1 24254 1 42865 39003 47747 23996 34618 1 24877 1 1 1 1 25439 1 778.5337@5.4937444 1 1 1 32038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71011 1 1 1 1 1 1 25092 1 1 1 1 1 1 1 1 1 1 533.3802@5.4966574 3541 1 1 42772 1 12970 1 1 20247 1 1 1 1 1 1 1 1 1 17181 1 11845 1 1 6202 23801 1 1 1 15888 5483 1 1 1 1 1 1 1 428.3722@5.5089617 1 1 1 57979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.3189@5.5131054 1 90671 1 204647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.2753@5.510961 1 1 1 7803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 792.0477@5.5033545 1487 65798 1 40789 1 1 1 1 1 125755 1 40423 110057 86221 1 1 81379 1 1 44377 146554 1 99635 153630 1 1 1 70606 1 21264 1 128875 102450 1 72076 1 1 776.54@5.509741 1 1 1 183637 1 1 1 1 71356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43060 1 1 1 42032 57650 1 1 1 38929 47453 44135 1 1 356.2286@5.520007 1 1 1 24767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 695.43@5.5232377 1 1 1 64118 69486 1 26740 1 1 1 19238 1 34188 40456 1 17895 1 29372 20805 1 1 73198 44320 1 1 46523 1 1 1 10264 1 22721 1 1 1 18519 24354 523.3668@5.514295 1 1 1 52202 1 18375 1 1 27717 1 1 1 1 1 21028 1 1 1 1 1 17374 1 1 1 31005 1 28800 1 1 1 1 1 1 1 1 1 1 983.5244@5.5964117 4792 4988 1 5293 1 1 1 1 1 8360 1 36762 9988 1 9682 1 1 1 8682 1 3664 1 1 1 6301 1 1 1 1 1 1 1 1 1 1 1 1 523.7015@5.515849 9659 1 1 39405 1 1 1 1 18550 1 4772 1 1 1 1 14044 1 1 1 1 1 1 4211 1 21968 1 1 1 1 1 1 3330 1 1 1 1 1 348.1582@5.517408 1 1 1 6740 8529 1 1 1 1 1 21690 1 12874 1 1 1 1 1 1 1 1 72158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 772.5454@5.4814577 1 1 1 220401 1 1 1 1 1 1 1 1 1 1 169261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 829.5925@5.5164886 1 1 1 59957 1 1 1 110795 1 1 1 1 1 1 490547 1 1 1 1 1 1 1 1 1 730895 198229 437509 1 1 1 1 1 1 1 1 1 1 841.6291@5.5152364 78998 1 1 193423 1 1060532 1 327332 831663 1215697 1094138 1 622995 808845 251560 576647 756250 559773 771389 1254911 1106350 1 734503 1474353 231263 253936 237964 790684 851361 177626 869895 750844 952511 827710 1233685 984939 534628 797.0514@5.4963565 1 1 1 15762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6762 1 1 1 1 1 1 1 Pedunculagin 1 1 1 6770 1 25675 1 6226 1 38108 19524 1 30120 26757 1 30579 1 1 1 31259 54451 27618 21789 1 1 1 1 35725 67466 25378 1 41685 45705 8260 58335 1 1 793.5273@5.5160513 1 1 1 334784 1 1 1 1 1 1 1 1 1 1 1 125683 140478 1 814459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.5324@5.528958 1 1 1 5467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.5202@5.5426784 1 1 1 6689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11055 12073 1 1 3040 1 1 1 1 1 1 1 860.642@5.5387945 1 1 1 12584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24433 1 1 1 1 1 1 1 1 1 1 868.6494@5.5427103 1 1 1 58908 1 108129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53299 1 1 1 1 567481 1 1 773.5578@5.5298133 1 1 1 724925 4320553 1 1 1 1 1 1185848 1 1 1 1 1 1 1884350 1 598182 1 1633413 1 1 2151225 1 1 1 395927 1 1 64082 95421 551074 1 1 1334531 783.5768@5.510349 2228748 1 1 2345582 2.97E+07 2.32E+07 1.29E+07 3720806 2.31E+07 1.45E+07 1.97E+07 1.40E+07 1.14E+07 1.47E+07 2627308 1.04E+07 9312135 9775986 7595783 1.94E+07 8136348 1 1 1.63E+07 2339356 2697486 2767642 1.60E+07 8860440 4083684 1.78E+07 1.16E+07 1.06E+07 1.48E+07 1 1.80E+07 5214747 236.9664@5.565305 5515 1 1 2275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 940.5239@5.5207443 27109 1 1 35074 1 3379 1 1 1 1 5438 1 1 1 1 1 4801 1 1 1 1 1 1 1 1 29658 1 1 1 1 1 1 9547 1 1 1 1 927.6549@5.4838123 8487 1 1 4110 1 1 41640 48184 1 1 15629 1 1 1 1 16919 1 78225 64477 1 1 1 1 1 32477 1 77550 1 1 2891 1 1 1 1 1 38608 30479 378.2746@5.536319 1 1 1 21300 109319 1 23083 1 1 1 27416 1 16812 29608 1 1 33679 29257 32236 1 1 40687 23150 1 43733 58235 47238 1 1 1 1 1 1 1 1 1 30063 938.5474@5.5436506 1 1 1 4713 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 816.6182@5.56995 1 1 1 678187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.1212@5.575105 10787 1 1 12173 1 1 1 5474 1 1 1 1 9774 1 5986 1 1 1 1 1 1 1 1 1 1 6291 5078 1 1 1 1 1 1 1 1 1 1 978.5687@5.591968 6705 1 1 26103 1 1 1 10519 1 24146 16027 1 8859 22161 11213 21500 6747 1 18649 16776 24688 1 18891 12766 20762 1 1 31867 35360 6029 17708 23447 20200 13941 1 1 14354 1032.5833@5.5804243 1 1 1 4621 1 3519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121.659@5.5954666 1 1 1 8485 1 1 1 1 1 1 1 1 1 1 1 1 11929 1 1 1 1 2148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1051.555@5.5904965 1 1 1 19264 1 1 1 16158 1 1 8992 1 10754 1 14416 1 1 1 1 1 1 10580 1 1 1 6074 11768 1 1 11897 1 6001 1 15485 14533 11402 1 293.9928@5.607415 1 1 1 16354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 732.5492@5.636819 1 1 1 116082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11714 1 1 1 1 1 1 1 812.5663@5.5949464 1 1 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1 1 1 1 1 11369 448.9519@7.27706 1 1 1 5099 1 1 1 1 1 1 1 1 1 3119 1 1 1 1 4068 1 1 1 3590 1 1 1 1 1 2922 1 1 2723 1 1 1 1 1 503.2574@7.303552 1 1 1 4024 4155 2392 1 1 1 1 1 1 1 3777 1 1 1 1 1 1 1 8096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 624.1608@7.295538 1 8503 1 12666 1 1 1 1 1 1 8341 1 1 1 1 1 1 1 1 11251 1 10438 1 1 1 1 1 1 1 1 1 1 1 12683 1 1 1 611.7949@7.2944775 1 1 1 14355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37058 1 24707 1 1 1 1 1 1 1 1 1 1 1 27660 1 1 1 808.3988@7.295074 1 1 1 63687 1 1 1 1 1 1 48621 1 31856 1 1 1 1 1 1 242129 1 154105 1 1 1 1 1 1 1 1 1 1 1 135586 1 1 1 232.9948@7.2963133 10981 17955 1 16183 14175 12981 1 8279 11813 13372 1 13386 1 11369 1 1 10493 1 9073 1 9214 1 1 6023 7036 1 7694 1 1 1 1 1 1 1 1 1 1 647.3046@7.295402 1 1 1 12512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14898 1 1 1 1 1 1 1 1 1 1 577.3403@7.29938 1 1 1 8846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23167 1 1 1 1 1 1 1 1 1 1 LysoPE(0:0/16:1(9Z)) 12837 12137 1 14867 13476 9857 1 9735 13648 9042 10740 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4662 7373 6430 1 7335 156.1151@1.1125873 106326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.1312@1.1598608 23419 1 1 1 1 18047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.2285@1.1093378 30264 1 1 1 1 1 8240 1 1 1 1 1 1 1 1 1 1 1 10026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 660.5012@1.1135867 45216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.1857@1.1430408 56930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197105 1 1 1 1 1 1 1 1 1 207166 5163 1 1 1 1 1 1 1 652.4338@1.0595187 8628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40799 1 1 1 93350 1 7784 1 1 1 1 1 1 1 1 1 1 1 695.4542@1.1193522 12518 1 1 1 1 1 1 5312 1 1 1 1 1 1 6399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 657.4822@1.1357664 531065 1 1 1 48066 1 53008 71171 1 1 16370 8169 1 1 86779 1 1 26135 58167 1 1 34860 1 1 1 64370 45259 1 1 1 1 1 1 1 1 28833 37985 705.4662@1.1358048 143052 2357 1 1 1 1 1 27801 1 4063 5538 1 1 1 21588 1 1 18567 13492 1 1 4749 1 1 10576 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1 1 1 42026 1 1 1 1 1 495.1796@1.2994733 1705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 558.3192@1.3044701 1558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.173@1.29761 26354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64529 1 1 1 1 1 1 34860 1 1 1 1 1 1 1 1 1 24933 1 1 1 30242 198.1622@1.3062236 530633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402720 1 1 37848 1 1 1 8012 1 1 1 1 1 17345 1 273.241@1.3064688 2403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C14 H28 Cl N2 13769 11575 1 1 1 7685 1 1 12054 1 10049 1 9431 9752 1 1 8212 9082 1 7408 11530 1 11124 5652 1 8587 10112 1 1 7835 13550 1 4356 5610 6750 1 8569 393.2343@1.3094668 9422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C29 H55 N O8 + 1.3191072 49972 1 1 1 1 1 47550 50049 1 1 1 1 1 1 1 1 56521 1 1 1 1 1 58756 1 48752 1 1 55618 1 1 68597 1 1 1 46022 49008 1 Acetylsulfamethoxazole 14422 17779 1 1 1 13471 20178 1 13661 17298 17450 14244 23684 18713 1 14994 1 1 5198 1 1 21149 12271 12103 1 1 15733 11952 7428 3061 1 12106 11733 10849 1 12388 1 359.053@1.3022648 13410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5744 9204 5360 1 1 4870 7280 1 5928 4348 12012 1 1 1 3963 1 1 1 1 2507 1 1 511.1742@1.3194605 3813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465.3457@1.2494181 2438 9456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49846 1 1 1 1 1 50510 34901 142.0996@1.3214593 17290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.3034@1.3530396 15450 1 1 1 1 1 1 13031 1 1 26698 1 1 1 1 2847 1 1 7418 1 1 1 1 1 11183 1 1 1 1 1 1 1 1 1 1 1 16941 497.3306@1.3294541 2031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.1643@1.332452 5122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.0798@1.3417654 19242 1 1 1 21510 1 17111 1 1 1 1 1 1 1 1 16720 1 1 1 1 1 1 1 1 31264 1 35117 1 1 16949 1 1 1 1 1 1 1 521.2122@1.3364495 3292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.2814@1.3361387 1501 1 1 1 1 1 1 1 1 1 1 1 1 1 1701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3065 1 1 1 1 1 1 1 432.2138@1.349441 11520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.1701@1.3274151 15809 1 1 1 182058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4283 1 66066 73186 1 1 1 1 1 1 1 1 1 1 1 1 1 393.2308@1.3604338 15423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.1264@1.3774227 22058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.2462@1.3794214 3181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.1191@1.3804207 3181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.1826@1.4075133 1856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.2208@1.3957257 4669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6691 1 1 1 1 1 1 1 1 1 1 1 1 395.2514@1.420394 4311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.2988@1.4223926 3097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C20 H35 N4 S3 10406 1 1 1 1 7705 5575 3118 1 1 6530 3183 1 6050 1 1 1 1 1 5310 6483 1 2997 1 1 14226 4986 1 3717 1 9958 7780 1 1 3959 1 4024 396.2121@1.4387512 9923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11465 1 1 1 1 1 1 1 1 1 1 1 1 1 319.2335@1.451373 4148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.1258@1.4541595 57731 1 1 1 1 1 1 1 1 129517 1 1 1 1 99170 1 1 1 1 1 1 1 1 111733 1 1 1 1 1 1 1 1 1 80432 1 1 1 451.2432@1.4593676 11207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 405.3255@1.4623656 5426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.2272@1.4823518 1914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.3009@1.5013386 4354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 737.5269@1.4839683 2030 1 1 1 1 1 1 1 1 1 15154 62199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11484 1 1 1 1 1 1 1 451.2406@1.529319 5083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.1724@1.5347666 2843 1 1 1 1 1 1 1 1 1 1 1 1 1 2463 1 1 1 1 1 2101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.1477@1.5570194 13423 1 1 1 54967 1 1 29824 1 1 1 1 1 1 1 14737 1 1 1 1 1 1 1 1 56472 47848 76477 1 1 1 1 1 1 1 1 1 1 211.1572@1.5412053 75784 1 1 1 1 1 1 1 119799 1 197399 83164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156081 1 73387 1 1 1 1 429.3202@1.5533023 7576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1367@1.5980171 17072 1 1 1 1 1 1 15654 1 1 1 1 1 1 1 1 1 1 8169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.1437@1.5622717 2827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4557 1 1 1 1 1 1 2358 1316 1 1 1 1 1 1 1 460.1728@1.5752866 5197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.1571@1.5683025 68824 1 1 1 1 1 1 1 1 1 1 1 1 102142 1 1 1 1 1 1 1 1 171834 1 1 1 1 101186 1 1 1 1 1 1 1 1 1 222.1467@1.5782845 38839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.0327@1.5822793 2111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.1513@1.5862788 7641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1752@1.5872302 19235 1 1 1 1 1 12398 1 1 14748 27080 1 1 1 1 23006 1 1 10103 1 13791 1 1 18890 14604 1 1 1 1 17693 27156 1 1 1 1 14963 1 292.0442@1.5879858 8756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7574 1 1 1 1 1 1 1 1 1 1 1 556.1162@1.5882773 1764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.2148@1.5400544 24165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4078 8993 1 1 1 1 3680 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1557@1.5926208 9019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8881 1 1 1 1 1 12704 1 1 1 1 1 1 1 1 1 1 1 9415 398.1385@1.597271 1419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213.039@1.6196718 2957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4709 1 1 1 1 1 1 1 1 1 1 408.3235@1.6178708 135274 1 1 1 31028 1 1 5854 1 1 1 1 1 1 25835 1 1 1 1 1 1 1 1 1 13782 115101 236096 1 1 9464 1 1 1 1 1 8738 1 256.0444@1.6301256 25453 1 1 1 1 1 1 1 1 1 1 1 1 1 12212 1 1 1 1 1 1 1 1 1 1 21346 61873 1 1 1 1 1 1 1 1 1 1 265.0523@1.6324719 9606 1 1 1 1 1 1 1 1 1 1 1 1 1 3927 1 1 1 1 1 1 1 1 1 1 17435 1 1 1 1 1 1 1 1 1 1 1 466.3764@1.617959 1813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5778 1 1 1 1 1 1 1 1 1 1 1 278.0264@1.6362083 62020 1 1 1 22750 1 1 1 1 1 1 1 1 1 18120 1 1 1 1 1 1 1 1 1 1 64192 1 1 1 1 1 1 1 1 1 1 1 393.2226@1.6043863 6589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 759.5071@1.5940096 5833 1 1 1 16039 1 57733 1 1 40698 1 1 30557 1 23077 65093 62425 28983 16281 1 1 1 1 1 48062 1 1 47013 1 4761 1 47853 1 1 1 1 1 C11 H14 Cl2 N2 O2 S 2446 1 1 1 1 5317 2846 3120 4010 1 1 1 1 1 1 3868 1 1 1 1 1 1 1 3430 2228 1 1 4569 1 1 1 1 1 1 5566 4661 1 733.569@1.691192 4952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C10 H19 N8 O 30136 49556 1 1 45817 1 53757 40453 55709 55361 70871 53129 1 60511 1 1 1 1 42233 1 1 1 1 1 38548 1 52791 38244 41922 1 59425 1 25442 32131 46197 1 32032 278.0253@1.7071906 2868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1114@1.7172612 21921 1 1 1 1 1 1 1 1 1 1 1 14009 1 1 1 1 1 1 1 1 1 1 24422 1 16022 1 1 9894 1 1 1 1 1 8313 1 1 192.082@1.7382267 28895 77506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C19 H16 N3 O2 30864 5525 1 1 1 11438 10118 1 1 1 11493 1 15167 1 9801 1 3508 9945 1 23259 21200 1 1 26925 1 14479 15602 9604 9875 1 6164 18046 13285 1 11425 7039 1 431.2184@1.7171832 1900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.1119@1.7224344 13570 1 1 1 1 1 1 1 1 1 1 1 13577 1 1 1 1 1 1 1 1 34538 1 1 1 1 25854 1 13921 1 1 8733 1 1 1 1 1 600.4643@1.7899272 3254 1 1 1 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13065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C6 H7 Cl N4 S 5741 1 1 1 4871 9614 2999 9156 10241 1 1 1 2748 8673 3043 9188 2807 4080 4659 1 5763 4278 3349 1 3577 1 6336 3619 4446 1 4368 1 12940 4444 1 5001 9103 386.1777@1.8680686 2180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 990.4922@1.8701266 3858 1 1 1 1 1 1 1 1 1 1 19511 1 20413 4331 12839 12579 1 1 1 1 1 16205 1 1 3376 1 1 1 1 3301 1 5385 6249 1 1 9519 586.2976@1.8836082 4800 1 1 1 12777 1 1 1 1 1 1 1 1 1 1 1 1 1 4082 1 1 1 1 9408 1 1 1 1 4982 1 1 1 1 1 1 1 1 597.4245@1.8803093 6340 1 1 1 1 1 8913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C3 H5 N3 O2 61867 1 1 1 139091 108252 84502 52512 1 1 1 1 112322 87935 89762 63008 1 1 29291 1 55773 157603 57962 1 47656 1 1 1 41967 1 91984 1 53187 98342 1 62330 1 341.241@1.8561139 21404 1 1 1 1 1 1 1 1 1 1 297644 1 1 1 1 1 1 194679 1 1 1 369864 1 1 222245 217376 1 1 1 1 1 1 1 1 1 1 661.2535@1.8924569 6646 1 1 1 25541 3322 1 1 1 1 1 1 4495 1 1 1 1 1 17201 44366 52513 1 1 27426 1 1 1 1 21630 1 1 1 1 1 1 1 1 200.0669@1.8906714 15942 1 1 1 1 1 1 1 1 1 1 1 1 1 21009 1 1 1 1 1 1 1 1 9972 1 1 1 1 1 1 1 1 1 1 1 1 1 372.2664@2.0003479 14771 1 1 1 9727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42016 7514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.0585@1.906039 1769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Dihydrocortisol 14035 1 1 1 1 1 10735 7020 1 1 1 10878 13620 1 1 1 1 1 1 1 10148 1 1 1 1 1 1 1 1 1 1 1 1 1 11500 1 1 288.1764@1.9128132 17559 1 1 1 1 1 34013 8738 1 1 1 1 44588 1 1 8140 22523 1 18337 1 1 11346 1 11531 12867 1 19940 1 18481 1 1 1 1 1 1 1 1 298.1028@1.929021 41143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C17 H22 N2 S2 + 2.0322366 30146 1 1 1 32643 1 19542 1 17492 1 22742 1 18290 1 1 1 5961 14428 1 1 34899 1 1 71042 1 18616 48032 16224 14395 1 1 1 9548 1 10503 1 1 214.1317@2.0295475 54965 1 1 1 46725 1 1 20592 1 1 1 1 1 1 26166 1 1 1 28018 1 1 1 1 1 17724 1 29359 1 1 1 1 1 1 1 1 1 1 301.0986@2.0199814 11485 38071 1 1 1 3851 1 1 1 1 6075 3232 1 1 1 1 1 1 1 7468 1 1 1 20181 21365 1 1 1 1 1 1 1 1 1 1 1 1 426.3162@1.9720628 5634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4804 1 1 1 1 1 1 1 1 1 1 1 115.063@2.0711956 35806 1 1 1 1 1 37278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0507@2.0868952 9103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.2121@2.1158717 21553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 701.5285@2.1478593 19377 1 1 1 1 1 54215 1 1 1 1 1 1 47010 33956 1 68189 1 1 1 1 1 1 56394 65211 1 1 1 35386 14907 1 1 1 1 1 1 1 805.1914@2.1458473 1741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633.1369@2.1788619 8969 4738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10226 1 10087 1 1 1 1 1 1 1 1 1 1 1 1 1 479.1997@2.1468465 2784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 357.1095@2.1492362 3829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.0917@2.147974 10235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 694.2275@2.1504285 3994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7485 1 11938 1 8107 1 1 1 1 1 1 1 1 1 1 1 1 1 506.0861@2.1528327 3433 1 1 1 1677 1 4617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3208 1 1 1 1 1 1 2279 1 1 1 1 1 1 525.2039@2.155204 9996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24573 1 8670 1 6240 1 1 1 1 1 1 1 1 1 1 1 628.1811@2.1529698 12034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.1151@2.166217 3289 14089 1 1 2324 1 3730 1 6058 1 1 1 1 1 1 5520 5822 1 1 1 1 3959 1 1 1 7646 1 1 1 1 1 5263 1 1 1 1 1 480.0895@2.160271 3554 19276 1 1 26128 1 26104 1 1 1 1 1 10848 19898 7601 1 1 1 1 32501 1 1 1 3094 1 1 12428 1 1 1 1 31484 11871 1 1 11471 1 229.0605@2.1528416 2266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574.1675@2.1528416 2053 1 1 1 1 1 1 1 1 1 1 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.1455@2.1593838 99249 1 1 1 1 1 1 1 1 36207 1 1 1 1 1 1 1 49072 1 1 1 1 56814 1 1 1 1 1 1 6052 1 1 1 1 1 1 1 306.1472@2.1624017 9888 1 1 1 1 1 1 1 6302 1 1 5572 1 7454 1 9308 1 1 1 1 1 24310 7714 1 1 1 1 1 1 1 1 5083 1 6956 1 1 1 646.1926@2.1581266 1719 1 1 1 1 1 2501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.1544@2.1632214 42343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Loxoprofen Metabolite (b-D-Glucopyranuronic acid, 1-[a-methyl-4-[(2-oxocyclopentyl)methyl]benzeneace 7163 1 1 1 1 1 1 1 1 1 1 1 1 1 4576 4003 1 1 1 1 3551 12868 1 3727 4547 4989 4383 1 2330 1 1 1 1 1 1 1 1 373.083@2.1664052 3475 1 1 1 1 1 4258 1 1 1 1 3927 1 1 1 1 1 1 1 1 1 2839 1 1 1 1 1 1 1 1726 1 1 1 1 1 1 1 449.1439@2.1618342 1802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.1506@2.1666262 4580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4269 1 1 1 4629 1 1 4566 1 1 1 1 1 1 1 1 3259 1 1 1 1 1 295.1061@2.1757085 4682 1 1 1 1 1 10453 1 1 1 1 1 10565 1 1 1 1 5190 1 1 1 1 1 1 1 1 1 1 1 1 2444 1917 2896 1 1 5612 5351 310.055@2.1797593 9181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10028 1 1 1 1 1 1 1 1 1 1 1 701.5285@2.1662474 15397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39974 1 1 1 1 1 1 1 1 1 1 37279 1 1 1 1 1 1 1 332.8832@2.2107937 1230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.1213@2.2207856 3527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.1213@2.2450945 7849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4733 1 1 27110 1 15556 1 1 6785 1 1 1 1 1 1 1 1 770.5474@2.3086448 2622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27265 1 1 1 1 1 1 1 1 1 1 1 1 141.9919@2.454268 1947 5622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0494@2.567702 96207 1 1 1 1 55366 1 1 1 61338 1 1 1 1 81240 1 1 1 1 1 84963 1 1 1 1 32477 69152 1 1 1 1 1 1 1 1 1 1 296.111@2.679624 21297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71208 1 1 1 188.1308@2.681397 5129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C48 H70 Cl N4 O 23080 1 1 1 1 1 31540 16829 1 1 1 1 1 15152 15841 22608 1 1 20714 1 1 1 14345 1 119294 30044 1 1 1 1 1 1 1 1 1 1 30626 497.281@2.7416618 26405 1 1 1 1 1 25900 1 1 1 1 1 1 1 12091 10766 1 1 16252 1 1 1 1 16032 22634 6791 1 1 11521 1 1 1 1 1 1 1 5339 138.0431@2.7673235 702257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 775.4987@2.7713199 4717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.057@2.7753165 2124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C26 H13 2493 1 1 1 1 1 1 8482 1 1 1 1 3186 7697 1 1 6871 1 1 1 1 1 5622 5688 1 17989 12762 1 7922 1 1 1 3032 1 1 1 1 126.0315@2.778583 105967 1 1 1 1 1 1 1 1 1 1 74199 1 1 1 175543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176190 147300 1 1 1 241.0972@2.7745724 67441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273880 296109 248869 1 1 108878 1 1 1 1 1 1 1 202.0456@2.7927597 270388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82156 1 1 1 829050 874296 1 1 755401 1 1 1 1 2879849 1 1 246.053@2.8152418 20174 1 1 1 34662 1 1 1 1 1 1 1 1 1 1 22822 1 1 1 1 1 1 33104 1 1 1 49139 20036 1 1 1 1 1 1 1 1 1 140.028@2.7757397 5841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6857 8339 1 1 1 1 1 1 1 1 1 1 332.0914@2.7851295 2315 1 1 1 1 1 1 1 1 5095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21824 1 1 1 3082 1 1 1 1 5442 1 1 759.2122@2.8581238 8582 1 1 1 1 1 1 1 1 1 1 11403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15151 1 1 1 70264 1 1 1 431.0251@2.8391035 4509 1 1 1 1 1 1 64174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16119 8307 1 1 1 11805 1 1 1 32720 1 1 1 335.0065@2.7712145 5782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5288 1 1 1 1 1 1 1 489.1133@2.732093 3381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21612 1 1 1 1 20927 1 1 1 1 1 1 1 387.1439@2.8181195 12442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5149 1 1 514.3073@2.8043046 12086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62284 1 14702 1 1 145379 1 1 1 1 40704 1 1 1 1 1 1 1 1 488.1134@2.7367487 1831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29270 9695 1 1 1 1 1 1 1 377.036@2.8242745 2610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0195@2.8138137 7731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7329 1 1 1 1 1 1 1 1 1 1 1 371.0012@2.8242745 1231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 519.2632@2.8148797 6328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19420 1 1 1 1 1 1 1 1 1 9515 1 1 1 1 1 1 1 1 85.0247@2.8735046 7746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2538 6448 3344 1 1 1 3481 1 1 1 1 1 1 1 1 1 1 1 1 7009 1 597.093@2.8357556 4207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2229 1 1 1 22271 1 17802 1 14828 1 1 1 1 1 23111 1 1 1 1 335.0065@2.8847277 10825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6446 1 1 1 1 1 1 1 1 1 1 578.1448@2.8343806 21123 1 1 1 1 1 1 1 1 1 1 1 6678 40957 1 1 52338 1 1 1 1 1 1 20149 1 1 1 1 1 14266 34127 1 53847 1 1 1 1 406.0682@2.7819195 19167 1 1 1 1 1 1 1 5541 1 1 1 1 1 1 1 1 1 9830 1 1 1 1 1 1 1 1 1 1 3388 1 1 1 1 1 1 5472 403.1498@2.798961 26130 1 1 1 1 1 1 1 134353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52611 1 87282 27806 1 19901 1 1 1 1 1 391.0982@2.8456042 42460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35590 1 1 1 23058 1 1 1 760.2132@2.8772411 4165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8956 3492 1 1 1 1 1 1 1 7500 1 1 1 1 1 1 1 1 1 5881 218.0193@2.8652396 9668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0075@2.885485 1301 2738 1 1 1 1 1 1 1 1 1 1 1 2193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 321.9927@2.9408822 2024 1 1 1 1 1 1 1 1 1 1 1 1977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.1389@2.8963926 1640 1 1 1 1 1 1 1 1 1 1 1 2635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 496.2678@2.9141977 8566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.3042@2.9311833 2572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0694@2.9489243 37887 1 1 1 25813 36045 1 1 1 34296 33605 1 1 35753 20879 1 42410 29907 33574 1 1 1 1 1 1 60580 43022 1 1 1 37074 1 1 24968 1 1 1 513.2757@2.9592097 78487 1 1 1 1 1 261987 1 1 1 1 1 1 1 1 1 60606 1 53798 19496 55604 1 1 26942 1 1 1 1 32075 1 1 1 1 1 1 1 1 440.0665@2.9441721 1829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 495.2652@2.9577444 164835 1 1 1 14306 1 1 1 1 1 1 1 18186 1 1 32552 1 1 155584 150226 1 6161 31071 334329 35629 1 1 7727 200019 1 1 1 1 1 1 1 1 597.0931@2.945992 7219 1 1 1 1 6900 1 1 22415 4043 1 1 1 1 1 1 1 15663 1 1 1 1 1 7229 8498 1 1 1 1 11991 1 1 1 1 1 1 1 199.0948@2.9511662 21334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.1429@2.9097815 42193 1 1 1 1 1 1 1 1 1 1 1 156667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19246 1 1 1 1 1 219279 1 335.0067@2.9635086 11227 1 1 1 1 35543 1 1 21215 21838 1 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1 1 9830 1 1 1 1 1 1 1 1 1 1 1 1 1 483.2895@3.6112041 2581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4180 1 1 1 1 1 1 1 1 1 1 1 1 1 1020.5749@3.604626 5171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 998.5927@3.6285472 6424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115539 1 1 1 13806 1 1 1 1 25482 1 1 1 1 1 1 1 1 481.2857@3.6136506 173736 1 1 1 1 1 1 1 1 12763 31904 1 1 1 1 10552 7805 1 220854 150645 95118 1 4909 1 1 1 1 1 280120 1 1 1 1 1 10164 11565 1 543.2604@3.6555696 14624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47414 1 22261 1 1 1 1 2913 5803 1 1 1 1 1 1 1 1 1 1 499.298@3.6683235 27780 1 1 1 21177 1 17183 1 1 1 9305 1 1 1 1 1 1 1 1 65619 1 1 1 183223 1 19890 39638 1 1 1 1 1 1 1 1 1 1 522.2809@3.6524754 6993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C26 H43 N O5 S 15328 1 1 1 1 9681 11409 1 1 1 5648 1 1 1 1 1 1 1 1 170835 1 1 1 84724 1 3633 8743 1 34068 1 1 1 1 1 1 1 11908 514.3073@3.6694381 4429 1 1 1 1 1 4275 1 1 1 1 1 1 1 1 1 1 1 4304 20920 1 1 1 8269 1 1 1 1 1 1 1 1 1 1 1 1 1 C26 H41 N O4 S 20924 9260 1 1 8500 14843 21179 1 1 1 11474 1 22126 1 1 1 1 1 1 388067 1 1 10097 130527 1 1 10141 1 1 1 7539 1 1 1 1 1 4196 271.178@3.7340772 24628 1 1 1 1 1 1 1 1 1 1 19661 94684 1 1 1 1 1 1 1 1 46926 1 34090 1 1 1 1 25610 1 1 1 1 1 1 1 1 408.2121@3.7601023 24427 1 1 1 1 1 1 1 1 1 1 79635 1 1 26217 1 1 1 1 1 27075 1 1 26788 1 1 1 1 32121 1 1 1 1 1 1 1 1 442.2461@3.7701948 3023 1 1 1 1 1 4853 1 4465 1 1 1 1 6089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7292 1 1 1 1 1 3792 3303 301.1076@3.7857137 1699 1 1 1 1 1 1 1 1 2602 1 1 1 1 1 1 1 1 1 4615 2804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.3021@3.833149 30797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21481 1 7805 1 1 38566 1 1 1 1 30007 1 1 1 1 1 1 1 1 557.24@3.833646 11619 1 1 1 1 1 6748 1 1 1 1 1 1 1 1 1 1 1 8317 26203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 513.2759@3.838125 42744 1 1 1 1 1 45861 1 1 1 1 1 1 1 1 1 1 1 28796 247019 5715 1 1 11076 1 1 1 1 12830 1 1 1 1 1 1 1 1 220.0387@3.867453 2060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.2007@3.8893707 7387 1 1 1 1 1 5057 1 1 1 2195 1 1 1 1 1 1 1 1 1 1 1 1 5036 1 1 1 1 5904 1 1 1 1 1 1 1 1 539.2771@3.884413 6084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056.5638@3.9041553 3682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4617 1 1 1 1 1 1 1 1 1 1 1 1 1 1589.836@3.902017 4812 1 1 1 1 1 5515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1299.7205@3.9055758 11093 1 1 1 1 1 16151 1 1 1 1 1 1 1 1 1 1 1 1 23673 1 1 1 24149 1 1 1 1 1 1 1 1 1 1 1 1 1 1079.5055@3.9037116 6113 1 1 1 1 1 4989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3181 1 1 1 1 1 1 1 1 1557.3663@3.9068246 4092 1 1 1 1 1 17314 1 1 1 1 1 1 1 1 1 1 1 1 26326 1 1 1 19364 1 1 1 1 1 1 1 1 1 1 1 1 1 1545.8726@3.905826 14366 1 1 1 1 1 49540 1 1 1 1 1 1 1 1 1 1 1 1 92737 1 1 1 47204 1 1 1 1 1 1 1 1 1 1 1 1 1 1299.219@3.9085567 11361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26069 1 1 1 19204 1 1 1 1 1 1 1 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5697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 553.2475@3.9080744 5329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1074.5457@3.9104939 75506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45680 1 17889 1 1 1 1 1 1 1 54786 1 1 1 1 1 1 1 1 651.241@3.917779 9503 1 1 1 1 1 4662 1 1 1 1 1 1 1 1 1 1 1 1 2928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 656.2188@3.918921 8306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17578 1 12422 1 1 10018 1 1 1 1 1 1 1 1 1 1 1 1 1 572.3511@3.9043984 15986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.279@3.9053977 4383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D-Biotin 43913 23548 1 1 1 1 45709 1 1 1 1 1 16152 1 29251 1 38401 43968 100028 52349 1 1 1 29363 11299 1 63970 1 39357 1 1 1 1 1 1 1 1 610.2134@3.9087524 5695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5895 1 1 1 1 1 1 1 1 559.255@3.9183881 49023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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1 1 1 1 1 1 1 6333 1 1 1 1 1 1 1 1 1 C15 H10 O7 S 1 19646 1 1 8541 3798 1 1 6784 25560 18014 37243 63957 1 1 1 1 1 7878 49767 18986 1 1 1 1 1 8311 1 43653 1 1 1 1 1 1 1 1 254.0579@0.7967631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17836 1 1 1 1 1 1 1 1 6374 1 1 1 1 1 1 1 1 173.0842@0.8057373 1 27852 1 1 1 1 1 1 1 21493 1 1 1 1 1 1 1 1 1 11027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 291.0767@0.8490876 1 3473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C14 H7 N2 O2 1 10347 1 1 1 5454 1 1 1 9057 13453 1 1 1 1 1 9344 1 1 9569 1 1 1 1 1 1 1 1 11004 1 2843 1 1 1 1 1 1 232.9993@0.8617748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8124 1 1 1 1 1 1 1 2149 1 1 1 1 1 1 1 1 1 265.0269@0.8931419 1 1 1 1 1 1 6873 1 1 1 1 1 1 1 1 1 1 1 1 29731 1 5980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.9831@0.8937229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N-(3-oxo-hexanoyl)-homoserine lactone 1 1 1 1 1 1 1 1 35617 27817 33202 1 1 1 1 1 1 1 1 23728 1 1 1 1 1 1 1 36029 1 1 20522 1 1 1 1 1 1 298.0125@0.92338645 1 1 1 1 1 1 1 1 33913 25015 1 1 1 17053 1 1 8165 1 14275 22141 11897 1 1 1 1 1 1 31004 1 1 20380 12873 1 1 1 1 1 370.1556@0.9726556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5682 1 1 1 9042 4812 1 5061 1 1 7998 5415 1 1 1 1 1 1 1 1 7226 1 1 1072.2996@1.0056617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075.2965@1.0056617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1222.3352@1.0039772 1 61667 1 1 42008 1 1 1 1 1 1 1 1 1 1 1 47646 1 15554 7659 1 24834 27863 1 10903 1 1 1 1 1 1 1 1 1 1 1 1 591.4538@1.0371485 1 1 1 1 1 1 1 1 1 1 1 12891 1 1 12668 25811 1 1 6812 14568 1 1 1 1 9105 1 1 8368 28370 1 1 1 1 1 1 1 1 666.4388@1.0099306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5288 9675 1 1 1 1 1 1 1 3510 15877 1 1 1 1 1 1 1 1 1175.2017@1.0098326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18691 6306 1 1 1 1 14961 1 1 14211 9490 1 1 1 1 1 1 1 1 546.3952@1.013618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20498 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33303 1 1 10873 46220 1 12533 1 1 1 1 161960 1 1 55209 1 DG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0) 1 134814 1 1 1 1 1 1 88544 1 19026 176220 1 56610 1 1 1 1 1 14734 94272 36750 52368 1 1 1 1 1 1 1 63621 1 1 42274 1 1 1 612.1759@1.08731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14555 79250 1109842 832843 1 1 1 7044 1107169 1 1 1 1 1 1 1 1203161 15682 1 1 1 543.5211@1.0257856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5436 1 6500 7376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 562.4596@1.0209988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4720 1869 1 9342 6126 1 1 1 1 1 1 1 1 1 5113 1 1 1 1 1 1 1 DG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/0:0) 1 214380 1 1 1 71671 7653 1 21027 1 121469 1 4197 14148 1 1 1 1 2980 90801 80050 9353 73252 97915 1 1 1 1 9894 1 1 4451 9399 80327 1 57219 1 595.5167@1.0226519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 666.5273@1.0221419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2591 1 1 1 1 1 1 1 1 2073 1 1 1 1 1 1 1 1 602.5232@1.0236514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2061 1 1 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1 1 1 1 1 5468 5096 7646 4507 3448 3903 1 3848 4950 3937 1 6105 3955 3853 4890 1 1 1 1 1 1 1 4060 4452 1 2719 4277 4074 1 CMP-pseudaminic acid 1 1 1 1 27588 1 1 1 46996 1 63640 1 28728 43879 1 37253 36200 43878 24076 76583 1 36090 1 1 20362 72137 1 37727 37247 1 1 1 1 26589 40937 38107 32528 1290.394@1.0398548 1 1 1 1 1 1 1 1 8693 8342 11371 4912 1 8476 4664 6196 6757 6968 1 9379 4812 6281 8371 1 1 1 4287 7511 1 1 5707 8673 4253 1 7917 6997 1 1286.3986@1.0422459 1 1 1 1 1 1 1 1 1 1 4390 1 1 1 1 1 2298 2950 1 3762 1 1 1 1 1 1 1 1 1 1 1 3173 1 1 1 1 1 1288.3975@1.0419782 1 1 1 1 1 1 1 1 5451 6327 8514 4383 1 5420 1 4220 4581 4826 1 6607 4855 4466 5773 1 1 1 1 1 1 1 1 5055 1 1 5620 1 1 703.629@1.0565634 1 1 1 1 1 1 1 1 2753 1 1 1 1 1 1 1 1 1 1 4402 1 1 1 1 1 1 1 2993 1 1 1 1 1 1 1 1 1 149.0202@1.0546328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 403.2296@1.0546328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 611.4399@1.0621771 1 24158 1 1 1 1 42979 1 1 18116 1 51589 2372 1 29959 21806 17333 1 1 20628 1 1 1 29177 1 1 1 33480 28292 1 29103 18762 1 31723 34410 1 22080 563.2888@1.0591367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23311 1 1 1 1 1 1 1 1 1 1 1 18648 1 1 1 1 1 1298.354@1.0238183 1 1 1 1 1 1 1 1 1 3826 1 1 1 3609 1 1 1 1 1 2092 1 10020 1 1 1 1 1 8823 1 1 1 1 1 1 3495 7506 1 920.7663@1.0666183 1 1 1 1 1 21604 1 1 1 1 1 1 1 1 1 1 1 1 1 16090 17231 1 1 1 1 1 1 1 1 1 13342 1 1 42062 1 1 1 917.7464@1.065265 1 1 1 1 1 39472 1 1 1 1 1 4136 1 1 1 1 1 1 1 29862 1 1 1 1 1 1 1 1 1 1 25791 33829 1 1 1 1 1 559.444@1.064832 1 1 1 1 96548 1 1 1 1 9207 59586 62619 1 23590 4822 28180 17009 32947 1 24486 1854 21066 1 5638 67440 1 42484 31463 1 1 30623 1 61831 37915 1 34908 1 475.3855@1.0729766 1 1 1 1 1 1 1 1 11393 1 1 1 1 1 1 1 1 1 1 22918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C15 H35 N10 O2 1 14694 1 1 1 20739 1 1 16832 19523 1 23756 14148 10311 1 18081 1 1 15317 15895 15010 1 12758 21787 17446 13409 17906 17817 1 1 1 17096 9137 16879 12840 1 12575 603.5447@1.0531045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4737 1 1 1 1 1 1 17627 1 1 1 1 1 1 1 1 1 1 497.4081@1.0746679 1 1 1 1 1 1 1 1 1 1 1 1 10288 1 1 11161 9224 1 1 11597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465.312@1.0746207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 639.4414@1.0644174 1 18648 1 1 8133 1 1 1 1 1 1 24948 1 1 1 1 1 1 1 10002 1 1 1 6458 1 1 1 10805 1 1 12173 1 1 14330 11861 1 1 629.522@1.0771691 1 1 1 1 1 1 1 1 1 1 1 30644 1 1 1 1 1 1 1 29242 1 1 1 1 1 1 1 44360 1 1 1 1 1 1 1 1 1 479.1939@1.0752983 1 1 1 1 1 1 3859 1 6444 1 1 5674 1 4909 1 4224 3789 1 1 4414 4650 1 1 4461 1 3863 3750 1 1 1 1 1 1 4189 1 3974 1 557.3546@1.0799956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5992 1 1 1 1 10569 1 1 1 1 1 1 1 1 1 1 1 1 921.7769@1.0732695 1 1 1 1 1 120482 1 1 1 1 1 1 1 47691 1 1 1 1 1 64274 69930 1 1 1 1 3662 1 1 28318 1 69082 84047 1 1 1 1 2282 324.2091@1.0805224 1 1 1 1 48032 1 1 1 1 1 1 1 1 1 1 20141 1 1 1 6108 5266 1 9385 1 1 1 1 1 12334 1 7619 1 1 1 1 1 1 546.3955@1.07411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4091419 1 1 1 1 1 1 1 1 195053 1 1 1 1 1 1 1 1 648.4817@1.0756978 1 1 1 1 1 1 1 1 1 1 2826 1 1 1 1 1 1 1 1 3733 1 1 1 1 4451 1 1 1 1 1 1 1 1 1 1 1 1 Capsi-amide 1 1 1 1 1 12061 1 1 10256 10509 1 8339 9881 1 9759 1 1 1 7681 9458 1 1 1 1 1 9690 8936 8825 9266 1 10542 20417 1 1 1 1 1 500.3516@1.0826157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C32 H55 Cl N2 1 1 1 1 1 1 1 1 26307 1 18427 1 1 17179 1 1 1 1 1 35147 1 1 14986 1 1 1 1 20391 23080 1 17274 1 1 1 1 1 1 452.3513@1.0880451 1 1 1 1 1 1 1 1 1 1 8341 1 8322 12311 1 1 1 1 1 22778 1 7818 1 1 1 1 1 1 1 1 1 1 1 1 1 5054 1 687.6043@1.0799341 1 12408 1 1 1 1 1 1 22113 1 1 1 1 8324 1 1 1 1 1 18934 1 1 1 1 1 1 1 23501 1 1 1 16061 1 1 1 1 1 734.6501@1.0754141 1 1 1 1 4750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.1932@1.1056737 1 10914 1 1 1 1 12577 1 41267 1 1 1 15998 1 1 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1 1 96143 33043 1 1 1 1 1 1 1 1 1 1 1 45574 1 1 23619 1 Oleoyl Serotonin 1 1 1 1 1 18563 1 1 1 19151 21740 26888 1 1 1 19725 19150 20855 27633 36342 35014 1 18451 36754 1 39755 20561 17349 42240 1 17924 1 16730 22538 16975 1 1 479.31@1.094259 1 41552 1 1 28696 34427 32095 38686 43236 37777 38700 31062 29400 39448 1 33836 41855 21037 1 31736 31899 23877 36788 27199 1 1 17239 42427 27281 1 38018 38994 16747 41622 27979 24984 45835 337.2237@1.0936089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 659.5963@1.0807196 1 1 1 1 1 1 1 1 4712 7503 1 6401 1 11807 1 5135 5159 1 1 5894 2158 1 1 1 1 14346 1 1 1 1 1 1 1 5025 7322 10116 1 745.588@1.1030729 1 1 1 1 1 1 1 25707 1 26464 1 22374 27558 1 24896 1 1 19615 30233 25607 1 21063 1 32303 1 25215 26262 1 1 1 25962 29426 1 1 27648 1 26447 561.3338@1.110071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30576 15140 1 1 23414 1 1 1 1 37564 1 1 1 1 1 1 1 1 268.0737@1.1115975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 900.7958@1.1100146 1 1 1 1 1 1 1 1 58637 1 14897 1 1 1 1 1 1 1 1 13301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 794.5069@1.1137149 1 3878 1 1 1 6555 1 1 1 7708 1 1 2804 2778 1 1 1 1 1 2842 2521 1 1 4865 1 1 1 1 2634 1 1 1 1 1 1907 1 1 673.5456@1.1071874 1 8254 1 1 1 16880 1 1 11650 1 1 1 1 1 1 1 1 1 1 11499 1 1 1 1 9345 12075 1 30446 11823 1 1 1 1 1 1 1 7847 PA(20:2(11Z,14Z)/19:0) 1 13807 1 1 1 22539 1 1 1 35026 31746 10591 1 1 1 13934 5951 1 1 14034 1 9955 20272 9270 2314 1 1 12227 9133 1 9946 1 1 12176 7995 1 1 287.2457@1.1210867 1 1 1 1 1 1 1 1 5281 8169 1 1 1 1 1 1 5523 1 1 7089 1 6048 1 1 1 1 1 1 1 1 4203 1 4329 6099 6940 6544 6741 C30 H52 N3 O6 1 6223 1 1 1 1 1 1 1 1 12766 30161 11977 8533 1 10078 1 1 9129 10712 18361 1 1 1 1 7966 66160 1 1 1 4235 1 10898 15265 1 5197 16237 481.3777@1.1199757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5724 1 1 1 1 1 1 1 11375 1 1 1 1 1 1 10430 1 1 708.569@1.1207725 1 1 1 1 1 1 1 1 1 7452 1 1 1 1 1 1 1 1 1 4166 1 3294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.1855@1.1010286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3910 1 1 1 7211 1 1 1 1 1 1 1 1 1 1 1 1 1 464.3498@1.111626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20446 1 1 1 1 15188 8044 1 1 1 1 1 12680 1 47889 1 1 1 17750 1 1 1 1 648.5502@1.1236258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3453 2278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.4026@1.1219909 1 1 1 1 1 3644 1 4058 1 1 1 1 1 1 1 1 1 1 1 5934 3528 1 1 1 1 8551 1 1 3137 1 1 1 1 1 1 1 1 N1,N4-Diacetylsulfanilamide 1 1 1 1 1 1 1 1 59753 46829 35974 35632 30577 1 1 1 28144 1 22034 36036 29425 1 1 1 1 1 26553 23861 24451 1 43696 1 1 1 1 1 1 620.4608@1.1126142 1 1 1 1 1 1 1 1 1 1 1 1 12319 1 1 1 1 1 1 13304 1 2787 1 22816 3500 1 1 1 1 1 1 1 1 1 1 1 1 8(S)-HETrE 1 14320 1 1 1 16406 1 1 1 5786 21216 9736 1 1 1 1 1 1 1 28188 11842 1 1 19378 8386 1 1 13064 1 1 12969 10184 1 6455 1 9948 1 C18 H25 N2 O4 1 1 1 1 1 31789 1 1 12817 43089 76691 35036 1 1 1 82694 1 70443 1 66018 6402 1 48540 16137 1 142302 1 24875 72442 1 51180 20709 29649 65711 26784 127107 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1 11568 14401 1 1 1 7952 7623 9015 1 1 1 12920 10203 10738 1 12712 5652 10007 1 9296 7245 1 6671 1 1 8130 1 5604 8846 481.2119@6.1748524 1 1 1 1 1 1 1 1 1 1 1 1 9802 1 1 1 1 1 1 8082 1 13028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.1222@6.1751494 1 1 1 1 9795 1 1 1 1 1 14546 1 12582 1 1 1 1 1 1 28912 1 11300 1 5172 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0377@6.1757116 1 8811 1 1 1 1 6735 1 1 9935 13330 5871 1 1 1 1 1 1 1 30034 1 9210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.0482@6.1773314 1 1 1 1 1 1 1 1 1 1 7085 1 6840 1 20217 1 27646 22177 1 6732 3202 7275 1 1 1 4703 1 1 20593 1 18312 18310 24539 3705 1 1 23896 146.0366@6.1881204 1 4999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11344 1 1 1 3828 1 1 1 1 1 1 1 1 1 1 1 1 1 615.0994@6.1805515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 799.6078@6.174179 1 1 1 1 1 1 1 1 1 1 12128 1 1 1 1 1 1 1 1 18409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.1476@6.179301 1 9749 1 1 1 1 1 1 1 11554 11529 1 5984 1 1 1 1 1 1 14484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 760.5806@6.177184 1 1 1 1 1 1 1 1 1 53505 1 1 1 1 1 1 1 1 1 61361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside 1 7435 1 1 1 1 1 1 8804 9043 14276 1 10643 1 1 1 1 1 1 12354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.078@6.188581 1 7561 1 1 1 1 1 1 1 7441 9997 1 1 1 1 1 1 1 1 27167 1 1 1 4845 1 1 1 1 1 1 1 1 1 1 1 1 1 346.0912@6.1796193 1 1 1 1 1 1 1 1 1 1 17772 1 8817 1 1 1 1 1 1 20609 1 1 1 1 2734 1 1 1 1 1 1 1 1 1 1 1 1 464.0583@6.1966696 1 11895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 901.5306@6.2562914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47914 729.4453@6.185598 1 1 1 1 1 1 1 1 1 1 49483 1 1 1 1 1 1 1 1 16854 1 13811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 896.5489@6.20273 1 1 1 1 1 1 1 1 1 1 9707 1 1 1 1 1 1 1 1 19048 1 60997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 939.5096@6.248379 1 1 1 1 1 1 19928 1 1 1 23942 2467 1 1 1 10296 1 13735 1 14493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 926.5752@6.1849723 1 9090 1 1 1 3365 1 1 4435 5669 1 3575 1 1 1 1 1 1 1 4622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 994.5825@6.193703 1 5389 1 1 1 1 1 1 1 1 5143 1 1 1 1 1 1 1 1 3065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 863.5502@6.1964803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.9892@6.1860404 1 1 1 1 1 1 1 1 1 3164 5123 1 1 1 1 1 1 1 1 5579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 831.5635@6.1871195 1 1 1 1 1 1 1 1 1 1 1 14213 1 1 1 1 1 1 1 56022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 890.5644@6.2034492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 933.5219@6.1961403 1 1 1 1 1 1 97044 1 1 1 20807 1 1 1 1 1 1 1 1 6486 1 1 1 1 1 23795 1 1 1 1 1 1 1 1 1 1 1 288.1797@6.208267 1 1 1 1 1 1 1 1 1 1 4940 1 1 1 1 1 1 1 1 6181 1 1 1 1 1 4754 1 1 1 1 1 1 1 1 1 1 1 932.5878@6.2113924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4768 1 2201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 405.1246@6.2104177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.0636@6.2104177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.6003@6.211508 1 3985 1 1 1 1 1 1 6024 5195 1 1 1 1 1 1 1 1 1 5970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.5198@6.1927915 1 1 1 1 1 1 1 1 6329 1 1 1 1 1 1 3618 1 1 1 22201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.098@6.207647 1 1 1 1 1 1 1 1 1 6602 7874 1 1 1 1 1 1 1 1 25162 1 6671 1 1 1 1 1 1 1 1 1 2513 1 1 1 1 1 380.0716@6.213404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.1426@6.2138815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4594 1 3740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C21 H14 O S 1 1 1 1 1 1 3924 3830 4065 1 1 1 1 1 1 1 1 1 1 2701 3722 5544 1 1 1 3997 3089 2970 1 1 1 1 1 1 2941 3084 1 196.0459@6.2101665 1 1 1 1 4289 1 5035 1 4206 4857 1 1 4496 1 1 1 4226 3974 4468 5696 1 1 1 4957 4649 1 1 1 1 1 1 1 4661 5214 5162 4811 1 168.0902@6.2114105 1 1 1 1 1 1 1 1 1 13967 1 1 1 1 1 1 1 1 1 12554 1 1 1 1 1 1 1 1 1 1 1 1 12692 1 1 1 1 709.4316@6.221595 1 1 1 1 1 1 1 1 1 1 10622 1 1 1 1 12074 1 1 14425 20117 1 34275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C8 H8 N O2 S 1 4576 1 1 1 1 4024 1 1 1 4208 4605 5277 1 1 4443 1 1 1 5500 5876 1 1 1 3857 1 4169 1 5724 1 4410 1 1 4989 5221 1 4262 261.1576@6.254775 1 11171 1 1 1 12010 1 1 1 8159 1 1 1 1 7132 1 1 1 1 9626 1 1 6221 5130 1 1 1 1 1 1 1 1 9446 5880 1 1 1 165.0999@6.2802677 1 1 1 1 1 1 59790 1 1 1 1 1 1 1 1 1 1 1 1 33356 1 92170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C34 H44 Cl N6 1 8175 1 1 19029 7186 1 1 6434 1 10371 4481 1 1 1 1 1 1 1 8376 5294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.1111@6.300394 1 1 1 1 1 1 1 1 1 1 23733 1 1 1 1 1 1 1 1 67770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.0532@6.3054743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41694 1 34123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.0619@6.3106155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72095 1 54115 1 10337 1 1 1 1 1 1 1 8050 1 1 1 1 1 639.3753@6.323062 1 1 1 1 1 1 64372 30729 1 1 8468 1 1 6641 1 11797 6743 52847 1 3830 1 12557 1 1 1 1 1 1 1 21024 1 1 1 7109 1 57959 27413 715.4407@6.2460256 1 1 1 1 1 1 1 1 1 1 115971 1 64030 1 1 1 1 1 1 62338 1 147181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.5543@6.318413 1 1 1 1 1 1 1 1 1 1 1 1 9210 1 1 1 1 1 1 19627 1 15673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 717.2857@6.3169327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0533@6.28557 1 1 1 1 1 1 1927 1 1 1 4355 1 1 1 1 1 1 1 1 5710 1 13573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 729.4303@6.259345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14601 1 1 1 1 42193 34335 47307 1 1 1 1 1 1 1 1 1 1 837.5415@6.3207345 1 1 1 1 1 1 1 1 1 1 1 1 5628 1 1 1 1 1 1 9485 1 19563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 857.5049@6.318923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 934.5252@6.319919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 920.6204@6.3145103 1 1 1 1 6450 1 1 1 3329 2442 1 5050 7727 1 1 1 1 1 1 9033 1 1 1 6359 1 1 1 1 1 1 1 1 1 1 1 1 1 739.4401@6.319919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 862.5401@6.3309574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27202 1 1 1 1 1 1 1 1 1 4619 1 1 1 1 1 1 1 709.4119@6.33995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11131 1 1 1 1 30891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 887.5509@6.3128676 1 1 1 1 1 11444 1 1 1 1 1 1 1 1 1 1 1 1 1 33852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 439.1641@6.324314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26247 1 7970 1 4003 1 1 1 1 1 1 1 1 1 1 1 1 1 902.5351@6.32191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 949.5189@6.2700233 1 1 1 1 1 1 1 1 1 1 23032 1 1 12960 1 1 1 1 1 34922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 877.5385@6.32191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 811.6059@6.3180614 1 1 1 1 1 1 1 1 1 35039 1 1 38429 1 1 1 1 1 1 49143 1 1 1 18849 1 1 1 1 1 1 1 1 1 1 1 1 1 717.5671@6.3194113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14047 1 5558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 760.5809@6.3185296 1 1 1 1 1 1 1 1 1 1 222099 1 1 1 1 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8304 1 688.3793@7.0874844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1833 1 554.3404@7.3034453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5984 1 666.42@7.8227158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4112 1 377.1221@8.277044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6442 1 192.1994@10.730456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3468 1 381.9687@0.88606536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 670.1785@1.0180832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 671.1723@1.0190834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 973.9548@1.059089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 640.4313@1.0670902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2551 1 1 1 1 1 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412.2817@1.2101115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.2857@1.2371156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.2469@1.2411163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.2286@1.2531182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.4303@1.2541182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 562.3758@1.2571187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2633@1.2581189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.1314@1.3741374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.2658@1.4061427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.3029@1.4551508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.2727@1.480155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1423.378@1.5021586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.5389@1.5021586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 785.5234@1.5511669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.1926@1.5681698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.4738@1.5731707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.2277@1.5901736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.1916@1.6201787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.2136@2.3323028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.045@2.6833596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.1128@3.0554104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633.1845@3.077413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.0681@3.1244185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.0849@3.3284395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.3649@3.858468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.1009@4.549432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593.0352@4.5594306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.5502@4.603425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851.5532@4.7374043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 825.5809@5.326259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0896@5.347252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 971.4984@5.3992343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 892.4645@5.41023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1284.31@5.4502153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 813.5982@5.4632106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 762.5252@5.46621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1593.6107@5.4912004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 813.6104@5.5631723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 767.0401@5.6171503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1166.3325@5.6181498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 495.7562@5.8250556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.5035@5.8340516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 635.3809@5.882027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 949.649@5.899019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 705.5292@5.9010177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 728.4809@5.9529905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 948.5245@6.169866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 756.4406@6.3217688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.3673@6.3687367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 797.4837@6.375732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 736.4433@6.5296216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 582.2955@6.648529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 723.5361@6.649528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 791.4544@6.6525254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 727.4099@6.700487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 847.5081@6.731461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 830.9833@6.779421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.0667@6.8943195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 826.5472@6.9083066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.9939@7.0551686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.309@7.0661573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 613.3011@7.0711527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 664.3039@7.1580653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 622.2949@7.4137883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID Alignment Value Annotations CAS Number ChEBI ID CompositeSpectrum Frequency Mass Compound Name HMP ID Ionization mode LMP ID C18 H10 N6 O10 S2 0.71147233 [ C18 H10 N6 O10 S2, mfg=80.70, overall=80.70 ] (534.9976, 9243.866)(536.00037, 1182.3472)(536.9935, 831.93494) 22 533.9903 C18 H10 N6 O10 S2 + Demethyltexasin 0.7356324 C14314 Demethyltexasin [ C15 H10 O5, mfg=87.17, db=87.16, overall=87.16, Lipid ID=LMPK12050102, KEGG ID=C14314, METLIN ID=47619 ] (271.0602, 17016.672)(272.06384, 4006.9941)(273.06726, 1239.2433)(293.04187, 2781.554)(294.0464, 942.24) 17 270.0529 Demethyltexasin + LMPK12050102 L-Ascorbic acid 0.738635 C00072 L-Ascorbic acid [ C6 H8 O6, mfg=78.10, db=78.10, overall=78.10, CAS ID=50-81-7, KEGG ID=C00072, HMP ID=HMDB00044, METLIN ID=249 ] 50-81-7 (177.03947, 10904.287)(178.0457, 1107.2065)(179.04378, 877.7925)(194.06808, 3289.9111)(195.0763, 1504.35)(199.02101, 4270.488) 33 176.0322 L-Ascorbic acid HMDB00044 + 140.0108@0.742 0.742 (141.0181, 3124.07) 1 140.0108 140.0108@0.742 + Hispidol 0.74429685 C08644 Hispidol [ C15 H10 O4, mfg=96.28, db=96.28, overall=96.28, Lipid ID=LMPK12130004, KEGG ID=C08644, METLIN ID=52419 ] (255.06541, 27482.238)(256.06924, 4531.533)(257.07132, 1423.7666)(277.04718, 3295.66)(278.05093, 1042.2616) 25 254.058 Hispidol + LMPK12130004 378.7542@0.7529944 0.7529944 (775.544, 799.495)(780.5007, 848.0)(379.7615, 2658.247)(396.78802, 8679.625)(397.7914, 691.34)(398.7859, 11638.21)(401.7439, 1951.057) 17 378.7542 378.7542@0.7529944 + 380.7522@0.75264007 0.75264007 (381.75925, 2592.3367)(398.78613, 8459.753)(403.7416, 1915.5966) 20 380.7522 380.7522@0.75264007 + 191.9953@0.7545973 0.7545973 (193.0023, 1733.6582) 11 191.9953 191.9953@0.7545973 + C15 H14 O6 S 0.76786345 [ C15 H14 O6 S, mfg=99.19, overall=99.19 ] (323.05814, 18806.412)(324.06158, 3671.804)(325.0582, 1413.4843)(326.0619, 361.95)(340.08475, 53392.242)(341.0877, 9929.5625)(342.08505, 3349.599)(343.0874, 827.076)(345.0403, 8409.372)(346.04337, 1622.9567)(347.04044, 829.584) 24 322.0508 C15 H14 O6 S + (R)-benzyl Mandelate 0.76998836 (R)-benzyl Mandelate [ C15 H14 O3, mfg=99.81, db=99.81, overall=99.81, CAS ID=97415-09-3, METLIN ID=45044 ] 97415-09-3 (243.10176, 129049.87)(244.10504, 21236.342)(245.10829, 2622.592)(260.12845, 9203.977)(261.1305, 2651.0059)(262.13385, 796.05005)(265.0863, 5401.125)(266.0997, 1080.76) 24 242.0945 (R)-benzyl Mandelate + C15 H10 N3 O5 S 0.77153945 [ C15 H10 N3 O5 S, mfg=93.52, overall=93.52 ] (345.04056, 7493.3267)(346.04373, 1418.9126)(347.0418, 779.595)(362.06625, 1599.1768)(367.02237, 1810.1201) 11 344.0331 C15 H10 N3 O5 S + C9 H9 N5 O3 S 0.79247105 [ C9 H9 N5 O3 S, mfg=47.60, overall=47.60 ] (268.04868, 2362.0312)(285.0765, 1081.11) 16 267.0413 C9 H9 N5 O3 S + C15 H3 N2 O2 0.7916226 [ C15 H3 N2 O2, mfg=81.91, overall=81.91 ] (244.02757, 4668.3994)(245.02975, 909.04004)(266.00867, 842.69) 8 243.0204 C15 H3 N2 O2 + 4-Hydroxyindole 0.7999384 C02040 4-Hydroxyindole [ C8 H7 N O, mfg=99.31, db=99.31, overall=99.31, CAS ID=2380-94-1, KEGG ID=C02040, METLIN ID=34514 ] 2380-94-1 (267.1097, 797.14)(134.0601, 148675.14)(135.0635, 14898.87)(136.06702, 1887.4607)(156.04214, 5418.165)(157.04997, 1866.8165) 37 133.0528 4-Hydroxyindole + 246.0798@0.80109215 0.80109215 (247.08702, 6884.7544)(248.08664, 2335.063) 27 246.0798 246.0798@0.80109215 + C8 H6 N O 0.80052155 [ C8 H6 N O, mfg=91.98, overall=91.98 ] (265.09763, 17005.545)(266.10123, 3359.8713)(267.10577, 1022.895)(287.08008, 776.635)(133.0523, 5059.0894) 25 132.045 C8 H6 N O + 189.0095@0.8051261 0.8051261 (190.01726, 2849.9175) 4 189.0095 189.0095@0.8051261 + C13 H5 O2 S2 0.8034416 [ C13 H5 O2 S2, mfg=93.80, overall=93.80 ] (257.98087, 6858.656)(258.98438, 835.43604)(259.97916, 593.55664) 23 256.9735 C13 H5 O2 S2 + C27 H44 0.8322809 [ C27 H44, mfg=86.76, overall=86.76 ] (369.35092, 24000.705)(370.35452, 7166.5903)(371.3551, 2518.348) 37 368.3437 C27 H44 + 241.0047@0.8333611 0.8333611 (504.9989, 1101.1)(242.01195, 7279.72)(243.01524, 1100.8066)(244.0124, 947.09)(263.9941, 1965.4183)(265.0026, 1171.32) 6 241.0047 241.0047@0.8333611 + 161.0478@0.8330316 0.8330316 (323.1036, 1032.55)(162.05519, 15902.032)(163.063, 3230.1934)(184.03745, 1538.324) 7 161.0478 161.0478@0.8330316 + 201.009@0.8472592 0.8472592 (202.01666, 1800.1475) 4 201.009 201.009@0.8472592 + C27 H42 0.837904 [ C27 H42, mfg=74.40, overall=74.40 ] (367.33536, 7198.3955)(368.33984, 2632.3809) 35 366.328 C27 H42 + C32 H36 N3 O3 0.83705205 [ C32 H36 N3 O3, mfg=75.12, overall=75.12 ] (511.28268, 3003.3188)(512.2868, 1174.0479) 27 510.2749 C32 H36 N3 O3 + C22 H O 0.8427087 [ C22 H O, mfg=72.31, overall=72.31 ] (282.00992, 4097.775)(283.0136, 966.35)(284.0151, 814.49)(299.03818, 2300.319)(303.99216, 1983.556) 14 281.0032 C22 H O + 245.0365@0.88503504 0.88503504 (246.043, 5275.512)(247.04395, 1264.24)(268.02618, 2149.9849) 4 245.0365 245.0365@0.88503504 + Epinephrine sulfate 0.88739944 Epinephrine sulfate [ C9 H13 N O6 S, mfg=98.68, db=98.68, overall=98.68, CAS ID=77469-50-2, HMP ID=HMDB01876, METLIN ID=58061 ] 77469-50-2 (527.0994, 2669.2786)(544.1262, 2820.873)(545.1295, 1059.4)(549.0812, 1361.3271)(264.05396, 217301.47)(265.0567, 23872.846)(266.0504, 14083.408)(267.05344, 1742.3109)(281.08093, 3743.1926)(282.08215, 630.13)(283.0695, 803.17)(286.03568, 1765.1478) 32 263.0467 Epinephrine sulfate HMDB01876 + C7 H4 N6 O4 S 0.88855547 [ C7 H4 N6 O4 S, mfg=96.50, overall=96.50 ] (537.01044, 1251.4907)(554.0369, 1241.1465)(558.9911, 4956.5806)(559.9928, 1711.3698)(560.98975, 1149.1969)(269.00894, 33615.63)(270.0122, 3650.9355)(271.0048, 2306.3008)(286.0358, 2959.48)(290.9909, 10222.281)(291.9935, 1177.9084)(292.987, 804.942) 32 268.0016 C7 H4 N6 O4 S + C27 H42 + 0.90270376 0.90270376 [ C27 H42, mfg=81.68, overall=81.68 ] (367.3353, 7992.203)(368.33905, 2654.76)(369.34506, 1104.4967) 32 366.3281 C27 H42 + 0.90270376 + GW 9662 0.9295518 C15627 GW 9662 [ C13 H9 Cl N2 O3, mfg=47.56, db=68.93, overall=58.25, CAS ID=22978-25-2, KEGG ID=C15627, METLIN ID=63072 ] 22978-25-2 (294.06412, 20979.047)(295.06754, 2778.8357)(296.06387, 1827.1924) 17 293.0568 GW 9662 + C9 H13 N O7 S 0.9202063 [ C9 H13 N O7 S, mfg=93.13, overall=93.13 ] (280.0487, 20885.832)(281.0518, 2664.881)(282.05093, 1737.0457)(302.0299, 866.77) 32 279.0415 C9 H13 N O7 S + 697.5497@0.9405877 0.9405877 (698.5567, 2326.931)(699.5603, 1206.0573)(700.5657, 805.9011)(680.5464, 1155.33)(720.5383, 1332.9825) 13 697.5497 697.5497@0.9405877 + 459.2862@0.9637725 0.9637725 (460.29337, 11228.685)(461.2968, 3512.9956)(462.2979, 3263.9)(463.286, 710.08) 7 459.2862 459.2862@0.9637725 + 464.2413@0.95696414 0.95696414 (465.24887, 6515.3604)(466.25287, 1877.1124)(467.2486, 1778.72)(487.2313, 2831.0) 5 464.2413 464.2413@0.95696414 + 367.2329@1.0122453 1.0122453 (735.4734, 1182.0)(752.4993, 1246.17)(753.5007, 924.81)(754.5113, 3495.93)(755.5136, 1940.52)(756.5263, 1582.91)(368.24396, 3584.4382)(369.25012, 1212.1) 5 367.2329 367.2329@1.0122453 + C15 H35 Cl N3 S2 0.9923067 [ C15 H35 Cl N3 S2, mfg=74.45, overall=74.45 ] (357.20193, 4894.4004)(358.20566, 1435.0038)(359.2035, 2504.1978) 26 356.1942 C15 H35 Cl N3 S2 + C8 H4 N3 O5 S 0.9971666 [ C8 H4 N3 O5 S, mfg=94.30, overall=94.30 ] (254.99342, 14673.136)(255.99709, 1519.475)(256.99225, 988.0537)(272.02014, 1340.8301)(276.97546, 4741.646)(277.97833, 1007.5) 27 253.9861 C8 H4 N3 O5 S + 1198.7661@0.9932943 0.9932943 (1199.7743, 4640.2744)(1200.7758, 3705.0632)(1201.7786, 1716.107)(1202.7799, 712.30835) 21 1198.7661 1198.7661@0.9932943 + 1193.809@0.9948869 0.9948869 (1194.8168, 160433.45)(1195.8202, 129189.9)(1196.8231, 54699.125)(1197.8259, 16594.941)(1198.8282, 4279.875)(1199.8228, 1293.885) 29 1193.809 1193.809@0.9948869 + Norepinephrine sulfate 0.9953287 Norepinephrine sulfate [ C8 H11 N O6 S, mfg=98.32, db=98.30, overall=98.31, CAS ID=77469-51-3, HMP ID=HMDB02062, METLIN ID=58089 ] 77469-51-3 (250.03802, 37221.203)(251.0416, 4314.6846)(252.03574, 2479.5303)(267.06424, 884.0366)(272.01962, 1063.5344) 35 249.0307 Norepinephrine sulfate HMDB02062 + 1209.8032@0.9963271 0.9963271 (1210.811, 18896.004)(1211.8141, 14698.857)(1212.8169, 6893.3027)(1213.818, 2679.107)(1214.8159, 1193.646)(1192.7999, 5815.5625)(1193.8046, 5425.118) 18 1209.8032 1209.8032@0.9963271 + 1137.7476@0.99676216 0.99676216 (1138.7535, 4522.869)(1139.7576, 3507.1675)(1140.7601, 1500.2748)(1141.763, 605.32) 21 1137.7476 1137.7476@0.99676216 + 1225.798@0.99705565 0.99705565 (1226.8053, 6415.98)(1227.8091, 4862.696)(1228.8108, 2332.059)(1229.8092, 911.4184)(1208.7959, 2775.4548)(1209.7993, 2324.6963)(1210.8112, 30811.875) 22 1225.798 1225.798@0.99705565 + 1241.7935@0.997456 0.997456 (1242.8004, 5092.834)(1243.804, 4024.876)(1244.8062, 1989.7988)(1245.8073, 1056.29)(1224.7924, 1380.2778)(1225.7947, 1326.3342) 18 1241.7935 1241.7935@0.997456 + 1145.3173@1.003144 1.003144 (1146.325, 24059.492)(1147.3259, 25418.104)(1148.3243, 26501.797)(1149.324, 17119.451)(1150.3231, 10468.207)(1151.3226, 4643.8076)(1152.3217, 2223.7112)(1153.3204, 3167.74)(1154.3191, 793.87) 34 1145.3173 1145.3173@1.003144 + 1071.2996@1.0033499 1.0033499 (1072.3068, 36857.055)(1073.3077, 37808.63)(1074.3062, 37857.19)(1075.3058, 22451.967)(1076.3047, 13017.1)(1077.3038, 7613.8574)(1078.3022, 3239.29)(1079.3031, 950.41) 34 1071.2996 1071.2996@1.0033499 + 1076.2968@1.0054973 1.0054973 (1077.3035, 4021.445)(1078.3026, 1751.135)(1079.2997, 1331.98) 4 1076.2968 1076.2968@1.0054973 + 939.7312@1.0059811 1.0059811 (940.73816, 3073.0923)(941.74, 2140.5774)(942.75146, 3768.9016)(943.7556, 2105.8381)(944.7637, 2778.68) 8 939.7312 939.7312@1.0059811 + 1219.3354@1.0043726 1.0043726 (1220.3431, 14190.35)(1221.3444, 17654.033)(1222.343, 18856.123)(1223.3424, 14473.52)(1224.3414, 9248.421)(1225.3405, 5714.14)(1226.3392, 2945.3357) 35 1219.3354 1219.3354@1.0043726 + 1000.2801@1.0045232 1.0045232 (1001.2874, 31952.322)(1002.2861, 18126.63)(1003.2854, 8421.148)(1004.2839, 3508.9343)(1005.2821, 1521.9137) 26 1000.2801 1000.2801@1.0045232 + 997.2817@1.0047747 1.0047747 (998.2889, 52394.43)(999.2894, 50736.94)(1000.2879, 47578.562)(1001.2875, 13410.568)(1002.2858, 7587.236)(1003.28455, 4051.08)(1004.2834, 1482.825) 32 997.2817 997.2817@1.0047747 + 969.2272@1.007 1.007 (970.2345, 2416.77)(971.2339, 1551.52) 1 969.2272 969.2272@1.007 + 922.2844@1.0074333 1.0074333 (923.29285, 4528.891) 7 922.2844 922.2844@1.0074333 + 965.7477@1.006802 1.006802 (966.75336, 3276.6155)(967.7561, 2398.2515)(968.7662, 2794.2668)(969.7702, 1883.5101)(970.78076, 1043.755)(988.7327, 1311.31) 14 965.7477 965.7477@1.006802 + 933.6326@1.0072644 1.0072644 (934.64, 17112.62)(935.6432, 10712.881)(936.64624, 4234.109)(937.64874, 1368.6417) 25 933.6326 933.6326@1.0072644 + 926.262@1.0072995 1.0072995 (927.26917, 30349.494)(928.2676, 16686.312)(929.2668, 7349.6743)(930.26495, 3050.8577)(931.26263, 1226.1766) 25 926.262 926.262@1.0072995 + 923.2634@1.0074075 1.0074075 (924.2707, 67813.445)(925.27106, 60040.254)(926.26953, 53829.74) 24 923.2634 923.2634@1.0074075 + 903.7495@1.0087591 1.0087591 (904.75793, 1567.324)(905.7612, 1065.78)(926.74243, 1370.985)(927.7478, 1132.02)(928.7549, 1960.36)(929.7609, 1240.82) 5 903.7495 903.7495@1.0087591 + 995.3012@1.0097662 1.0097662 (996.3095, 2836.782)(997.3101, 2550.5632)(998.2893, 65640.43) 19 995.3012 995.3012@1.0097662 + 941.7463@1.0119835 1.0119835 (942.75275, 12520.011)(943.75616, 8421.21)(944.7682, 25311.37) 8 941.7463 941.7463@1.0119835 + 771.2659@1.009055 1.009055 (772.2732, 5659.7285)(773.27423, 4168.0356)(774.2581, 10582.396)(775.2565, 8328.631) 35 771.2659 771.2659@1.009055 + 991.7573@1.0067686 1.0067686 (992.7669, 2678.9568)(993.7706, 2040.3824)(994.7802, 1576.3685)(995.785, 580.41)(1014.748, 707.945)(1015.7504, 738.53) 10 991.7573 991.7573@1.0067686 + 845.2847@1.010419 1.010419 (846.29205, 3809.2905)(847.29254, 3056.0042)(848.2763, 7483.3843)(849.2748, 6025.9204) 31 845.2847 845.2847@1.010419 + 774.2507@1.0097471 1.0097471 (775.25854, 7292.5425) 13 774.2507 774.2507@1.0097471 + 697.2469@1.01001 1.01001 (698.2541, 5430.9375)(699.2551, 3883.023)(700.2383, 11117.206)(701.23737, 7263.8687) 37 697.2469 697.2469@1.01001 + 895.2105@1.0110228 1.0110228 (896.2159, 2132.25)(897.21796, 1093.2783)(898.2091, 900.99) 6 895.2105 895.2105@1.0110228 + 595.3936@1.0101901 1.0101901 (1191.7893, 701.865)(596.4008, 7367.077)(597.4045, 2735.199)(598.4032, 1878.88)(599.4033, 1377.65) 20 595.3936 595.3936@1.0101901 + 852.2431@1.0107596 1.0107596 (853.25024, 24487.047)(854.2491, 12598.463)(855.2478, 5337.2603)(856.24615, 2038.4484)(857.2413, 1547.51) 34 852.2431 852.2431@1.0107596 + 849.2449@1.0105537 1.0105537 (850.2524, 69719.72)(851.25275, 53841.445)(852.25073, 46769.72) 34 849.2449 849.2449@1.0105537 + 820.2049@1.012342 1.012342 (821.208, 3185.0562)(822.202, 2552.534)(823.1995, 1458.7515)(838.2344, 15875.04)(839.2323, 5467.135)(840.23035, 1751.25) 15 820.2049 820.2049@1.012342 + 1069.3192@1.0280694 1.0280694 (1070.33, 1507.0586)(1071.3309, 1433.6583) 7 1069.3192 1069.3192@1.0280694 + 927.5206@1.011941 1.011941 (928.5278, 3145.3264)(929.5318, 1776.1835)(930.5311, 855.84) 3 927.5206 927.5206@1.011941 + 700.2311@1.0120283 1.0120283 (701.2389, 6326.934) 7 700.2311 700.2311@1.0120283 + 798.2408@1.0146337 1.0146337 (799.24786, 6183.381)(800.2488, 4832.127)(801.2472, 4162.1045)(802.24774, 1351.44)(821.2205, 1902.76)(822.2165, 1478.67) 22 798.2408 798.2408@1.0146337 + 949.6266@1.0123534 1.0123534 (950.635, 3058.5012)(951.6378, 2106.7935)(952.63525, 1120.72) 8 949.6266 949.6266@1.0123534 + 872.2593@1.0161245 1.0161245 (873.2667, 7474.5967)(874.2675, 6001.1353)(875.26605, 5300.5586)(876.26447, 3733.9302)(877.264, 1478.56) 31 872.2593 872.2593@1.0161245 + 873.2609@1.0313057 1.0313057 (874.2671, 8252.851)(875.26587, 6702.5103)(876.267, 3843.8535)(877.2634, 2683.32) 3 873.2609 873.2609@1.0313057 + 729.5345@1.014 1.014 (730.5418, 3732.43)(731.5447, 1949.98)(732.55, 2428.72) 1 729.5345 729.5345@1.014 + 1005.6533@1.0252556 1.0252556 (1006.6613, 1664.068)(1007.66473, 1277.912) 5 1005.6533 1005.6533@1.0252556 + C30 H58 O4 S 1.0128167 [ C30 H58 O4 S, mfg=99.14, overall=99.14 ] (515.4124, 50357.695)(516.417, 20750.678)(517.4175, 5732.416)(518.4177, 1811.7147)(519.418, 621.0)(532.4393, 143666.67)(533.4426, 49260.81)(534.4426, 14521.202)(535.4425, 4319.9995)(537.3946, 39868.348) 35 514.4054 C30 H58 O4 S + 730.4754@1.0143248 1.0143248 (731.4847, 1734.236)(732.4868, 1056.1075) 5 730.4754 730.4754@1.0143248 + C35 H74 Cl N9 1.0164591 [ C35 H74 Cl N9, mfg=69.86, overall=69.86 ] (656.58057, 7709.423)(657.58344, 3655.485)(658.58984, 2837.9375)(678.563, 907.45337) 21 655.5742 C35 H74 Cl N9 + 705.5292@1.0166469 1.0166469 (706.53564, 2461.9375)(707.5435, 1234.2175)(708.55176, 1912.675) 4 705.5292 705.5292@1.0166469 + 949.2774@1.0263888 1.0263888 (950.28394, 2678.4858)(951.28253, 1559.6641)(952.2811, 1099.8119) 12 949.2774 949.2774@1.0263888 + 743.1926@1.0151968 1.0151968 (744.2011, 6609.1914)(745.2018, 4820.1064)(746.1933, 5652.6064)(747.19, 2712.7874)(748.18494, 1920.7957) 29 743.1926 743.1926@1.0151968 + C33 H19 N18 O5 1.0159316 [ C33 H19 N18 O5, mfg=61.24, overall=30.62 ] (747.1922, 3610.1177)(748.1862, 2644.4077)(749.1859, 1439.8276) 19 746.1897 C33 H19 N18 O5 + 775.2251@1.0157659 1.0157659 (776.2336, 65040.957)(777.2341, 47227.668)(778.23193, 37866.277)(758.22186, 935863.1)(759.22284, 665910.7)(760.2213, 555243.9) 35 775.2251 775.2251@1.0157659 + 778.2243@1.0159129 1.0159129 (779.2316, 18980.678)(780.2302, 9353.372)(781.22925, 3745.0356)(782.22754, 1344.1359)(761.2211, 257267.98)(762.2193, 123419.96)(763.21814, 45659.8)(764.21643, 17651.137)(765.21576, 5492.384)(766.213, 1512.586) 34 778.2243 778.2243@1.0159129 + 623.228@1.0141075 1.0141075 (624.23456, 2129.6008)(625.23395, 1472.8075)(626.2159, 8442.203)(627.2174, 4525.64) 14 623.228 623.228@1.0141075 + 753.5908@1.0486847 1.0486847 (754.5962, 5244.3257)(755.5965, 1513.7894)(756.61926, 1077.6699)(776.5711, 893.235)(777.5667, 795.14) 17 753.5908 753.5908@1.0486847 + 709.5678@1.0155567 1.0155567 (710.5787, 1986.5717)(711.58545, 1296.8225)(712.5956, 1882.93)(713.5917, 1767.4)(714.6014, 1510.27)(732.5558, 838.015)(733.5525, 568.83) 6 709.5678 709.5678@1.0155567 + 640.503@1.014782 1.014782 (641.51215, 2724.0999)(642.5173, 1594.9)(643.5231, 1633.74) 3 640.503 640.503@1.014782 + 946.278@1.0215094 1.0215094 (947.2855, 4478.5874)(948.2859, 3993.758)(949.2843, 3873.2957)(950.2843, 2178.9)(951.28296, 1599.98) 26 946.278 946.278@1.0215094 + 757.2146@1.0166359 1.0166359 (758.222, 1671100.2)(759.22284, 1194210.2)(760.2212, 993694.2)(761.22125, 715548.7) 21 757.2146 757.2146@1.0166359 + 760.2141@1.0247982 1.0247982 (761.2214, 343578.78)(762.21954, 165112.17)(763.21844, 60625.875)(764.2169, 22160.82)(765.21576, 6651.1626)(766.2125, 1996.592) 16 760.2141 760.2141@1.0247982 + 659.55@1.0182431 1.0182431 (660.5536, 7988.3037)(661.55817, 4202.8926)(662.57086, 4859.6865)(682.53973, 23850.21)(683.5434, 11381.532) 5 659.55 659.55@1.0182431 + 679.5161@1.0171659 1.0171659 (680.5208, 5563.1826)(681.52527, 3566.045)(682.5406, 40085.64) 5 679.5161 679.5161@1.0171659 + C40 H26 Cl N9 O 1.017494 [ C40 H26 Cl N9 O, mfg=81.75, overall=81.75 ] (684.203, 2996365.5)(685.2038, 1987409.5)(686.20233, 1496959.8)(687.20215, 849627.06)(688.2011, 545038.2) 37 683.1957 C40 H26 Cl N9 O + 626.2089@1.0181109 1.0181109 (627.2166, 4723.676) 7 626.2089 626.2089@1.0181109 + C24 H23 N20 O4 S 1.0176855 [ C24 H23 N20 O4 S, mfg=93.54, overall=93.54 ] (688.20105, 350533.47)(689.20013, 117808.39)(690.1986, 38580.496)(691.1979, 11071.556)(692.1963, 2933.8713)(693.196, 888.305) 21 687.194 C24 H23 N20 O4 S + C42 H28 Cl N5 S 1.0180839 [ C42 H28 Cl N5 S, mfg=81.09, overall=81.09 ] (670.18585, 10306.903)(671.1868, 6769.018)(672.1812, 6757.0454)(673.1791, 3106.0273)(674.17413, 2289.8516) 33 669.1788 C42 H28 Cl N5 S + 664.5028@1.0190761 1.0190761 (665.511, 2067.925) 2 664.5028 664.5028@1.0190761 + 638.4907@1.019 1.019 (639.4944, 2595.54)(656.5247, 23936.21)(657.528, 11147.17)(658.5417, 36932.98)(661.4825, 1213.96) 1 638.4907 638.4907@1.019 + 800.5438@1.0163387 1.0163387 (801.5483, 3282.0034)(802.5538, 2020.1484)(803.55676, 1146.31) 25 800.5438 800.5438@1.0163387 + C27 H32 N7 O S4 1.0228342 [ C27 H32 N7 O S4, mfg=62.77, overall=62.77 ] (599.1656, 3163.3691)(600.1622, 1693.3766)(601.15845, 1122.4976) 31 598.1587 C27 H32 N7 O S4 + 763.3376@1.02 1.02 (764.3449, 1347.47) 1 763.3376 763.3376@1.02 + C42 H67 N O7 1.0189965 [ C42 H67 N O7, mfg=98.97, overall=98.97 ] (698.499, 54582.13)(699.50244, 25474.037)(700.5073, 6867.989)(701.5132, 1546.4945)(680.4854, 5014.65) 33 697.4919 C42 H67 N O7 + 658.5376@1.0208721 1.0208721 (659.54486, 9862.887) 3 658.5376 658.5376@1.0208721 + C39 H30 Cl N2 O S 1.0207093 [ C39 H30 Cl N2 O S, mfg=85.04, overall=85.04 ] (1219.3645, 722.41)(610.18414, 5989750.5)(611.18506, 3304944.5)(612.1834, 2493287.2)(613.18335, 1066132.0)(614.18207, 560482.9)(627.21655, 6019.72) 37 609.1768 C39 H30 Cl N2 O S + 713.5238@1.021 1.021 (714.5311, 2600.21)(715.5344, 1541.7)(716.5457, 1682.82) 1 713.5238 713.5238@1.021 + 704.4971@1.020206 1.020206 (705.50616, 1448.2201)(706.5105, 1086.97) 3 704.4971 704.4971@1.020206 + 614.1744@1.0213822 1.0213822 (615.1817, 205723.86)(616.1802, 63385.004)(617.17957, 15986.195)(618.1785, 3571.61)(619.1779, 961.22253)(597.1682, 13566.2) 12 614.1744 614.1744@1.0213822 + 834.2324@1.018575 1.018575 (835.2397, 182058.05)(836.23773, 94161.39)(837.2365, 38203.965)(838.23444, 16138.63)(839.23267, 5732.145)(840.2285, 1613.9751) 37 834.2324 834.2324@1.018575 + C42 H64 O7 1.0198683 [ C42 H64 O7, mfg=98.62, overall=98.62 ] (681.4786, 7066.1494)(682.47943, 3378.8904)(683.48334, 1345.2)(698.49927, 138492.69)(699.50256, 65479.945)(700.50775, 17011.893)(701.51276, 4077.64)(703.4562, 1206.128) 25 680.4715 C42 H64 O7 + C53 H70 S 1.023027 [ C53 H70 S, mfg=70.34, overall=70.34 ] (739.5253, 3076.4019)(740.53174, 1652.4247)(741.5352, 1098.8899)(721.5078, 2896.6973)(722.5104, 2282.3542)(723.51465, 806.27)(761.4948, 1639.0) 27 738.5144 C53 H70 S + C45 H29 Cl N O S 1.0225085 [ C45 H29 Cl N O S, mfg=61.96, overall=61.96 ] (667.1762, 1818.1287)(668.17706, 1198.0562)(669.176, 1193.1226) 16 666.1691 C45 H29 Cl N O S + 336.2662@1.0509734 1.0509734 (673.5445, 1651.12)(337.27274, 3106.2053)(338.27908, 1197.3)(359.255, 2371.1) 7 336.2662 336.2662@1.0509734 + 782.4902@1.0185472 1.0185472 (783.49927, 1495.7633)(784.4995, 866.0801) 3 782.4902 782.4902@1.0185472 + C36 H26 Cl N5 S 1.0215199 [ C36 H26 Cl N5 S, mfg=71.13, overall=71.13 ] (1191.3314, 712.9666)(596.1677, 14892.34)(597.1685, 9052.637)(598.16644, 7366.6313) 37 595.1606 C36 H26 Cl N5 S + 831.2338@1.0187911 1.0187911 (832.24084, 491728.66)(833.24207, 395041.56)(834.24023, 341592.47) 37 831.2338 831.2338@1.0187911 + C44 H58 N2 O3 1.0217901 [ C44 H58 N2 O3, mfg=95.16, overall=95.16 ] (663.45337, 32981.176)(664.45715, 15443.227)(665.46063, 4161.5015)(666.4648, 1110.5376)(680.481, 7404.028)(681.4809, 5448.0464)(682.4828, 2708.105)(683.49023, 671.475) 37 662.4464 C44 H58 N2 O3 + 620.5364@1.021146 1.021146 (621.54156, 1638.942)(622.54016, 1286.51)(643.528, 3277.17) 5 620.5364 620.5364@1.021146 + 605.5456@1.0753587 1.0753587 (606.5497, 1781.3875) 4 605.5456 605.5456@1.0753587 + 576.1184@1.0279565 1.0279565 (577.1266, 3788.7722)(578.12683, 2286.0413)(579.1218, 2089.3826)(580.1213, 809.3)(581.1119, 467.18)(594.159, 1348.274)(595.1497, 1364.59) 36 576.1184 576.1184@1.0279565 + C36 H75 N4 S2 1.0219873 [ C36 H75 N4 S2, mfg=92.47, overall=92.47 ] (628.55035, 8416.483)(629.55365, 3624.208)(630.55273, 1856.9546)(650.52905, 2633.7349)(651.5412, 2015.77)(652.5442, 3193.04) 11 627.5433 C36 H75 N4 S2 + 669.3023@1.0234073 1.0234073 (670.31, 1778.08)(671.31256, 1246.162) 6 669.3023 669.3023@1.0234073 + C40 H28 Cl N9 O2 1.0249043 [ C40 H28 Cl N9 O2, mfg=82.25, overall=82.25 ] (702.2143, 65192.4)(703.2149, 41663.938)(704.2128, 33113.16)(705.2133, 9541.77) 35 701.2068 C40 H28 Cl N9 O2 + 620.3031@1.0234451 1.0234451 (621.3103, 6250.9434)(622.31354, 2348.6301)(623.31793, 1113.454) 13 620.3031 620.3031@1.0234451 + C34 H32 N12 S3 1.0247812 [ C34 H32 N12 S3, mfg=87.09, overall=87.09 ] (705.2126, 15053.125)(706.21124, 7161.257)(707.2104, 2707.3882)(708.20654, 1211.3188) 34 704.2052 C34 H32 N12 S3 + 672.1738@1.0203611 1.0203611 (673.17834, 3527.1455)(674.1728, 2264.9275)(675.1721, 1211.8287) 22 672.1738 672.1738@1.0203611 + 1367.3726@1.0247955 1.0247955 (1368.3804, 2564.3699)(1369.3807, 3173.2034)(1370.38, 3518.3823)(1371.3793, 2934.8796)(1372.3788, 2099.437)(1373.3779, 1843.5675)(1374.3773, 1162.79) 29 1367.3726 1367.3726@1.0247955 + C11 H13 N8 S2 1.027975 [ C11 H13 N8 S2, mfg=72.89, overall=72.89 ] (322.07727, 4301.865)(323.07864, 1369.5925)(324.07568, 1059.9393) 32 321.0697 C11 H13 N8 S2 + C19 H16 N O2 S2 1.0300297 [ C19 H16 N O2 S2, mfg=74.43, overall=74.43 ] (355.06934, 8231.447)(356.0704, 2936.9492)(357.06796, 1942.2198) 37 354.062 C19 H16 N O2 S2 + C40 H25 N O2 1.0272053 [ C40 H25 N O2, mfg=62.34, overall=62.34 ] (552.19604, 4532.8354)(553.1972, 2468.4788) 36 551.1888 C40 H25 N O2 + 965.254@1.036315 1.036315 (966.26385, 2307.3481)(967.2616, 2308.6626)(968.2548, 3062.6335)(969.2336, 1154.56)(988.2567, 1453.59) 5 965.254 965.254@1.036315 + 665.5226@1.0359651 1.0359651 (666.5283, 3811.6892)(667.53125, 2084.996)(668.54425, 5334.0527)(669.5492, 2375.5122)(670.5596, 4263.63)(683.5489, 2933.73) 18 665.5226 665.5226@1.0359651 + Glycidyl oleate 1.119708 C19426 Glycidyl oleate [ C21 H38 O3, mfg=40.69, db=40.57, overall=40.63, CAS ID=5431-33-4, KEGG ID=C19426, METLIN ID=73127 ] 5431-33-4 (339.288, 4362.093)(340.2877, 1722.903)(321.27545, 1440.5801)(356.3142, 995.17505) 19 338.281 Glycidyl oleate + C41 H67 N O2 S2 1.030388 [ C41 H67 N O2 S2, mfg=80.57, overall=80.57 ] (670.46826, 12278.09)(671.472, 5739.8276)(672.47455, 2049.4373)(673.4713, 2058.41) 32 669.4605 C41 H67 N O2 S2 + 943.7646@1.028481 1.028481 (944.7677, 2552.0732)(945.7719, 1626.2511)(966.756, 3573.74)(967.7561, 3172.44)(968.7672, 4677.23)(969.7728, 2105.58)(970.7805, 1231.8) 9 943.7646 943.7646@1.028481 + 616.5048@1.0256883 1.0256883 (617.51324, 2266.271)(618.512, 1718.2666)(619.5241, 2234.394)(634.5389, 20199.441)(635.5418, 9506.839)(636.55505, 40840.21)(637.55896, 16785.332)(638.57025, 17624.033)(639.4959, 1416.4833) 13 616.5048 616.5048@1.0256883 + 600.5135@1.0293033 1.0293033 (601.5203, 3687.6199)(602.52747, 1765.4751)(603.5311, 1934.02)(623.5016, 1729.68) 3 600.5135 600.5135@1.0293033 + C18 H19 N16 O3 S 1.0255554 [ C18 H19 N16 O3 S, mfg=94.76, overall=94.76 ] (540.1631, 307920.66)(541.1624, 83768.08)(542.16113, 23428.064)(543.16077, 5382.1226)(544.15936, 1180.732) 33 539.1559 C18 H19 N16 O3 S + C26 H10 N2 S2 1.0247308 [ C26 H10 N2 S2, mfg=71.86, overall=71.86 ] (415.0363, 4719.1997)(416.03693, 1904.6311)(417.03476, 1485.161) 34 414.0291 C26 H10 N2 S2 + C36 H24 Cl N2 O 1.0252484 [ C36 H24 Cl N2 O, mfg=84.23, overall=84.23 ] (1071.3281, 1321.9043)(536.1654, 5611699.0)(537.1661, 2770064.8)(538.16406, 1985648.9)(539.16437, 754456.5)(553.197, 3480.077) 37 535.1579 C36 H24 Cl N2 O + 592.5003@1.026 1.026 (593.5076, 1763.34) 1 592.5003 592.5003@1.026 + C42 H23 Cl N O 1.0273122 [ C42 H23 Cl N O, mfg=63.79, overall=63.79 ] (593.1572, 2667.0286)(594.15814, 1603.0507)(595.1515, 1613.7434) 33 592.1498 C42 H23 Cl N O + C24 H30 N4 O S4 1.0265993 [ C24 H30 N4 O S4, mfg=73.78, overall=73.78 ] (1037.2698, 1272.325)(1038.2709, 1169.57)(1039.2898, 1381.58)(519.1384, 30969.588)(520.1392, 15128.968)(521.1361, 11837.914) 37 518.1311 C24 H30 N4 O S4 + C33 H15 Cl N4 1.0255456 [ C33 H15 Cl N4, mfg=81.05, overall=81.05 ] (1027.1925, 728.4)(503.10715, 27919.32)(504.1079, 13559.06)(505.10568, 9341.274)(506.1062, 3766.4849) 37 502.0999 C33 H15 Cl N4 + C33 H65 N7 O3 1.0251486 [ C33 H65 N7 O3, mfg=60.87, overall=60.87 ] (608.5224, 5451.3994)(609.5228, 2859.225)(630.5084, 1155.12)(631.5086, 979.4)(632.5241, 4540.75)(633.5277, 1892.61) 20 607.5174 C33 H65 N7 O3 + 913.2432@1.029104 1.029104 (914.25, 2409.418)(915.2488, 979.21497) 5 913.2432 913.2432@1.029104 + 663.5767@1.0254021 1.0254021 (664.58344, 3345.36)(665.5878, 2024.93)(666.5986, 2046.95) 2 663.5767 663.5767@1.0254021 + 1370.3723@1.0236418 1.0236418 (1371.3793, 2930.9114)(1372.3785, 2057.7148)(1373.378, 1284.8883)(1374.379, 621.4) 8 1370.3723 1370.3723@1.0236418 + C28 H29 N2 O2 S3 1.0267345 [ C28 H29 N2 O2 S3, mfg=79.67, overall=79.67 ] (1043.2949, 1568.49)(1044.2827, 1226.06)(522.1464, 11169.553)(523.14655, 5143.0186)(524.14667, 3534.1895)(525.14514, 850.4) 37 521.1396 C28 H29 N2 O2 S3 + C31 H23 N S3 1.0266759 [ C31 H23 N S3, mfg=66.42, overall=66.42 ] (506.10556, 3732.8223)(507.10324, 1641.9153)(508.1092, 1093.89) 31 505.0984 C31 H23 N S3 + C9 H10 N7 S2 1.0293694 [ C9 H10 N7 S2, mfg=77.35, overall=77.35 ] (578.12714, 2064.55)(579.1234, 1242.025)(580.1233, 728.14)(281.05103, 9438.155)(282.05185, 2438.7522)(283.0491, 1646.5521) 35 280.0438 C9 H10 N7 S2 + C30 H65 N8 S 1.0338838 [ C30 H65 N8 S, mfg=47.61, overall=47.61 ] (570.50775, 7229.3574)(571.5094, 2987.0752)(572.5092, 2563.4622)(573.4897, 1664.61)(574.4965, 820.43)(587.53906, 1093.8049)(592.4907, 1436.75)(593.5064, 1133.63) 31 569.5004 C30 H65 N8 S + 621.5301@1.0744964 1.0744964 (622.53925, 1871.8866)(623.54987, 1293.1901)(624.5531, 2106.61) 3 621.5301 621.5301@1.0744964 + 573.5336@1.0280801 1.0280801 (574.5386, 2413.568)(575.5403, 1446.5718)(596.5224, 2762.8833)(597.52563, 1254.3768)(598.5386, 3675.434)(599.5399, 1552.282) 23 573.5336 573.5336@1.0280801 + 638.5667@1.0279167 1.0279167 (639.5736, 5603.6177)(640.5677, 5089.35)(641.5625, 3258.1501)(661.5576, 2003.15) 5 638.5667 638.5667@1.0279167 + 601.562@1.0304166 1.0304166 (602.56915, 2132.0168)(603.57367, 1334.1995)(604.5504, 1791.39)(624.5553, 1849.428)(625.55505, 911.915)(626.5369, 2204.335) 20 601.562 601.562@1.0304166 + 689.5196@1.050569 1.050569 (690.5256, 1700.875)(691.5283, 1009.37335)(692.5266, 1383.2)(712.4973, 1206.16) 4 689.5196 689.5196@1.050569 + 574.4929@1.0315422 1.0315422 (575.5019, 2741.0364)(576.4979, 2012.77) 3 574.4929 574.4929@1.0315422 + 917.7467@1.0317007 1.0317007 (918.7531, 6769.871)(919.75726, 4595.247)(920.76794, 7355.91)(940.7385, 2247.23)(941.7424, 1660.81)(942.7532, 2806.58)(943.757, 1531.3)(944.7673, 1188.16) 14 917.7467 917.7467@1.0317007 + C38 H76 Cl N3 O2 1.0306484 [ C38 H76 Cl N3 O2, mfg=72.77, overall=72.77 ] (642.57043, 5080.152)(643.5709, 2463.5522)(644.5678, 1784.3999)(624.5601, 1458.95) 11 641.5646 C38 H76 Cl N3 O2 + C35 H76 Cl N6 1.0305308 [ C35 H76 Cl N6, mfg=68.58, overall=68.58 ] (616.58075, 2354.529)(617.58844, 1233.1481)(618.5658, 2308.807)(619.5689, 2118.41)(638.57074, 9904.2)(639.57355, 4182.9536)(640.56274, 3486.11) 17 615.5808 C35 H76 Cl N6 + 559.5169@1.0299003 1.0299003 (560.5232, 2142.131)(561.52484, 1067.007)(562.5245, 877.035)(577.5506, 1567.7)(582.5067, 2149.1165)(583.5123, 1951.16)(584.5231, 6158.79)(585.5282, 2392.84) 14 559.5169 559.5169@1.0299003 + C34 H73 N3 O2 S 1.0294679 [ C34 H73 N3 O2 S, mfg=65.01, overall=65.01 ] (588.5535, 4387.2905)(589.55676, 1963.3303)(590.53705, 1484.9401) 21 587.5472 C34 H73 N3 O2 S + C47 H28 Cl 1.033853 [ C47 H28 Cl, mfg=87.56, overall=87.56 ] (628.1951, 80141.88)(629.1955, 43587.09)(630.19366, 33655.14)(631.1936, 12585.378) 34 627.1879 C47 H28 Cl + 695.5842@1.0361644 1.0361644 (696.5959, 3361.825)(697.60144, 2222.101)(698.60565, 5936.195)(699.6087, 1169.42) 12 695.5842 695.5842@1.0361644 + 2-(3''-Methylthio)propylmalic acid 1.0295202 C17214 2-(3''-Methylthio)propylmalic acid [ C8 H14 O5 S, mfg=47.45, db=47.28, overall=47.37, CAS ID=, KEGG ID=C17214, METLIN ID=64493 ] (462.14594, 8934.019) 27 461.1388 2-(3''-Methylthio)propylmalic acid + C31 H26 N12 S2 1.0338054 [ C31 H26 N12 S2, mfg=90.12, overall=90.12 ] (631.19354, 14417.802)(632.19226, 6240.4697)(633.19116, 2240.8123)(634.18896, 803.76) 29 630.1863 C31 H26 N12 S2 + 1022.2957@1.0278473 1.0278473 (1023.3022, 2184.2532)(1024.3048, 1444.5299) 3 1022.2957 1022.2957@1.0278473 + 641.4315@1.0319705 1.0319705 (1283.8564, 802.48)(642.4383, 2250.4666)(643.4417, 1277.5267) 9 641.4315 641.4315@1.0319705 + C34 H69 N11 1.0345887 [ C34 H69 N11, mfg=64.51, overall=64.51 ] (632.5802, 3417.8037)(633.5833, 1866.8541) 22 631.5732 C34 H69 N11 + 618.5588@1.033 1.033 (619.5661, 2023.1)(620.5747, 1035.02) 1 618.5588 618.5588@1.033 + 499.4593@1.03821 1.03821 (500.46613, 2125.659)(501.46997, 1104.35)(522.4451, 813.28) 10 499.4593 499.4593@1.03821 + 919.3039@1.0294669 1.0294669 (920.3103, 2125.9434)(921.31134, 1891.7621)(922.2963, 4006.5898)(923.2955, 2298.74) 22 919.3039 919.3039@1.0294669 + 553.5055@1.1121963 1.1121963 (554.5123, 1630.0399)(555.5164, 975.32)(556.493, 3523.09)(536.5025, 4585.223)(537.5076, 1550.9434)(538.517, 3069.58) 6 553.5055 553.5055@1.1121963 + 541.4708@1.0431098 1.0431098 (542.4754, 3693.2666)(543.48004, 1696.821)(544.474, 2723.68)(564.4591, 2683.1099)(565.4623, 1228.34) 9 541.4708 541.4708@1.0431098 + C35 H73 N4 S2 1.0402172 [ C35 H73 N4 S2, mfg=92.74, overall=92.74 ] (614.5359, 11862.412)(615.539, 4906.459)(616.53394, 2228.2698)(631.5641, 1476.6466)(632.5657, 2008.18) 22 613.5265 C35 H73 N4 S2 + 908.2505@1.0254298 1.0254298 (909.25806, 100007.28)(910.2561, 54659.0)(911.25464, 24319.014)(912.2528, 11217.816)(913.2523, 5145.914)(914.2446, 1002.29) 36 908.2505 908.2505@1.0254298 + 543.4862@1.0387108 1.0387108 (544.49207, 4181.1177)(545.4939, 1972.1523)(546.5053, 1378.783)(526.48083, 1215.6951)(527.4894, 961.77)(566.4748, 1535.5366) 20 543.4862 543.4862@1.0387108 + 446.3394@1.0392191 1.0392191 (447.34665, 26881.02)(448.3498, 9138.407)(449.3497, 2981.746)(469.3227, 2160.13) 7 446.3394 446.3394@1.0392191 + 750.2771@1.0381464 1.0381464 (751.2842, 1567.285)(752.28687, 907.51746)(753.2839, 1738.5176)(754.2867, 524.05) 6 750.2771 750.2771@1.0381464 + 645.5876@1.0371797 1.0371797 (646.5948, 2630.4568)(647.5966, 1626.774) 13 645.5876 645.5876@1.0371797 + 715.6224@1.0448303 1.0448303 (716.6334, 2637.11)(717.6406, 1330.22)(718.6497, 1672.46) 2 715.6224 715.6224@1.0448303 + C35 H44 N13 O S 1.0436454 [ C35 H44 N13 O S, mfg=99.74, overall=49.87 ] (695.35834, 21840.52)(696.3611, 9677.651)(697.3608, 3027.7922)(698.36017, 897.35474) 35 694.3509 C35 H44 N13 O S + 905.2523@1.0265961 1.0265961 (906.2595, 217491.67)(907.2601, 191701.5)(908.25836, 174575.8) 36 905.2523 905.2523@1.0265961 + C36 H48 N2 O S2 1.0422142 [ C36 H48 N2 O S2, mfg=81.74, overall=81.74 ] (589.3272, 4944.4775)(590.3318, 2201.8167)(591.3393, 1006.375) 30 588.3197 C36 H48 N2 O S2 + C28 H20 N12 S 1.04135 [ C28 H20 N12 S, mfg=81.94, overall=81.94 ] (557.17487, 9253.11)(558.1732, 3667.6191)(559.17145, 1408.8385) 34 556.1672 C28 H20 N12 S + C36 H26 Cl N2 O2 1.0415134 [ C36 H26 Cl N2 O2, mfg=81.88, overall=81.88 ] (554.1758, 69678.125)(555.1766, 35101.414)(556.1745, 24396.77)(557.175, 8136.6) 37 553.1687 C36 H26 Cl N2 O2 + C20 H20 N O2 S2 1.0423241 [ C20 H20 N O2 S2, mfg=77.19, overall=77.19 ] (741.1935, 1322.58)(742.1954, 1068.19)(743.1938, 1004.16)(371.10068, 53775.37)(372.10168, 19587.71)(373.0993, 12580.312)(374.0999, 3762.8457) 37 370.0935 C20 H20 N O2 S2 + 2-(3''-Methylthio)propylmalic acid + 1.0449985 1.0449985 C17214 2-(3''-Methylthio)propylmalic acid [ C8 H14 O5 S, mfg=71.74, db=71.74, overall=71.74, CAS ID=, KEGG ID=C17214, METLIN ID=64493 ] (445.11966, 14046.888)(446.1205, 6300.042)(447.1175, 4465.1357)(448.1182, 1206.2676)(223.06363, 18776.21)(224.06453, 4273.8184)(225.06189, 2450.5793)(226.06447, 554.36664) 37 222.0563 2-(3''-Methylthio)propylmalic acid + 1.0449985 + 1299.3864@1.0417498 1.0417498 (1300.3917, 2150.1475) 12 1299.3864 1299.3864@1.0417498 + 607.4453@1.0455418 1.0455418 (608.45294, 12286.992)(609.45703, 5715.3823)(610.4628, 11307.62) 33 607.4453 607.4453@1.0455418 + 1283.4034@1.0397662 1.0397662 (1284.4108, 7661.179)(1285.4086, 680.62665)(1294.4005, 37972.96)(1286.409, 20815.95)(1287.4069, 1669.09)(1288.4071, 36493.78)(1289.4049, 2663.6199)(1290.405, 52293.3)(1291.4, 3702.63)(1292.403, 49882.19)(1293.3975, 4086.24) 31 1283.4034 1283.4034@1.0397662 + 583.4085@1.0524548 1.0524548 (584.4162, 6725.917)(585.4189, 3102.0164)(586.4216, 3713.8423)(601.444, 1164.075)(606.3958, 2157.5) 25 583.4085 583.4085@1.0524548 + Diisooctyl phthalate 1.0447284 C14577 Diisooctyl phthalate [ C24 H38 O4, mfg=98.86, db=98.85, overall=98.86, CAS ID=27554-26-3, KEGG ID=C14577, METLIN ID=70172 ] 27554-26-3 (781.5508, 872.7)(803.545, 977.3467)(391.28397, 155208.95)(392.28717, 43676.953)(393.29233, 7399.8223)(394.29446, 1280.8242)(413.26624, 7800.91)(414.2705, 2644.176) 37 390.2765 Diisooctyl phthalate + C34 H51 N12 1.047927 [ C34 H51 N12, mfg=69.51, overall=69.51 ] (628.442, 5414.2085)(629.44574, 2538.986) 14 627.4355 C34 H51 N12 + C33 H38 O6 1.0460254 [ C33 H38 O6, mfg=99.69, overall=99.69 ] (531.2738, 95713.164)(532.27734, 34968.348)(533.28143, 8892.813)(534.2865, 1691.641)(548.3006, 89480.79)(549.3038, 33017.555)(550.3077, 7515.773)(551.3199, 1533.2877)(553.25574, 923.48895) 37 530.2667 C33 H38 O6 + C27 H36 N14 O5 1.045007 [ C27 H36 N14 O5, mfg=97.87, overall=97.87 ] (1273.6017, 14489.074)(1274.6055, 10826.392)(1275.6086, 4461.52)(1276.6123, 1630.5123)(1277.6162, 667.735)(1290.6292, 162979.77)(1291.6326, 153550.1)(1292.6349, 49978.367)(1293.63, 15863.8955)(1294.6245, 5225.922)(1295.5981, 1743.7933)(1295.5913, 1751.45)(637.30554, 444864.6)(638.3088, 163798.1)(639.31177, 36453.164)(640.3148, 6364.1284)(641.318, 971.654)(654.332, 2110462.8)(655.3357, 793127.25)(656.3382, 173581.8)(657.341, 29071.902)(658.3442, 4450.328)(659.341, 390.79)(659.28723, 5403.3096)(660.2904, 2284.52) 36 636.2981 C27 H36 N14 O5 + Ascidiacyclamide 1.0455271 C15738 Ascidiacyclamide [ C36 H52 N8 O6 S2, db=64.20, overall=64.20, CAS ID=86701-12-4, KEGG ID=C15738, METLIN ID=71069 ] 86701-12-4 (757.3489, 11463.402)(758.35077, 7031.414)(759.35205, 2364.3076) 31 756.3415 Ascidiacyclamide + C36 H57 N2 O8 S2 1.045548 [ C36 H57 N2 O8 S2, mfg=89.26, overall=89.26 ] (710.36224, 4009.042)(711.3656, 1786.6488)(712.36566, 1008.59) 21 709.3558 C36 H57 N2 O8 S2 + C29 H22 N2 S2 1.048538 [ C29 H22 N2 S2, mfg=79.51, overall=79.51 ] (463.13092, 29446.693)(464.13214, 13311.928)(465.1294, 8348.226)(466.13016, 2498.9084)(480.15704, 8656.441)(481.15778, 3869.714)(482.15536, 2656.2454)(483.15677, 1313.4434)(485.11246, 1520.515) 37 462.1232 C29 H22 N2 S2 + C8 H4 O3 1.0517312 [ C8 H4 O3, mfg=94.27, overall=94.27 ] (149.02342, 32380.242)(150.02776, 2934.0652)(151.03622, 733.71405) 35 148.0162 C8 H4 O3 + 675.597@1.0637581 1.0637581 (676.60095, 1724.3473)(677.60297, 823.6667)(678.59357, 865.92)(698.5857, 1559.32)(699.5985, 1164.34) 7 675.597 675.597@1.0637581 + 587.5246@1.0507106 1.0507106 (588.5193, 2803.0073)(589.5231, 1392.6718)(590.53406, 1211.41)(605.5523, 1046.49) 8 587.5246 587.5246@1.0507106 + 1608.7739@1.0470507 1.0470507 (1609.7809, 59982.473)(1610.7838, 20046.121)(1611.7664, 10199.075)(1612.7607, 6817.036)(1613.7502, 8299.05) 7 1608.7739 1608.7739@1.0470507 + 567.414@1.0508355 1.0508355 (568.42145, 10668.587)(569.4241, 4635.321)(570.4306, 6675.13) 24 567.414 567.414@1.0508355 + 1608.2717@1.047669 1.047669 (1609.2789, 49629.914)(1610.282, 31622.322)(1611.2792, 9404.202)(1612.2626, 4187.663)(1613.2601, 2204.5498) 14 1608.2717 1608.2717@1.047669 + C28 H37 N22 1.0499544 [ C28 H37 N22, mfg=72.76, overall=72.76 ] (682.36383, 5457.572)(683.368, 2294.6497) 24 681.3566 C28 H37 N22 + 1444.3903@1.0484848 1.0484848 (1445.3981, 3374.8462)(1446.3969, 2329.885)(1447.3965, 1583.0651)(1448.3945, 1196.545)(1449.3969, 494.01) 8 1444.3903 1444.3903@1.0484848 + Primflasine 1.049438 Primflasine [ C31 H36 O19, db=19.76, overall=19.76, Lipid ID=LMPK12111743, METLIN ID=50159 ] (1442.3989, 2134.9573)(1443.3993, 2836.2808)(1444.3986, 3386.2896)(1445.398, 2767.1973)(1446.3972, 2006.3395)(1447.397, 1096.72)(1448.3926, 683.93) 30 1441.3907 Primflasine + LMPK12111743 C10 H14 N7 S2 1.0494878 [ C10 H14 N7 S2, mfg=78.80, overall=78.80 ] (297.08212, 15541.946)(298.08325, 4311.5464)(299.07983, 2770.3203)(300.08167, 824.47) 28 296.0748 C10 H14 N7 S2 + 985.2662@1.0363581 1.0363581 (986.27277, 8689.112)(987.26904, 3265.0852)(988.2671, 1584.05) 4 985.2662 985.2662@1.0363581 + 328.1517@1.0514228 1.0514228 (329.15952, 6097.1123)(330.1637, 1726.1377)(331.1487, 1663.7) 16 328.1517 328.1517@1.0514228 + 783.6052@1.0540373 1.0540373 (1585.2588, 897.77)(1586.2574, 866.22)(784.6204, 1942.5358)(785.62445, 1195.1315)(786.6006, 1198.33) 7 783.6052 783.6052@1.0540373 + C20 H34 O8 1.0521789 [ C20 H34 O8, mfg=94.46, overall=94.46 ] (403.2325, 40714.344)(404.23645, 10044.921)(405.23453, 2718.7458)(425.21524, 2041.7605)(426.2174, 1001.205) 32 402.2252 C20 H34 O8 + C27 H53 Cl2 N O3 1.0623721 [ C27 H53 Cl2 N O3, mfg=59.25, overall=29.63 ] (510.34317, 5912.9956)(511.34903, 2588.045)(512.3558, 3798.71) 11 509.3357 C27 H53 Cl2 N O3 + 982.2694@1.0379604 1.0379604 (983.2769, 92161.61)(984.2755, 52274.58)(985.27386, 24089.672)(986.2711, 10691.844)(987.2683, 4882.8013)(988.2722, 3321.3997) 36 982.2694 982.2694@1.0379604 + 551.3505@1.0521402 1.0521402 (552.3551, 7291.135)(553.3553, 4398.91) 4 551.3505 551.3505@1.0521402 + C31 H22 O 1.0549653 [ C31 H22 O, mfg=78.99, overall=78.99 ] (411.1741, 5295.7275)(412.17865, 1608.4176)(428.199, 1870.9591)(429.20026, 1044.575) 30 410.166 C31 H22 O + 979.2708@1.0384614 1.0384614 (980.27765, 168925.27)(981.2787, 155529.53)(982.27747, 149242.2) 37 979.2708 979.2708@1.0384614 + 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde 1.0519689 C11509 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde [ C29 H48 O2, mfg=90.18, db=90.16, overall=90.17, Lipid ID=LMST01010204, KEGG ID=C11509, METLIN ID=57646 ] (429.37222, 67196.91)(430.3747, 24171.127)(431.37448, 5227.934) 37 428.365 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde + LMST01010204 969.7724@1.0564688 1.0564688 (970.7803, 1697.2466)(971.78107, 1135.93)(972.7871, 1632.865)(973.7798, 715.845)(974.8131, 930.76)(992.7573, 852.67)(993.7499, 764.5) 6 969.7724 969.7724@1.0564688 + C35 H62 Cl N3 O4 1.0506839 [ C35 H62 Cl N3 O4, mfg=69.42, overall=34.71 ] (624.4478, 10453.376)(625.4515, 4807.2607)(626.4595, 3922.884) 31 623.4398 C35 H62 Cl N3 O4 + C25 H52 Cl N6 1.0545964 [ C25 H52 Cl N6, mfg=68.63, overall=68.63 ] (472.39835, 8075.194)(473.40125, 2945.5688)(474.40704, 2475.24)(454.3882, 1935.42) 32 471.391 C25 H52 Cl N6 + 755.2331@1.043503 1.043503 (756.2402, 2042.5613)(757.2446, 932.76996) 8 755.2331 755.2331@1.043503 + C35 H72 Cl N2 O3 S2 1.0561421 [ C35 H72 Cl N2 O3 S2, mfg=71.00, overall=71.00 ] (668.4747, 5006.0576)(669.47675, 2627.5525)(670.47516, 3641.39)(650.4681, 1248.73) 33 667.4677 C35 H72 Cl N2 O3 S2 + C38 H61 N5 O4 1.0533817 [ C38 H61 N5 O4, mfg=60.55, overall=60.55 ] (652.48004, 5090.2007)(653.48065, 2877.8545) 31 651.4721 C38 H61 N5 O4 + 401.3091@1.0837333 1.0837333 (402.31036, 6444.0913)(403.3151, 3368.3655)(404.3006, 27160.16) 13 401.3091 401.3091@1.0837333 + 493.3073@1.083609 1.083609 (494.31305, 3731.3037)(495.31436, 2156.842)(496.31625, 2797.595)(511.3345, 1486.23) 8 493.3073 493.3073@1.083609 + 552.2583@1.1053231 1.1053231 (553.26465, 1460.645)(535.2548, 11909.27)(536.2583, 3843.81)(537.2644, 1552.13) 2 552.2583 552.2583@1.1053231 + C28 H17 Cl 1.0549396 [ C28 H17 Cl, mfg=74.93, overall=37.46 ] (389.1112, 5898.503)(390.11414, 2445.536)(391.111, 1959.5275)(392.1095, 622.21) 25 388.1042 C28 H17 Cl + 803.6984@1.0616637 1.0616637 (804.70026, 1967.83)(805.70435, 1287.16) 2 803.6984 803.6984@1.0616637 + 993.3214@1.0510653 1.0510653 (994.3288, 1200.5162)(995.3301, 1121.6927)(996.3245, 1291.1001) 13 993.3214 993.3214@1.0510653 + 515.4168@1.0599891 1.0599891 (516.4242, 16060.459)(517.4272, 6174.8223)(518.4191, 6871.0386)(519.4256, 3769.3052)(520.4115, 3554.81)(498.4123, 2782.05) 22 515.4168 515.4168@1.0599891 + 811.6266@1.0605087 1.0605087 (812.63226, 2331.9475)(813.6394, 1364.7524)(814.63434, 1611.0566)(815.6448, 715.86)(829.6596, 708.48) 4 811.6266 811.6266@1.0605087 + C33 H38 O7 1.058998 [ C33 H38 O7, mfg=90.22, overall=90.22 ] (547.2693, 7199.421)(548.2696, 8082.61)(564.2954, 32332.186)(565.2994, 12553.134)(566.3067, 3785.3948)(567.3126, 1234.4099)(569.2525, 1429.3116)(570.2547, 1059.16) 34 546.2614 C33 H38 O7 + 943.7618@1.058906 1.058906 (944.7677, 2025.8638)(945.7708, 1565.1432)(946.784, 4492.04)(947.78644, 2772.425)(948.79724, 2807.6802)(966.7537, 768.2) 8 943.7618 943.7618@1.058906 + C27 H42 N6 O13 1.0569907 [ C27 H42 N6 O13, mfg=94.10, overall=94.10 ] (659.2871, 20587.936)(660.2909, 7707.0537)(661.29456, 2158.0212)(662.29645, 715.37994) 34 658.2799 C27 H42 N6 O13 + 597.2639@1.0611343 1.0611343 (598.2702, 2493.9858)(599.2772, 1154.3201) 16 597.2639 597.2639@1.0611343 + Dibutyl phthalate 1.0597287 C14214 Dibutyl phthalate [ C16 H22 O4, mfg=91.20, db=91.20, overall=91.20, CAS ID=84-74-2, KEGG ID=C14214, METLIN ID=69881 ] 84-74-2 (557.30774, 1071.775)(279.15912, 27778.742)(280.16296, 5560.442)(281.16785, 1904.4587)(301.1426, 1239.9651) 36 278.1519 Dibutyl phthalate + 667.3047@1.0560665 1.0560665 (668.31287, 2608.7686)(669.3287, 1703.4442) 9 667.3047 667.3047@1.0560665 + 250.0396@1.0601326 1.0601326 (251.04689, 8120.854)(252.04771, 1411.0892) 24 250.0396 250.0396@1.0601326 + 396.1941@1.0579674 1.0579674 (397.2014, 5229.445)(398.20554, 1725.4086)(399.19708, 6780.177)(400.1994, 1888.24)(414.2267, 5839.4053) 26 396.1941 396.1941@1.0579674 + 579.4935@1.0859385 1.0859385 (580.50006, 2423.7012)(581.5105, 1361.9167)(582.5062, 1842.22) 8 579.4935 579.4935@1.0859385 + C37 H73 S3 1.0819327 [ C37 H73 S3, mfg=67.31, overall=67.31 ] (614.4919, 6763.1772)(615.4971, 3507.2485)(616.50006, 2684.6619)(636.47485, 2548.45)(637.4823, 1913.27)(638.48486, 1280.615) 14 613.4861 C37 H73 S3 + 583.4658@1.0895883 1.0895883 (584.47473, 9095.283)(585.47546, 3653.0378)(586.45996, 3515.055) 5 583.4658 583.4658@1.0895883 + 559.5678@1.0626631 1.0626631 (560.5741, 1555.87)(561.57654, 816.13) 2 559.5678 559.5678@1.0626631 + 1056.2882@1.0526159 1.0526159 (1057.2955, 82042.2)(1058.2943, 47082.09)(1059.2932, 22316.977)(1060.2922, 10198.853)(1061.2911, 4673.635)(1062.29, 702.77) 31 1056.2882 1056.2882@1.0526159 + 1053.2888@1.0525334 1.0525334 (1054.2964, 117923.93)(1055.2971, 122601.07)(1056.2961, 116974.086)(1057.2955, 36412.0)(1058.2947, 21191.354)(1059.2938, 9686.365)(1060.2927, 4291.09)(1061.2922, 1303.29)(1071.3306, 887.09) 36 1053.2888 1053.2888@1.0525334 + 769.5967@1.054469 1.054469 (770.59845, 1654.7833)(771.60333, 1024.89)(772.5949, 1429.905) 6 769.5967 769.5967@1.054469 + 312.1349@1.0625573 1.0625573 (313.14212, 6880.325)(314.14774, 1700.1047) 13 312.1349 312.1349@1.0625573 + 529.4319@1.0638753 1.0638753 (530.4381, 5740.5947)(552.4214, 3138.9275) 13 529.4319 529.4319@1.0638753 + 700.4574@1.064 1.064 (701.4647, 1970.56) 1 700.4574 700.4574@1.064 + 1060.2847@1.0472581 1.0472581 (1061.2881, 3906.615)(1062.2852, 1453.6187)(1063.2885, 1162.29) 8 1060.2847 1060.2847@1.0472581 + 713.6077@1.0710745 1.0710745 (714.61426, 19810.1)(715.6168, 9221.726)(716.62634, 4665.9785)(717.61615, 4140.5146)(736.5829, 1575.67) 17 713.6077 713.6077@1.0710745 + 867.7316@1.060831 1.060831 (868.7387, 4100.9854)(869.74023, 2773.8892)(870.75385, 19512.312)(871.7571, 15023.108)(885.7687, 605.92) 14 867.7316 867.7316@1.060831 + C26 H14 N3 1.0627741 [ C26 H14 N3, mfg=78.12, overall=78.12 ] (369.1248, 7657.457)(370.1286, 1928.0588)(386.1529, 1705.6862)(387.15515, 1127.025) 27 368.1179 C26 H14 N3 + 571.4388@1.0658069 1.0658069 (572.44653, 6110.785)(594.4317, 3018.06)(595.4302, 2061.92) 2 571.4388 571.4388@1.0658069 + C25 H56 Cl N5 O4 1.0761272 [ C25 H56 Cl N5 O4, mfg=68.84, overall=68.84 ] (526.40967, 17341.648)(527.4083, 7475.7085)(528.41, 8290.049)(508.3979, 4012.4355)(509.4085, 2334.3875)(543.4397, 2024.065)(548.3927, 4204.026)(549.40063, 2310.0532)(550.4039, 2803.0867) 22 525.4029 C25 H56 Cl N5 O4 + 593.3905@1.0976511 1.0976511 (594.3934, 3584.5522)(595.3919, 1907.234)(611.4275, 1425.965) 5 593.3905 593.3905@1.0976511 + 855.7233@1.0580627 1.0580627 (856.7331, 1764.4365)(857.7382, 1189.7001)(858.75, 1954.64) 3 855.7233 855.7233@1.0580627 + TG(18:2(9Z,12Z)/14:0/18:2(9Z,12Z))[iso3] 1.0698285 TG(18:2(9Z,12Z)/14:0/18:2(9Z,12Z))[iso3] [ C53 H94 O6, db=37.06, overall=37.06, HMP ID=HMDB10470, METLIN ID=61768 ] (844.7376, 3208.1687)(845.74066, 1937.5675)(846.7536, 4567.173)(847.75684, 2733.7031)(848.7669, 2279.51) 18 843.7317 TG(18:2(9Z,12Z)/14:0/18:2(9Z,12Z))[iso3] HMDB10470 + C32 H55 N O S 1.0618259 [ C32 H55 N O S, mfg=73.37, overall=73.37 ] (502.4082, 10804.338)(503.40994, 5584.739)(504.415, 2369.1267)(519.4391, 1989.6951)(524.39343, 18322.443)(525.3953, 7575.8965)(526.3988, 10744.061) 26 501.4018 C32 H55 N O S + C22 H41 N5 O 1.0676577 [ C22 H41 N5 O, mfg=61.02, overall=61.02 ] (392.33554, 5336.298)(393.33636, 2303.4912)(394.34595, 3013.2634)(409.36395, 1727.7029)(410.3686, 741.32)(414.31998, 3468.0923) 17 391.3296 C22 H41 N5 O + 863.7574@1.061644 1.061644 (864.7635, 1367.065)(865.76654, 976.7933)(866.7785, 1372.8401)(867.7821, 257.64) 8 863.7574 863.7574@1.061644 + C22 H42 N6 O 1.0676335 [ C22 H42 N6 O, mfg=47.53, overall=47.53 ] (830.7202, 1012.88007)(407.35138, 2464.9)(408.35736, 1512.9398)(409.3642, 1832.64)(389.34525, 2298.0051)(429.33142, 2807.745) 19 406.3427 C22 H42 N6 O + Isosafrole 1.066141 C10472 Isosafrole [ C10 H10 O2, mfg=77.67, db=77.66, overall=77.67, CAS ID=120-58-1, KEGG ID=C10472, HMP ID=HMDB02333, METLIN ID=58118 ] 120-58-1 (163.07549, 16040.876)(164.07878, 2149.6646)(165.06569, 1067.0486) 24 162.0682 Isosafrole HMDB02333 + C19 H37 N8 1.065892 [ C19 H37 N8, mfg=47.60, overall=47.60 ] (378.32108, 4980.288)(379.32007, 2510.6345)(380.32892, 1311.7855)(395.35037, 2284.5688)(396.34415, 1845.405)(397.3406, 2189.09)(400.30325, 2941.6086) 30 377.314 C19 H37 N8 + 946.2781@1.0655174 1.0655174 (947.28516, 6908.28)(948.286, 6361.7925)(949.2844, 5688.01)(950.284, 2657.99)(951.28314, 1569.855)(969.2593, 872.83) 4 946.2781 946.2781@1.0655174 + 478.3653@1.0605552 1.0605552 (479.3704, 20853.996)(480.37418, 15467.518)(481.37698, 5800.64) 9 478.3653 478.3653@1.0605552 + C29 H48 Cl N2 1.0749849 [ C29 H48 Cl N2, mfg=63.53, overall=63.53 ] (460.3608, 12312.795)(461.36288, 6071.6533)(462.35562, 4842.9585)(442.3492, 4024.9033)(477.3927, 1781.27)(482.34482, 5990.0093)(483.35806, 3429.4897) 26 459.3551 C29 H48 Cl N2 + 1023.2955@1.0483788 1.0483788 (1024.303, 2946.545)(1025.3019, 1860.4913)(1026.3014, 1232.548) 8 1023.2955 1023.2955@1.0483788 + 1095.317@1.0588323 1.0588323 (1096.3231, 2436.3745)(1097.3219, 2606.7)(1098.3207, 2070.062)(1099.3223, 701.3) 7 1095.317 1095.317@1.0588323 + Deoxymiroestrol 1.0675449 C18164 Deoxymiroestrol [ C20 H22 O5, mfg=71.11, db=71.10, overall=71.11, KEGG ID=C18164, METLIN ID=72068 ] (685.30566, 1314.5782)(343.1543, 11050.725)(344.1578, 4132.662)(345.16147, 2236.7034)(346.17, 930.69)(360.18253, 6580.5234)(361.18732, 2967.1313)(362.1881, 2051.21)(365.13733, 3229.4219)(366.1397, 3656.54)(367.1412, 1052.92) 20 342.1486 Deoxymiroestrol + 651.3093@1.0666243 1.0666243 (652.3183, 2392.0466)(653.3083, 1498.61) 12 651.3093 651.3093@1.0666243 + C30 H58 O5 S 1.0669098 [ C30 H58 O5 S, mfg=97.85, overall=97.85 ] (1061.8068, 2020.2756)(1062.8116, 1969.0049)(1063.8097, 1589.99)(1083.7891, 1661.4951)(1084.793, 1272.0701)(1085.7925, 818.53503)(531.4078, 809515.75)(532.41187, 273350.0)(533.4118, 84537.91)(534.41156, 23232.809)(535.409, 9267.413)(548.4316, 2994.53)(553.3896, 64330.797)(554.3955, 26797.178)(555.3953, 8914.609) 37 530.4004 C30 H58 O5 S + 1094.3148@1.0622003 1.0622003 (1095.3224, 3816.696)(1096.3232, 4056.9302)(1097.3219, 3931.76)(1098.3221, 2916.68)(1099.3198, 1845.1)(1100.3177, 717.41)(1117.2964, 1780.545)(1118.2964, 1491.24)(1119.2983, 1071.44) 11 1094.3148 1094.3148@1.0622003 + 463.3083@1.0678707 1.0678707 (464.3138, 5026.9263)(465.31903, 3148.6138)(466.3169, 2558.448) 6 463.3083 463.3083@1.0678707 + 719.4914@1.0708935 1.0708935 (720.4996, 2081.412)(721.5006, 1455.8937)(722.51117, 2361.7288)(723.5145, 670.31995)(724.5286, 1448.59) 9 719.4914 719.4914@1.0708935 + 647.5672@1.0598905 1.0598905 (648.5728, 2032.135)(649.5746, 1026.3143)(650.5845, 1428.93)(670.5549, 2934.7703)(671.55865, 1728.4532)(672.5739, 2370.45) 10 647.5672 647.5672@1.0598905 + 603.5417@1.0597131 1.0597131 (604.54865, 2525.1152)(605.5539, 1537.4352)(606.5534, 1513.16)(626.5324, 2268.84) 17 603.5417 603.5417@1.0597131 + 1020.2957@1.0391421 1.0391421 (1021.30365, 3560.039)(1022.30426, 3581.088)(1023.30316, 3288.9011)(1024.3027, 2290.4766)(1025.3005, 1660.56) 22 1020.2957 1020.2957@1.0391421 + 422.3146@1.064277 1.064277 (845.6486, 656.02)(423.32468, 5227.5464)(424.33035, 2606.48)(425.307, 6726.17) 3 422.3146 422.3146@1.064277 + C22 H38 O3 1.0716331 [ C22 H38 O3, mfg=59.66, overall=59.66 ] (701.568, 1264.78)(351.28812, 5129.666)(352.2917, 2093.7825)(368.314, 1508.55)(373.2704, 2622.0808) 23 350.2812 C22 H38 O3 + C27 H44 N10 O5 S2 1.067278 [ C27 H44 N10 O5 S2, mfg=91.39, overall=45.69 ] (653.30505, 3512.583)(635.2916, 738.38)(670.32654, 7784.34)(671.3323, 2780.01)(672.3269, 1146.89) 21 652.2974 C27 H44 N10 O5 S2 + 751.6676@1.0591723 1.0591723 (752.6751, 2133.146)(753.67664, 1323.428)(754.6902, 3431.9333)(755.6942, 1446.405)(756.6891, 752.505) 5 751.6676 751.6676@1.0591723 + 902.7356@1.068 1.068 (903.7415, 1200.88)(904.7509, 840.25)(920.7694, 19360.62)(921.7723, 11969.61)(922.7842, 21996.82) 1 902.7356 902.7356@1.068 + 509.4287@1.0667288 1.0667288 (510.42642, 11846.24)(511.43527, 4508.2524)(512.43036, 4518.4077)(527.455, 1416.21) 14 509.4287 509.4287@1.0667288 + C31 H40 N O 1.0692922 [ C31 H40 N O, mfg=62.62, overall=62.62 ] (443.31616, 5243.639)(425.306, 8763.479)(426.30975, 4024.8574) 16 442.3086 C31 H40 N O + 495.4132@1.0686501 1.0686501 (496.4174, 13894.911)(497.41797, 6984.0576)(498.41678, 4587.0254)(499.41833, 2049.085)(518.3993, 12913.09)(519.4026, 7284.51) 14 495.4132 495.4132@1.0686501 + C19 H48 Cl N8 O3 1.0693417 [ C19 H48 Cl N8 O3, mfg=47.60, overall=47.60 ] (960.7386, 921.26)(472.35974, 7256.235)(473.35767, 5023.62)(454.3453, 3743.3)(494.3431, 2817.4946) 25 471.3529 C19 H48 Cl N8 O3 + 635.4527@1.0791364 1.0791364 (636.4599, 2793.4133)(637.4724, 1731.8)(638.4651, 6281.25)(639.4635, 4020.22) 3 635.4527 635.4527@1.0791364 + 872.2581@1.0668323 1.0668323 (873.2659, 6618.28)(874.2667, 5285.705)(875.2652, 2272.25) 2 872.2581 872.2581@1.0668323 + 236.1411@1.0957341 1.0957341 (495.268, 3111.78)(237.14848, 11215.901)(238.15091, 2060.4038)(239.15216, 5105.21)(254.1737, 1198.9)(259.1328, 1376.89) 10 236.1411 236.1411@1.0957341 + 543.4464@1.0752761 1.0752761 (544.453, 4799.9824)(545.456, 2801.2302)(546.4346, 7093.32)(547.43506, 5028.3)(548.4453, 3777.73)(561.4773, 3623.7869)(562.4866, 1585.0801)(563.4892, 1112.735)(566.4332, 6260.4214)(567.4412, 3933.47) 9 543.4464 543.4464@1.0752761 + 1113.2908@1.0719622 1.0719622 (1114.2971, 1564.5872)(1115.2991, 1437.1357)(1116.2964, 1603.827)(1117.2961, 951.12) 7 1113.2908 1113.2908@1.0719622 + 945.777@1.0643494 1.0643494 (946.78375, 10116.899)(947.7879, 5891.2544)(948.7972, 5417.412)(949.80206, 2158.99)(950.8083, 1648.8168)(968.7683, 1322.13)(969.7743, 1152.4)(970.7851, 1239.63) 17 945.777 945.777@1.0643494 + 713.5093@1.0712562 1.0712562 (714.5133, 2467.5059)(715.5117, 1506.7899) 7 713.5093 713.5093@1.0712562 + 971.7858@1.0653279 1.0653279 (972.79315, 1694.0701)(973.79785, 1156.89)(974.80566, 1121.905) 2 971.7858 971.7858@1.0653279 + 875.2583@1.0216286 1.0216286 (876.26544, 3069.645)(877.2638, 1767.7085)(878.2636, 1175.017) 20 875.2583 875.2583@1.0216286 + Norepinephrine sulfate + 1.0737517 1.0737517 Norepinephrine sulfate [ C8 H11 N O6 S, mfg=46.13, db=70.68, overall=58.40, CAS ID=77469-51-3, HMP ID=HMDB02062, METLIN ID=58089 ] 77469-51-3 (250.03806, 12832.225)(251.0413, 11621.56)(252.0367, 5899.06)(253.0408, 466.98)(267.0657, 1591.16)(272.0193, 1498.56) 13 249.0307 Norepinephrine sulfate + 1.0737517 HMDB02062 + 385.2814@1.0749104 1.0749104 (771.5683, 717.55)(386.28772, 7169.0527)(387.29776, 3069.5)(388.2775, 9416.4)(403.317, 2970.03)(408.2727, 3332.7266) 16 385.2814 385.2814@1.0749104 + 190.1722@1.070908 1.070908 (403.3317, 3194.42)(191.17949, 16149.862)(192.18266, 2588.9727) 17 190.1722 190.1722@1.070908 + 555.4421@1.1298014 1.1298014 (556.44434, 8283.232)(557.44385, 4164.525)(558.4469, 6294.733)(559.4356, 5153.54)(560.4277, 10051.8)(578.4323, 1815.91) 5 555.4421 555.4421@1.1298014 + 1515.4095@1.0713822 1.0713822 (1516.4171, 1776.0035)(1517.4181, 2459.3862)(1518.417, 2939.9622)(1519.417, 2816.0786)(1520.4155, 2343.3662)(1521.4158, 1809.242)(1522.4156, 915.5)(1498.4054, 497.8) 22 1515.4095 1515.4095@1.0713822 + C26 H51 N13 S 1.0743614 [ C26 H51 N13 S, mfg=47.62, overall=47.62 ] (578.41675, 3060.91)(579.4229, 2063.6462)(580.41925, 5172.0537)(581.4277, 1608.34)(582.4349, 3064.75)(600.4003, 1722.96) 12 577.402 C26 H51 N13 S + C27 H41 N2 S 1.0704476 [ C27 H41 N2 S, mfg=46.06, overall=46.06 ] (868.6308, 784.65)(426.3079, 5851.5127)(427.30524, 3195.73)(428.30005, 3695.6152)(448.2915, 3648.3472)(449.2789, 1690.58) 13 425.2975 C27 H41 N2 S + 709.483@1.0714159 1.0714159 (710.4884, 1774.02)(711.47723, 1124.12)(712.49817, 2180.775)(713.4955, 1340.73) 4 709.483 709.483@1.0714159 + C27 H52 Cl N3 O2 1.0696151 [ C27 H52 Cl N3 O2, mfg=75.29, overall=75.29 ] (486.37842, 52703.965)(487.3795, 17362.828)(488.3916, 25614.855)(489.39548, 8978.921)(490.4025, 1680.18)(508.36093, 3953.6802)(509.36792, 4774.8774) 32 485.3711 C27 H52 Cl N3 O2 + 462.3704@1.0692612 1.0692612 (463.3773, 5540.8125)(445.3688, 4283.85)(446.363, 2053.39)(480.41, 1344.75) 12 462.3704 462.3704@1.0692612 + DG(15:0/16:1(9Z)/0:0) 1.0733875 DG(15:0/16:1(9Z)/0:0) [ C34 H64 O5, mfg=54.32, db=50.54, overall=52.43, HMP ID=HMDB07070, METLIN ID=58705 ] (553.4815, 4508.951)(554.48364, 2810.441)(555.4858, 1453.9434)(535.4684, 2139.394)(570.5054, 2639.9434)(575.4655, 8227.224)(576.46375, 4387.315)(577.4493, 518.72) 19 552.4752 DG(15:0/16:1(9Z)/0:0) HMDB07070 + 539.3454@1.0546668 1.0546668 (540.35205, 5528.6455)(541.3546, 2382.7515) 7 539.3454 539.3454@1.0546668 + 456.3616@1.0708945 1.0708945 (930.7646, 622.35)(457.3718, 2301.4849) 2 456.3616 456.3616@1.0708945 + C22 H40 O3 1.0708545 [ C22 H40 O3, mfg=75.44, overall=75.44 ] (722.6272, 1519.11)(723.6163, 903.65)(727.58374, 668.155)(353.3049, 11415.049)(354.30557, 3607.566)(355.3141, 1341.31)(335.29395, 4968.1743)(336.29877, 2891.65) 34 352.2975 C22 H40 O3 + 625.4789@1.0741868 1.0741868 (626.4838, 3913.6)(627.48694, 2421.947)(628.4825, 3986.8333)(629.5095, 1568.85)(608.4857, 2613.1)(609.5017, 1807.48)(610.5006, 4706.99)(643.5108, 2761.76) 8 625.4789 625.4789@1.0741868 + 729.6011@1.0772991 1.0772991 (730.61304, 1833.4766)(731.61707, 1034.9363)(732.62006, 1389.2521)(733.6213, 1262.37) 9 729.6011 729.6011@1.0772991 + C22 H51 N4 O5 S 1.0739194 [ C22 H51 N4 O5 S, mfg=47.61, overall=47.61 ] (484.36316, 34664.69)(485.36758, 12264.517)(486.36035, 15194.285)(487.3647, 6142.4346)(488.3751, 13668.04)(489.3967, 5140.31)(501.3919, 2239.53)(506.3408, 2249.05) 27 483.3559 C22 H51 N4 O5 S + 326.0708@1.0717598 1.0717598 (327.07806, 4424.8057)(328.08185, 1356.2288)(344.1046, 1450.04) 11 326.0708 326.0708@1.0717598 + 506.4349@1.0742558 1.0742558 (507.4392, 1959.2067)(529.4249, 3578.9) 3 506.4349 506.4349@1.0742558 + C22 H47 N4 S2 1.0754132 [ C22 H47 N4 S2, mfg=47.50, overall=47.50 ] (432.3306, 8653.586)(433.33148, 4886.1724)(434.33655, 2885.02)(449.35864, 3879.5247)(450.3701, 3548.01)(454.31366, 2457.52) 25 431.326 C22 H47 N4 S2 + C18 H31 N8 1.0719703 [ C18 H31 N8, mfg=47.61, overall=47.61 ] (719.54364, 1425.5634)(736.56213, 783.50757)(741.52795, 810.145)(360.27325, 17385.37)(361.28207, 5562.8413)(362.26135, 9391.055)(342.2618, 2051.93)(377.3029, 3108.0396)(382.25635, 1695.9102) 33 359.2666 C18 H31 N8 + 458.3756@1.0760603 1.0760603 (934.7796, 1382.4701)(935.78186, 968.51)(936.7983, 733.48)(459.3836, 3937.2344)(481.368, 3339.72) 17 458.3756 458.3756@1.0760603 + 126.1043@1.0745335 1.0745335 (253.2155, 7287.3965)(254.21843, 1554.1)(270.2419, 924.34)(275.2003, 10509.02)(127.11161, 4829.151)(128.11334, 1242.5701)(149.09525, 4822.6953)(150.097, 1501.28) 9 126.1043 126.1043@1.0745335 + 765.6833@1.0705124 1.0705124 (766.6901, 2876.7024)(767.69354, 1742.6255)(768.70337, 3990.8477)(783.7219, 910.45) 18 765.6833 765.6833@1.0705124 + 627.4999@1.0716351 1.0716351 (628.5068, 4527.4756)(629.5118, 2303.2307)(630.51965, 6369.863)(631.52826, 3521.1067)(632.5159, 2119.55)(645.5293, 5408.1)(646.5297, 3128.46)(647.5286, 1412.2)(650.49066, 2716.0225)(651.5106, 2087.47) 16 627.4999 627.4999@1.0716351 + Homaline 1.0733131 C10599 Homaline [ C30 H42 N4 O2, db=53.66, overall=26.83, CAS ID=20410-93-9, KEGG ID=C10599, METLIN ID=68419 ] 20410-93-9 (491.3342, 16628.596)(492.3416, 10578.79)(493.34753, 8062.07)(508.35815, 4001.645)(513.317, 2119.84) 15 490.3276 Homaline + 208.1459@1.0742645 1.0742645 (417.29803, 7334.5874)(209.1532, 3474.946)(210.1531, 941.53)(191.1423, 2532.0)(192.1415, 2024.99)(231.1353, 1670.22) 5 208.1459 208.1459@1.0742645 + 511.3502@1.0874535 1.0874535 (512.3544, 4737.8257)(513.3555, 2624.4258)(514.3356, 3389.225)(494.3509, 2056.62)(529.3824, 3428.25) 7 511.3502 511.3502@1.0874535 + 499.3841@1.0676539 1.0676539 (500.39203, 5972.7544)(501.3933, 3730.1233)(502.374, 17939.48)(503.3744, 9420.53)(504.3883, 7393.61)(522.3717, 4674.7803)(523.37463, 4484.605) 9 499.3841 499.3841@1.0676539 + 487.3856@1.0711657 1.0711657 (488.39212, 19703.992)(489.39603, 6729.124)(490.39203, 5421.0176)(505.4206, 3086.28)(510.37686, 4054.845)(511.38556, 2450.494)(512.37213, 3277.2334) 13 487.3856 487.3856@1.0711657 + C30 H57 N O7 1.079298 [ C30 H57 N O7, mfg=47.60, overall=47.60 ] (544.41876, 10145.436)(545.41907, 6120.56)(546.4252, 9296.357)(547.4376, 6342.475)(548.4403, 3273.37)(566.40283, 4239.285) 20 543.4131 C30 H57 N O7 + C32 H57 Cl N2 O 1.0740092 [ C32 H57 Cl N2 O, mfg=53.48, overall=53.48 ] (521.4193, 7778.441)(522.41943, 4462.8184)(523.42645, 3950.6592)(503.40845, 5691.41)(504.4201, 3053.52)(505.4219, 2202.2)(538.44305, 3033.8035)(543.4041, 2989.23) 18 520.4115 C32 H57 Cl N2 O + 595.4076@1.07339 1.07339 (596.4129, 4723.2744)(597.4177, 2553.0232)(598.4299, 6943.71)(578.40454, 3444.51)(579.411, 2210.54)(580.4207, 4694.41) 13 595.4076 595.4076@1.07339 + 306.2553@1.0768058 1.0768058 (613.5186, 3154.9265)(307.26218, 5215.76)(308.26794, 1963.863)(324.28812, 1543.5586)(329.2462, 2943.99) 18 306.2553 306.2553@1.0768058 + 769.4948@1.128161 1.128161 (770.5043, 2708.2803)(771.5063, 1561.4084)(772.5096, 1362.6492)(752.4976, 2536.185)(753.4971, 1740.355)(754.5099, 3440.835)(755.5062, 1603.585)(756.52454, 2069.165)(792.4924, 702.56) 21 769.4948 769.4948@1.128161 + 516.3811@1.0857365 1.0857365 (517.38696, 6200.274)(539.37134, 3139.32) 5 516.3811 516.3811@1.0857365 + 926.7273@1.0728252 1.0728252 (927.7343, 1194.625)(928.7438, 1017.83496)(929.7461, 804.79)(949.7213, 777.67) 2 926.7273 926.7273@1.0728252 + 208.1827@1.07706 1.07706 (209.1899, 3482.3896)(210.1911, 1009.4001)(191.1794, 13587.97)(192.18282, 2520.71)(231.1707, 1274.11) 16 208.1827 208.1827@1.07706 + 527.3809@1.0739226 1.0739226 (528.38715, 7021.491)(529.3903, 3960.0808)(530.39856, 7026.9624)(510.37732, 7635.83)(511.3828, 5337.95)(545.4198, 4862.93) 16 527.3809 527.3809@1.0739226 + C26 H28 N4 O6 S 1.0736966 [ C26 H28 N4 O6 S, mfg=93.98, overall=93.98 ] (525.1799, 6850.3276)(526.1838, 2126.7766)(527.18445, 865.4367)(542.2063, 21725.363)(543.20984, 6476.203)(544.21405, 1515.7563)(547.1604, 4779.7666)(548.1636, 2987.6682)(549.1655, 2306.77) 32 524.1726 C26 H28 N4 O6 S + 777.5023@1.0220463 1.0220463 (778.50964, 1654.724)(779.51245, 1145.7725)(780.5227, 1446.8032)(800.48413, 782.32) 10 777.5023 777.5023@1.0220463 + 3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid 1.0725418 3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid [ C24 H38 O5, mfg=47.61, db=47.27, overall=47.44, METLIN ID=42916 ] (813.5441, 715.9)(407.27905, 4802.3027)(408.27832, 2653.8853)(409.28705, 2282.9373)(389.269, 11789.69)(424.306, 2214.9033)(429.2611, 2770.4546) 25 406.2721 3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid + 661.4825@1.0778202 1.0778202 (662.48456, 2542.644)(663.4996, 1964.65)(684.4711, 1787.97) 5 661.4825 661.4825@1.0778202 + 1519.4092@1.0694878 1.0694878 (1520.4163, 1634.5201)(1521.4154, 1115.5024)(1522.4144, 881.82) 5 1519.4092 1519.4092@1.0694878 + TG(16:0/17:2(9Z,12Z)/18:2(9Z,12Z))[iso6] 1.0744252 TG(16:0/17:2(9Z,12Z)/18:2(9Z,12Z))[iso6] [ C54 H96 O6, db=63.89, overall=63.89, CAS ID=, Lipid ID=LMGL03010088, METLIN ID=4787 ] (858.7526, 1653.7711)(859.7558, 1165.7955)(860.7673, 1438.9532) 10 857.7473 TG(16:0/17:2(9Z,12Z)/18:2(9Z,12Z))[iso6] + LMGL03010088 646.4476@1.0983417 1.0983417 (647.46045, 1751.125)(648.4678, 1289.95)(649.4494, 1020.41) 4 646.4476 646.4476@1.0983417 + 1134.3033@1.0677418 1.0677418 (1135.309, 3905.582)(1136.3087, 2037.5488)(1137.3068, 1577.6432)(1138.3066, 348.45)(1152.3204, 3193.85)(1153.315, 1236.8) 13 1134.3033 1134.3033@1.0677418 + 1130.3066@1.0711542 1.0711542 (1131.314, 49678.73)(1132.3126, 29215.26)(1133.3121, 14908.083)(1134.3109, 7365.143)(1135.3099, 4689.51)(1136.3077, 3268.62) 24 1130.3066 1130.3066@1.0711542 + 599.4617@1.0790639 1.0790639 (600.4621, 4450.348)(601.4658, 2717.3372)(602.46106, 5949.0317)(603.46643, 3353.7637)(604.4694, 3971.344)(617.4752, 4393.02)(618.4675, 3318.45)(619.4856, 3230.27)(622.45447, 2070.0352) 23 599.4617 599.4617@1.0790639 + 735.4917@1.075453 1.075453 (736.5047, 2425.3347)(737.4979, 1687.6875)(738.51337, 2887.4026) 4 735.4917 735.4917@1.075453 + 701.5431@1.0751616 1.0751616 (702.53876, 5200.228)(703.54297, 2841.6802)(704.5208, 1782.01)(684.5414, 8480.88)(685.5422, 3052.76)(719.5558, 1022.97)(724.5283, 3437.4)(725.5263, 2089.085)(726.53796, 2720.645) 5 701.5431 701.5431@1.0751616 + 558.3946@1.1021146 1.1021146 (559.4012, 4986.13)(541.386, 1742.25)(581.3878, 4787.55) 6 558.3946 558.3946@1.1021146 + 497.3713@1.095833 1.095833 (1012.7784, 595.5)(498.37717, 5746.352)(499.37958, 2917.9836)(500.37506, 7929.068)(501.365, 6495.628)(502.3737, 15189.409)(480.368, 2408.49)(520.3545, 1730.49) 26 497.3713 497.3713@1.095833 + 492.3436@1.0735909 1.0735909 (493.34943, 8266.886)(494.34518, 4676.207)(495.35217, 3682.1165)(475.3399, 5137.5)(510.37698, 6359.224)(511.38412, 3434.066)(515.3368, 2908.69) 7 492.3436 492.3436@1.0735909 + Didrovaltratum 1.0864221 C09776 Didrovaltratum [ C22 H32 O8, mfg=47.46, db=47.45, overall=47.45, KEGG ID=C09776, METLIN ID=41153 ] (465.21912, 3010.5173)(466.22363, 1488.246)(467.2212, 788.12)(447.1992, 8816.05) 15 464.2136 Didrovaltratum + Bisindolylmaleimide I 1.0735351 C11238 Bisindolylmaleimide I [ C25 H24 N4 O2, mfg=70.45, db=70.21, overall=70.33, CAS ID=133052-90-1, KEGG ID=C11238, METLIN ID=45523 ] 133052-90-1 (413.19653, 6874.6797)(414.20004, 2652.5984)(430.22507, 3768.1099)(431.23502, 2128.0134) 24 412.1896 Bisindolylmaleimide I + 272.2142@1.080932 1.080932 (562.4655, 2180.4)(273.22098, 2636.7603)(274.2243, 926.7814) 10 272.2142 272.2142@1.080932 + 645.4779@1.0756751 1.0756751 (646.4796, 2458.7126)(647.47845, 1504.4701)(648.4776, 1769.3033)(628.4769, 3188.01)(629.4702, 2534.33) 4 645.4779 645.4779@1.0756751 + 581.4252@1.0756241 1.0756241 (582.4313, 5737.2295)(583.4328, 2676.3228)(584.4192, 5907.0405)(585.416, 2667.67)(586.42566, 1909.23)(599.4589, 4680.68)(604.4091, 2635.92) 10 581.4252 581.4252@1.0756241 + 690.4765@1.0909339 1.0909339 (691.49493, 8374.736)(692.4908, 7440.42)(693.4918, 3303.06)(708.52466, 2701.91)(709.5235, 1754.9451) 3 690.4765 690.4765@1.0909339 + 478.4028@1.0757929 1.0757929 (479.4086, 2299.5977)(480.4092, 1817.31)(501.3936, 2631.08) 4 478.4028 478.4028@1.0757929 + 481.3418@1.0745233 1.0745233 (482.34912, 6605.135)(483.3624, 3933.15) 2 481.3418 481.3418@1.0745233 + C24 H39 N S 1.0756675 [ C24 H39 N S, mfg=82.12, overall=82.12 ] (764.59875, 1672.3151)(765.6119, 979.99)(766.6152, 1445.33)(769.5524, 758.6)(374.28976, 28035.945)(375.29218, 9011.836)(376.29227, 2865.9412)(356.2806, 1634.86)(396.27286, 2393.16) 36 373.2823 C24 H39 N S + 539.3828@1.0744824 1.0744824 (540.39, 17890.043)(541.39197, 7386.1924)(542.40186, 14860.19)(543.4063, 7634.37)(544.4172, 12062.01)(557.4165, 5429.79) 4 539.3828 539.3828@1.0744824 + 453.3301@1.1182487 1.1182487 (454.34055, 23167.271)(455.33493, 13495.013)(456.33777, 6549.295)(457.34406, 2482.7349)(458.3466, 11191.72)(476.322, 13399.15)(477.3243, 3985.55) 6 453.3301 453.3301@1.1182487 + 638.5531@1.0750242 1.0750242 (639.55597, 1679.0615)(640.5663, 1175.99) 6 638.5531 638.5531@1.0750242 + Pro Trp Cys 1.0761787 Pro Trp Cys [ C19 H24 N4 O4 S, mfg=43.58, db=47.59, overall=45.59, METLIN ID=19315 ] (405.16055, 2861.721)(406.16708, 1172.0288)(407.16138, 1377.7108)(422.18695, 2948.392)(423.197, 1324.835)(424.18512, 1695.1599)(427.13974, 1070.2) 22 404.1528 Pro Trp Cys + 448.2782@1.0783165 1.0783165 (449.28818, 3641.41)(450.2872, 2712.8)(471.2715, 1679.22) 4 448.2782 448.2782@1.0783165 + 883.7614@1.075517 1.075517 (884.769, 1604.0732)(885.7698, 1085.6167)(886.7771, 1561.8434)(887.7853, 635.58) 3 883.7614 883.7614@1.075517 + 811.5063@1.075 1.075 (812.5136, 2089.8)(813.5231, 1205.9) 1 811.5063 811.5063@1.075 + 544.3802@1.0776488 1.0776488 (545.38324, 6628.5234) 3 544.3802 544.3802@1.0776488 + 659.5256@1.1085991 1.1085991 (660.5276, 5073.915)(661.5346, 2283.5032)(662.5399, 1295.115) 4 659.5256 659.5256@1.1085991 + 843.4997@1.076 1.076 (844.507, 994.15)(845.5202, 943.97)(846.5224, 888.77) 1 843.4997 843.4997@1.076 + 416.3288@1.1165677 1.1165677 (417.33456, 18965.174)(418.33493, 5835.3164)(419.31622, 17454.764)(399.32608, 11743.867)(400.329, 5404.7603)(434.3656, 1655.8) 31 416.3288 416.3288@1.1165677 + 152.1198@1.0796659 1.0796659 (305.247, 6379.9204)(306.24927, 2191.7666)(322.27444, 3067.8298)(327.23138, 5533.0146)(153.12692, 2395.4487)(154.1262, 846.88)(135.11641, 7957.5513)(136.1191, 1248.4451)(175.1104, 1534.92) 15 152.1198 152.1198@1.0796659 + 601.4862@1.1108191 1.1108191 (602.495, 3394.1028)(603.49695, 1883.7684)(604.48724, 2565.434)(584.4731, 2390.7)(619.5247, 1580.52)(624.48004, 5432.713)(625.4866, 2742.5952)(626.4902, 5157.57) 16 601.4862 601.4862@1.1108191 + 817.715@1.0683311 1.0683311 (818.7226, 2104.8987)(819.72546, 1347.8661)(820.73773, 4463.0024)(821.7414, 2481.335)(822.74945, 1468.32)(823.7562, 454.88)(835.7569, 866.29) 17 817.715 817.715@1.0683311 + C29 H47 N8 O3 1.0794301 [ C29 H47 N8 O3, mfg=55.66, overall=55.66 ] (556.38873, 11525.551)(557.3914, 4801.0366)(558.3995, 14485.016)(559.4006, 6607.8564)(560.4134, 9180.52)(538.37585, 9424.415)(539.3733, 4775.525)(573.4158, 3399.9797)(578.3685, 3720.81)(579.3727, 3183.95) 18 555.3784 C29 H47 N8 O3 + 779.6995@1.075846 1.075846 (780.7065, 2987.655)(781.70807, 1755.8943)(782.71857, 1954.443)(783.7222, 619.68506) 19 779.6995 779.6995@1.075846 + 166.1366@1.0787908 1.0787908 (333.2813, 3149.1)(334.292, 1753.85)(167.1435, 1693.1901)(149.1323, 3756.1)(189.126, 1860.85) 3 166.1366 166.1366@1.0787908 + C26 H47 N2 O3 1.079299 [ C26 H47 N2 O3, mfg=47.60, overall=47.60 ] (436.35983, 5017.0977)(437.36493, 3349.915)(438.3669, 3950.25)(453.3924, 2382.67)(458.34644, 8710.197)(459.34445, 4973.285) 19 435.356 C26 H47 N2 O3 + 761.4917@1.0784193 1.0784193 (762.5055, 1658.6293)(763.5072, 1096.126)(764.52075, 1566.324)(744.4869, 2251.16)(745.4828, 1422.24)(784.48517, 1124.5284)(785.4846, 763.94495)(786.50073, 1660.085) 11 761.4917 761.4917@1.0784193 + 335.1597@1.0755482 1.0755482 (336.1676, 2851.96)(337.1652, 1460.3401)(353.192, 1169.1) 8 335.1597 335.1597@1.0755482 + 585.4535@1.0575724 1.0575724 (586.4584, 3460.225)(587.46484, 1725.7484)(588.4427, 5590.215)(589.45, 3403.6)(568.4499, 13279.86)(569.457, 5406.83)(570.4607, 5647.35) 8 585.4535 585.4535@1.0575724 + 631.4471@1.0923928 1.0923928 (632.45245, 4592.07)(633.46375, 3065.6833)(634.45544, 2009.7)(649.4726, 2169.2) 3 631.4471 631.4471@1.0923928 + 748.5288@1.079404 1.079404 (749.5293, 1714.825)(750.5238, 1310.825)(751.5444, 1234.82) 2 748.5288 748.5288@1.079404 + 389.2769@1.0787804 1.0787804 (779.5502, 868.52)(796.5882, 1028.38)(390.28287, 14761.106)(407.3119, 2907.7825) 10 389.2769 389.2769@1.0787804 + 855.6388@1.0773718 1.0773718 (856.646, 1223.364)(857.64343, 843.02997)(858.64703, 973.63007) 5 855.6388 855.6388@1.0773718 + 518.3636@1.0768087 1.0768087 (519.3681, 10746.147)(520.3818, 8862.61)(521.3816, 7129.02) 3 518.3636 518.3636@1.0768087 + 712.4943@1.0765457 1.0765457 (713.50494, 1301.855)(730.52734, 2068.375)(731.5265, 1356.36)(732.5323, 1866.28) 2 712.4943 712.4943@1.0765457 + 513.3286@1.0728052 1.0728052 (514.33624, 4310.6904)(515.3351, 2229.4602)(496.3203, 2054.29) 9 513.3286 513.3286@1.0728052 + 467.3223@1.104162 1.104162 (468.32654, 3186.345) 2 467.3223 467.3223@1.104162 + (±)11-HEDE 1.0772122 (±)11-HEDE [ C20 H36 O3, mfg=63.71, db=31.76, overall=47.74, CAS ID=5598-37-8, METLIN ID=34607 ] 5598-37-8 (325.27295, 5845.8657)(326.2723, 2825.0708)(327.2621, 570.02)(307.26184, 3905.858)(308.26813, 1251.785) 28 324.2658 (±)11-HEDE + 387.3358@1.0740346 1.0740346 (792.70624, 1571.2429)(793.7088, 1091.4233)(794.7224, 2787.11)(795.72546, 1590.5641)(796.7346, 1174.22)(797.6531, 1393.37)(388.3422, 5499.1167)(389.34766, 2719.1682)(390.3439, 1544.41) 12 387.3358 387.3358@1.0740346 + C36 H65 Cl N2 O 1.0871236 [ C36 H65 Cl N2 O, mfg=84.66, overall=42.33 ] (577.48206, 11719.987)(578.4847, 5462.5117)(579.4942, 4488.8877)(580.4998, 1983.73)(559.4703, 9579.365)(560.46875, 4861.375)(561.4669, 5320.93)(599.4639, 3490.2786)(600.4728, 4969.14)(601.4751, 3724.56) 32 576.4744 C36 H65 Cl N2 O + 266.2256@1.1315008 1.1315008 (533.4563, 1226.35)(267.23022, 2067.4985)(268.22952, 1042.4567)(284.2585, 2303.5)(285.2523, 1804.6)(289.2151, 3657.065)(290.2162, 1077.73) 6 266.2256 266.2256@1.1315008 + C14 H31 N7 O2 1.1118321 [ C14 H31 N7 O2, mfg=47.62, overall=47.62 ] (681.4971, 3708.64)(330.26294, 54560.37)(331.27362, 24482.361)(312.25272, 15543.947)(313.2608, 7926.33)(352.24756, 4419.83) 18 329.2562 C14 H31 N7 O2 + Androsterone 1.0791572 C00523 Androsterone [ C19 H30 O2, mfg=69.99, db=69.89, overall=69.94, CAS ID=53-41-8, Lipid ID=LMST02020001, KEGG ID=C00523, HMP ID=HMDB00031, METLIN ID=2797 ] 53-41-8 (581.4566, 2230.21)(603.4395, 2537.105)(291.2318, 6042.2964)(292.2332, 1743.6793)(273.22092, 2787.9485)(274.2228, 824.60333)(308.26138, 2218.1902) 24 290.2247 Androsterone HMDB00031 + LMST02020001 461.4228@1.0824602 1.0824602 (462.4287, 3880.1614)(463.43073, 1811.1459)(464.4309, 2584.98)(479.4504, 785.25) 7 461.4228 461.4228@1.0824602 + 603.3975@1.0941832 1.0941832 (604.3964, 6984.0547)(605.40045, 2954.42)(606.40826, 3126.2703) 4 603.3975 603.3975@1.0941832 + 1168.3325@1.0746654 1.0746654 (1169.3397, 2069.075)(1170.3406, 2249.115)(1171.3396, 2241.9)(1172.3394, 1113.85)(1173.3397, 624.62) 2 1168.3325 1168.3325@1.0746654 + 455.1669@1.078 1.078 (456.1742, 1708.72) 1 455.1669 455.1669@1.078 + C28 H56 N9 O2 1.0774237 [ C28 H56 N9 O2, mfg=59.19, overall=59.19 ] (551.46625, 4593.63)(552.4699, 2820.1924)(553.4809, 3589.86)(533.4505, 5223.23)(534.4569, 2491.26)(573.44714, 3980.6682) 33 550.4583 C28 H56 N9 O2 + 749.465@1.078 1.078 (750.4723, 1353.63)(751.4723, 1340.91) 1 749.465 749.465@1.078 + 308.2328@1.0689459 1.0689459 (617.47284, 5565.34)(618.4688, 3456.9465)(619.48346, 2717.1533)(634.5002, 3040.1277)(635.4824, 2664.48)(639.4508, 1363.15)(309.2403, 6023.529)(310.2415, 2345.077)(331.2238, 1840.09) 13 308.2328 308.2328@1.0689459 + 898.7805@1.081176 1.081176 (899.7878, 10398.275)(900.796, 5373.544)(901.8012, 2291.4648)(902.8073, 504.98) 20 898.7805 898.7805@1.081176 + 669.3199@1.0753328 1.0753328 (670.32733, 8185.4727)(671.3281, 3307.8293)(672.3246, 2189.265)(652.3198, 2170.37) 27 669.3199 669.3199@1.0753328 + 368.2921@1.073756 1.073756 (369.29758, 2649.3486)(351.28845, 5360.697)(352.28973, 2081.11) 8 368.2921 368.2921@1.073756 + C30 H50 Cl N2 1.0774114 [ C30 H50 Cl N2, mfg=68.93, overall=68.93 ] (474.37543, 8513.13)(475.3783, 4239.3076)(476.36993, 4897.63)(456.36777, 3394.2925)(457.3842, 1659.72)(458.3822, 5395.83)(491.4012, 1796.68)(496.3609, 2796.266)(497.3601, 2157.735) 18 473.3679 C30 H50 Cl N2 + C35 H56 N4 O 1.0836056 [ C35 H56 N4 O, mfg=53.09, overall=53.09 ] (549.4492, 3858.4219)(550.4553, 2593.7356)(551.4523, 4247.04)(566.4743, 2145.32)(567.4922, 1237.84)(571.4321, 2359.42) 13 548.4416 C35 H56 N4 O + 442.373@1.0751795 1.0751795 (443.38397, 3540.8828)(444.402, 2425.86)(465.3574, 3592.73) 7 442.373 442.373@1.0751795 + 4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol 1.0767372 4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol [ C29 H46 O2, mfg=46.86, db=66.04, overall=56.45, HMP ID=HMDB12167, METLIN ID=62828 ] (445.3672, 13183.207)(446.36096, 9726.32)(447.3788, 6442.66)(427.3565, 18930.98)(428.3577, 7467.93) 34 444.3596 4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol HMDB12167 + ?-Linolenic Acid 1.087934 C06427 ?-Linolenic Acid [ C18 H30 O2, mfg=84.41, db=84.36, overall=84.39, CAS ID=463-40-1, Lipid ID=LMFA01030152, KEGG ID=C06427, METLIN ID=192 ] 463-40-1 (557.4542, 3447.7234)(558.4718, 2547.12)(279.23148, 72525.89)(280.23517, 15973.244)(261.21805, 925.83)(296.2569, 13379.76)(301.2155, 6558.6353)(302.2205, 2215.6963) 35 278.2243 ?-Linolenic Acid + LMFA01030152 795.5135@1.078 1.078 (796.5231, 1424.08)(797.5327, 1211.07)(818.4996, 985.64) 1 795.5135 795.5135@1.078 + 188.1517@1.114877 1.114877 (189.16135, 1904.62) 2 188.1517 188.1517@1.114877 + 440.205@1.1363019 1.1363019 (441.21545, 5454.385)(442.2118, 2618.1602)(458.23868, 8687.586)(459.2434, 4917.43)(463.19348, 11185.81)(464.20255, 4159.65) 8 440.205 440.205@1.1363019 + 845.7469@1.0814769 1.0814769 (846.75366, 8246.174)(847.7569, 4802.769)(848.76654, 3686.8828)(849.77313, 553.275) 25 845.7469 845.7469@1.0814769 + 234.1621@1.1868278 1.1868278 (235.1686, 14296.693)(236.1677, 1587.06)(217.1578, 3043.17)(218.1587, 800.29) 11 234.1621 234.1621@1.1868278 + 876.7159@1.0761182 1.0761182 (877.72473, 1314.136)(878.7267, 749.658)(879.7388, 790.33496) 5 876.7159 876.7159@1.0761182 + Spergualin 1.080361 C16747 Spergualin [ C17 H37 N7 O4, mfg=64.94, db=64.90, overall=64.92, CAS ID=80902-43-8, KEGG ID=C16747, METLIN ID=71307 ] 80902-43-8 (404.30017, 26960.312)(405.30432, 8605.063)(406.30203, 2917.032)(421.32947, 4380.063) 26 403.293 Spergualin + C22 H40 O 1.1231271 [ C22 H40 O, mfg=65.36, overall=65.36 ] (321.3145, 2583.7014)(338.34155, 6501.6797)(339.34335, 2380.9932) 13 320.3075 C22 H40 O + 488.3548@1.1089407 1.1089407 (489.36038, 6648.454)(490.37155, 4250.56)(491.3729, 7588.12) 8 488.3548 488.3548@1.1089407 + 675.4984@1.0854096 1.0854096 (676.50653, 4620.9688)(677.50793, 2280.6987)(678.4825, 2036.58) 8 675.4984 675.4984@1.0854096 + 922.7797@1.0765321 1.0765321 (923.78705, 5849.2085)(924.7953, 4152.5317)(925.80096, 2492.213)(926.8055, 1088.05)(945.7744, 871.21) 13 922.7797 922.7797@1.0765321 + Xanthoaphin 1.0854591 C01863 Xanthoaphin [ C30 H26 O10, mfg=92.24, db=92.20, overall=92.22, CAS ID=1674-44-8, KEGG ID=C01863, METLIN ID=65664 ] 1674-44-8 (547.1595, 8783.498)(548.1637, 3161.2427)(549.16595, 1193.662) 27 546.1525 Xanthoaphin + 785.4944@1.0823408 1.0823408 (786.5001, 1874.375)(787.50714, 1198.3099)(788.5084, 852.105)(768.4888, 1402.43)(769.4815, 779.84)(808.483, 1062.92)(809.486, 770.7)(810.4913, 1312.69) 4 785.4944 785.4944@1.0823408 + C27 H43 N2 O3 1.0761421 [ C27 H43 N2 O3, mfg=47.60, overall=47.60 ] (904.6895, 697.89)(905.7064, 381.09)(444.33173, 11815.406)(445.33188, 5839.18)(461.3611, 4456.6)(466.31378, 2078.22) 28 443.3238 C27 H43 N2 O3 + 258.1975@1.0788773 1.0788773 (539.3809, 3162.32)(259.20496, 4608.7256)(260.21054, 1350.0054) 18 258.1975 258.1975@1.0788773 + C18 H43 N10 O2 1.0863618 [ C18 H43 N10 O2, mfg=47.47, overall=47.47 ] (880.7547, 1062.64)(432.36475, 5413.0894)(433.36584, 3041.9104)(434.35995, 2073.9434)(414.354, 1998.0)(454.3458, 3549.8286) 15 431.3571 C18 H43 N10 O2 + 4-oxo-2-Nonenal 1.1155127 4-oxo-2-Nonenal [ C9 H14 O2, mfg=72.82, db=72.65, overall=72.74, CAS ID=103560-62-9, METLIN ID=45397 ] 103560-62-9 (309.20642, 16187.688)(310.20868, 4527.6084)(326.23105, 2914.4988)(331.19016, 2958.604)(155.1066, 8486.844)(156.10889, 1680.3174)(157.09766, 1210.35)(177.09108, 2412.7676)(178.0891, 1037.21) 23 154.0994 4-oxo-2-Nonenal + 437.3556@1.0800562 1.0800562 (438.3631, 3892.19)(439.3735, 3297.44)(440.3714, 3524.62) 2 437.3556 437.3556@1.0800562 + DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0) 1.0844543 DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0) [ C36 H62 O5, mfg=40.77, db=47.40, overall=44.08, HMP ID=HMDB07077, METLIN ID=58712 ] (575.4664, 10659.392)(576.4694, 6910.848)(577.4812, 8570.27)(578.4843, 2904.38)(579.4982, 1251.27)(597.44684, 2605.765) 22 574.4587 DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0) HMDB07077 + 17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one 1.0802852 C14919 17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one [ C22 H36 O3, mfg=53.97, db=53.84, overall=53.90, KEGG ID=C14919, METLIN ID=70421 ] (349.2734, 8727.129)(350.28143, 3383.327)(331.26535, 4417.615)(366.2995, 1610.986)(371.2554, 3140.0425) 21 348.266 17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one + C32 H55 N O2 S 1.0799844 [ C32 H55 N O2 S, mfg=69.99, overall=69.99 ] (518.40436, 16019.706)(519.40533, 8416.44)(520.4076, 4633.332)(500.3902, 21534.0)(501.3913, 10118.34)(502.3741, 45681.99)(503.3774, 19998.15)(504.3837, 22023.76)(540.3873, 7949.5195)(541.388, 4195.529)(542.36816, 6606.2) 29 517.3977 C32 H55 N O2 S + C25 H24 N3 O2 1.0821936 [ C25 H24 N3 O2, mfg=74.09, overall=74.09 ] (399.19443, 9892.837)(400.19608, 3453.5857)(421.17828, 1544.1001) 24 398.187 C25 H24 N3 O2 + 180.1146@1.1196269 1.1196269 (361.2431, 2680.89)(378.26257, 17112.566)(379.2779, 8327.33)(383.2186, 4983.988)(181.12189, 4881.617)(182.12312, 1166.85)(183.1123, 1761.34)(163.1109, 3625.75)(198.151, 2612.55)(203.1032, 2382.55) 8 180.1146 180.1146@1.1196269 + 372.2657@1.08 1.08 (373.2729, 7099.78) 1 372.2657 372.2657@1.08 + 871.7622@1.079132 1.079132 (872.76917, 26188.916)(873.7728, 16506.273)(874.78143, 12727.122)(875.7808, 4543.01)(894.7539, 15793.809)(895.75757, 9990.208)(896.7693, 25991.451)(897.77264, 16413.12)(898.78406, 21711.709) 29 871.7622 871.7622@1.079132 + 522.4186@1.0803949 1.0803949 (523.43256, 3854.5078)(524.4362, 2228.116)(545.408, 4452.45) 8 522.4186 522.4186@1.0803949 + 284.1787@1.0806098 1.0806098 (586.3936, 5677.16)(587.3845, 3989.33)(588.382, 10147.16)(589.3854, 3584.06)(285.18445, 4327.35)(286.19, 1270.18) 2 284.1787 284.1787@1.0806098 + 715.5259@1.0864782 1.0864782 (716.5322, 4484.7246)(717.53516, 2494.2024)(718.5293, 2185.6028)(738.5135, 2019.7867)(739.5162, 1243.2567)(740.5272, 1469.61) 18 715.5259 715.5259@1.0864782 + 565.3608@1.0761251 1.0761251 (566.36804, 4409.737)(567.3758, 2364.52) 3 565.3608 565.3608@1.0761251 + 224.1773@1.1067406 1.1067406 (449.36075, 4650.8745)(450.3731, 3103.3)(466.3871, 3406.99)(225.1845, 3448.3098)(226.1805, 1660.95)(207.17395, 2534.025)(242.21083, 3102.8535)(243.2136, 1178.78)(247.16809, 2343.496)(248.16792, 966.82007) 12 224.1773 224.1773@1.1067406 + 260.2137@1.0908653 1.0908653 (261.22156, 3550.5378)(262.22293, 968.0625) 5 260.2137 260.2137@1.0908653 + Thr Trp Asn 1.0880101 Thr Trp Asn [ C19 H25 N5 O6, db=55.61, overall=55.61, METLIN ID=20050 ] (420.1894, 3705.5767)(421.1879, 1011.7856)(422.189, 2900.4673)(423.1988, 2674.07) 14 419.1803 Thr Trp Asn + C38 H80 Cl N2 S 1.0818999 [ C38 H80 Cl N2 S, mfg=73.57, overall=73.57 ] (632.57916, 4326.027)(633.5824, 2228.7979)(634.5788, 1630.234)(614.5692, 1318.87) 26 631.5741 C38 H80 Cl N2 S + 805.7151@1.0787134 1.0787134 (806.7225, 2992.225)(807.7258, 1785.8257)(808.73724, 2740.1155)(809.7413, 1082.7925)(810.74677, 950.2271)(823.7544, 1161.14)(824.7603, 1435.2) 17 805.7151 805.7151@1.0787134 + C27 H52 Cl N2 O S 1.0909342 [ C27 H52 Cl N2 O S, mfg=56.48, overall=56.48 ] (488.35724, 13969.493)(489.35733, 6902.812)(490.36523, 5880.127)(470.34195, 9232.295)(471.34424, 3688.665)(472.3597, 5537.13)(505.3803, 4915.35) 28 487.3501 C27 H52 Cl N2 O S + C37 H75 N2 S3 1.0799884 [ C37 H75 N2 S3, mfg=79.84, overall=79.84 ] (644.5177, 7001.0835)(645.51935, 3515.4902)(646.51605, 2479.655)(666.4972, 2005.8)(667.4916, 1342.34) 21 643.5175 C37 H75 N2 S3 + 593.1528@1.0811629 1.0811629 (594.1599, 11856.57)(595.16254, 4031.4875)(596.1667, 1120.36) 4 593.1528 593.1528@1.0811629 + C30 H35 N4 O4 S4 1.0816352 [ C30 H35 N4 O4 S4, mfg=80.69, overall=80.69 ] (644.1605, 3444.4763)(645.1632, 1260.269)(646.1652, 1084.07) 34 643.1533 C30 H35 N4 O4 S4 + 190.0997@1.1583173 1.1583173 (381.2106, 2139.68)(191.1074, 4879.8433)(192.1075, 1385.5732) 3 190.0997 190.0997@1.1583173 + 515.3459@1.0834107 1.0834107 (516.3528, 10701.192)(517.3538, 4846.089)(518.36475, 5728.38)(498.34195, 5165.51)(499.34024, 3199.4) 12 515.3459 515.3459@1.0834107 + 2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol 1.0844821 C14970 2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol [ C20 H34 O3, mfg=65.85, db=65.72, overall=65.79, KEGG ID=C14970, METLIN ID=70469 ] (645.5129, 7647.51)(667.48956, 1742.318)(323.2577, 17730.31)(324.2597, 5874.964)(305.247, 3999.87)(340.28534, 1820.2625)(345.24155, 10969.62) 33 322.2509 2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol + Ricinoleic acid 1.0853553 C08365 Ricinoleic acid [ C18 H34 O3, mfg=85.30, db=85.32, overall=85.31, CAS ID=5323-95-5, Lipid ID=LMFA01050233, KEGG ID=C08365, METLIN ID=35485 ] 5323-95-5 (597.5068, 4952.51)(598.5073, 2494.52)(599.5052, 1323.3)(614.536, 1589.37)(619.4892, 2436.8132)(299.258, 9858.041)(300.2591, 2732.5366)(301.2549, 1069.6777)(281.2471, 22758.93)(282.2511, 4227.5)(316.28333, 1830.9766)(321.2418, 13620.316)(322.24677, 3949.545) 30 298.2515 Ricinoleic acid + LMFA01050233 C24 H48 Cl N9 O 1.0889791 [ C24 H48 Cl N9 O, mfg=47.61, overall=47.61 ] (514.3743, 7415.5137)(515.3748, 4038.4795)(516.37964, 10486.402)(517.35516, 10043.733)(518.3689, 30869.346)(496.3576, 4858.69)(497.3497, 2864.08)(498.3422, 8076.0)(536.3562, 2241.74) 30 513.366 C24 H48 Cl N9 O + 330.1398@1.119388 1.119388 (331.14957, 2185.9236)(313.1369, 3802.86)(314.1394, 628.79)(315.1235, 3026.66)(316.1276, 621.83)(348.1804, 3983.27) 6 330.1398 330.1398@1.119388 + 499.3509@1.0849916 1.0849916 (500.3579, 12846.078)(501.3649, 6004.1333)(517.3866, 6110.55)(522.3386, 2120.31) 15 499.3509 499.3509@1.0849916 + 162.1043@1.0818952 1.0818952 (325.21655, 11985.394)(326.22394, 4277.43)(163.11086, 3481.47)(185.0914, 1249.29) 3 162.1043 162.1043@1.0818952 + 627.4078@1.0848854 1.0848854 (628.4143, 3795.86)(629.4273, 2435.35)(630.4252, 2761.15) 2 627.4078 627.4078@1.0848854 + 837.4965@1.0873206 1.0873206 (838.5038, 1393.46)(839.522, 913.6) 2 837.4965 837.4965@1.0873206 + 304.2022@1.083 1.083 (305.2095, 4777.36)(306.2034, 1508.66) 1 304.2022 304.2022@1.083 + 637.4549@1.0833167 1.0833167 (638.46106, 2819.5923)(639.4563, 1704.5801)(640.45593, 3079.5525)(641.4638, 1247.98) 9 637.4549 637.4549@1.0833167 + C29 H60 N5 O5 1.0863765 [ C29 H60 N5 O5, mfg=47.62, overall=47.62 ] (559.4711, 6840.6914)(560.46375, 5677.508)(561.4734, 3542.0566)(576.4933, 4796.65) 14 558.4643 C29 H60 N5 O5 + Cholestenone 1.0824918 C00599 Cholestenone [ C27 H44 O, mfg=47.22, db=44.44, overall=45.83, CAS ID=601-57-0, Lipid ID=LMST01010015, KEGG ID=C00599, HMP ID=HMDB00921, METLIN ID=3898 ] 601-57-0 (769.6868, 41173.992)(385.34537, 14686.667)(386.34427, 5971.7607)(387.34616, 7311.1606)(367.33383, 7694.3525)(368.33487, 3147.9727) 34 384.3383 Cholestenone HMDB00921 + LMST01010015 C23 H39 N5 O2 1.0842038 [ C23 H39 N5 O2, mfg=74.14, overall=74.14 ] (418.31754, 30779.332)(419.31876, 12034.284)(420.32242, 5210.795)(440.30072, 3964.528)(441.30118, 3446.7703) 35 417.3091 C23 H39 N5 O2 + C39 H77 N S4 1.0892477 [ C39 H77 N S4, mfg=80.14, overall=80.14 ] (688.5025, 8391.498)(689.5039, 4125.9517)(690.504, 2962.9016)(710.4813, 1089.1) 27 687.4927 C39 H77 N S4 + 422.2676@1.0868397 1.0868397 (423.2741, 3638.495)(440.3015, 12243.37)(441.3069, 6946.66)(445.2575, 2242.3) 2 422.2676 422.2676@1.0868397 + 326.224@1.0894561 1.0894561 (327.23172, 19260.701)(328.2456, 16446.72) 6 326.224 326.224@1.0894561 + C36 H66 O6 1.0953928 [ C36 H66 O6, mfg=72.44, overall=72.44 ] (595.49255, 12203.485)(596.4953, 7362.6885)(597.5012, 3690.7144)(612.51666, 5604.8687)(613.51733, 2786.138)(617.4749, 4661.841)(618.4677, 3143.8948)(619.4823, 2596.912) 23 594.4849 C36 H66 O6 + 446.3002@1.0842975 1.0842975 (447.3077, 5431.417) 15 446.3002 446.3002@1.0842975 + C27 H44 + 1.0822563 1.0822563 [ C27 H44, mfg=96.11, overall=96.11 ] (369.35086, 53364.402)(370.35425, 16270.771)(371.35635, 3517.752)(372.35403, 685.99) 37 368.3437 C27 H44 + 1.0822563 + 690.6149@1.0812774 1.0812774 (691.6227, 7342.763)(692.6383, 3217.9597)(693.638, 1075.516) 10 690.6149 690.6149@1.0812774 + 409.3221@1.0883002 1.0883002 (410.32922, 4408.589)(427.3551, 15152.094)(428.35385, 6463.2905) 9 409.3221 409.3221@1.0883002 + 82.042@1.085 1.085 (165.0912, 6078.92)(83.0492, 1715.39) 1 82.042 82.042@1.085 + 489.3671@1.0868443 1.0868443 (490.36948, 9630.663)(491.37228, 5968.09)(492.36743, 4502.5527)(507.3961, 2152.71)(512.3561, 3787.65)(513.3626, 2019.42) 7 489.3671 489.3671@1.0868443 + Vernolic acid 1.089021 C08368 Vernolic acid [ C18 H32 O3, mfg=85.32, db=85.31, overall=85.31, CAS ID=503-07-1, Lipid ID=LMFA01070017, KEGG ID=C08368, METLIN ID=3424 ] 503-07-1 (593.4769, 9371.752)(594.47845, 5878.9316)(595.49255, 13342.209)(596.4959, 8365.127)(597.50183, 3757.856)(610.50226, 7852.7397)(611.5018, 4053.4668)(612.5163, 6254.1255)(613.51764, 2556.078)(614.5366, 1034.07)(615.4592, 3894.3237)(616.4642, 3267.824)(617.47455, 5338.745)(297.24176, 43495.953)(298.24493, 8908.182)(279.23145, 57410.32)(280.23517, 11971.891)(319.2261, 25020.988)(320.23, 6337.2554) 35 296.2352 Vernolic acid + LMFA01070017 222.981@1.0879354 1.0879354 (223.98825, 20139.7)(224.98965, 4031.9302)(225.98975, 1348.97) 2 222.981 222.981@1.0879354 + 436.3549@1.0818412 1.0818412 (437.35947, 4098.9316)(438.36526, 1823.2148)(454.38623, 1990.7) 15 436.3549 436.3549@1.0818412 + 590.4517@1.0945187 1.0945187 (591.4592, 6003.2627)(592.46765, 3821.9897)(608.4832, 3457.84) 11 590.4517 590.4517@1.0945187 + 306.2175@1.0970056 1.0970056 (613.4422, 1792.74)(307.2249, 3688.9297)(308.22336, 1534.2484)(289.21466, 4208.17)(290.21625, 1355.925)(329.2073, 2303.05) 10 306.2175 306.2175@1.0970056 + 182.1306@1.1034912 1.1034912 (365.26865, 6689.2344)(366.27057, 2716.4287)(387.25024, 3425.415)(183.13744, 2631.044)(165.1268, 2207.07)(200.16425, 3218.855)(201.1647, 645.6)(205.12216, 3157.7998) 13 182.1306 182.1306@1.1034912 + 413.2779@1.0877229 1.0877229 (844.5849, 967.83496)(414.284, 10914.567)(415.2848, 5560.381)(396.274, 5527.35)(436.26184, 1637.3925) 14 413.2779 413.2779@1.0877229 + 438.2984@1.0905037 1.0905037 (439.30664, 5149.3975)(456.33115, 6884.2)(457.33475, 3765.105)(461.28552, 2315.465) 4 438.2984 438.2984@1.0905037 + 603.4613@1.0743474 1.0743474 (604.4712, 4836.8027)(605.47687, 2662.5225)(606.4734, 2391.51) 8 603.4613 603.4613@1.0743474 + 364.1968@1.0879557 1.0879557 (365.2045, 7066.0996)(366.21942, 3224.26)(367.21246, 13359.415)(368.2176, 713.64) 2 364.1968 364.1968@1.0879557 + 487.1573@1.087 1.087 (488.1645, 2152.99)(489.1626, 806.19)(490.1651, 2870.62)(491.168, 826.13)(492.1787, 1110.32) 1 487.1573 487.1573@1.087 + 5-Dodecenoic acid 1.0899496 5-Dodecenoic acid [ C12 H22 O2, mfg=38.60, db=26.93, overall=32.76, CAS ID=2430-94-6, HMP ID=HMDB00529, METLIN ID=5514 ] 2430-94-6 (397.3293, 2057.3625)(199.16914, 4110.282)(200.16959, 793.8115)(201.16167, 1036.8583)(181.15816, 3052.184)(182.1604, 939.12)(216.1947, 1094.11)(221.15341, 2773.49) 19 198.1618 5-Dodecenoic acid HMDB00529 + 666.6141@1.0868014 1.0868014 (667.62103, 4294.597)(668.6215, 1890.8232)(669.6225, 1017.54) 6 666.6141 666.6141@1.0868014 + 351.2423@1.0813283 1.0813283 (352.24878, 6637.4395)(334.236, 6836.12) 4 351.2423 351.2423@1.0813283 + 136.0883@1.1034302 1.1034302 (273.18423, 3859.2568)(274.1753, 1361.65)(137.09554, 4206.087)(138.0979, 1132.64) 6 136.0883 136.0883@1.1034302 + 395.2674@1.1694297 1.1694297 (396.2754, 5694.254)(397.26868, 2650.665)(398.2791, 5578.5) 3 395.2674 395.2674@1.1694297 + 463.2433@1.0897983 1.0897983 (464.25085, 3715.7131)(465.25055, 1979.995) 11 463.2433 463.2433@1.0897983 + 859.7609@1.0864378 1.0864378 (860.7639, 1921.6832)(861.76917, 1439.51)(862.76984, 854.2001)(877.7902, 694.08) 6 859.7609 859.7609@1.0864378 + 82.078@1.1239336 1.1239336 (165.16295, 878.54)(187.1459, 1649.035)(83.085304, 18232.654)(84.08863, 2108.5833)(105.0694, 7533.1147)(106.0743, 1733.65) 5 82.078 82.078@1.1239336 + 230.2024@1.089 1.089 (231.2097, 1274.14) 1 230.2024 230.2024@1.089 + 138.1042@1.1234843 1.1234843 (277.2195, 28570.56)(278.2188, 6093.29)(299.19928, 5409.41)(300.203, 3381.64)(139.11159, 7537.013)(140.11447, 1257.4299)(161.0952, 3519.41)(162.0967, 1479.14) 6 138.1042 138.1042@1.1234843 + 774.6298@1.090663 1.090663 (775.63745, 7423.749)(776.6403, 4151.616)(777.6418, 1509.417)(797.6179, 969.57) 20 774.6298 774.6298@1.090663 + 250.2273@1.088948 1.088948 (251.23546, 2448.4385)(252.23785, 779.3125)(233.22594, 1595.7826)(273.22113, 2187.085)(274.2294, 942.98) 13 250.2273 250.2273@1.088948 + 480.3097@1.0963318 1.0963318 (481.31842, 6184.541)(482.32095, 3349.116)(483.3211, 1358.96)(498.34253, 10775.064)(499.3429, 4620.45)(503.2976, 2153.39) 9 480.3097 480.3097@1.0963318 + C43 H85 S2 1.0889592 [ C43 H85 S2, mfg=91.62, overall=91.62 ] (666.6183, 6119.372)(667.62115, 2914.808)(668.6214, 1500.8232)(669.6237, 420.14) 27 665.6111 C43 H85 S2 + 300.2086@1.1117837 1.1117837 (601.4238, 1568.49)(618.452, 2666.39)(623.405, 1593.11)(301.2159, 10208.325)(302.22174, 3414.5476) 8 300.2086 300.2086@1.1117837 + 178.1357@1.1062034 1.1062034 (379.25543, 2391.69)(179.1425, 9568.85)(180.1454, 1888.9056)(161.1323, 5662.79)(201.12407, 1811.2435)(202.1391, 1012.6) 9 178.1357 178.1357@1.1062034 + C24 H29 N2 S 1.0945745 [ C24 H29 N2 S, mfg=76.00, overall=76.00 ] (772.4435, 910.01)(378.21295, 7698.31)(379.21396, 2690.7385)(380.212, 1606.2163) 27 377.2054 C24 H29 N2 S + 302.2241@1.0925554 1.0925554 (627.4304, 743.2)(303.23135, 25771.63)(304.2353, 6786.008)(305.2426, 2831.18) 14 302.2241 302.2241@1.0925554 + C35 H61 N8 O5 1.0977564 [ C35 H61 N8 O5, mfg=61.08, overall=61.08 ] (674.48395, 26253.086)(675.4872, 11503.855)(676.4929, 11349.882)(677.5037, 17287.521)(678.5028, 11213.47)(656.4736, 5766.862)(657.47485, 3353.76)(691.5068, 1113.82)(696.4637, 963.85) 27 673.4767 C35 H61 N8 O5 + C23 H29 O5 1.0948123 [ C23 H29 O5, mfg=88.43, overall=88.43 ] (386.20905, 21748.883)(387.2143, 6081.3496)(388.21375, 2073.2283) 26 385.2018 C23 H29 O5 + 276.2087@1.0942816 1.0942816 (553.4256, 1488.59)(277.2162, 55760.547)(278.2194, 12401.02)(299.19775, 2402.5234) 9 276.2087 276.2087@1.0942816 + 94.0782@1.092 1.092 (95.0855, 9357.83)(96.0886, 928.21) 1 94.0782 94.0782@1.092 + C14 H20 O4 1.0959178 [ C14 H20 O4, mfg=85.45, overall=85.45 ] (505.2804, 988.73)(253.14336, 33185.836)(254.14732, 5633.41)(275.1256, 800.79004) 34 252.1361 C14 H20 O4 + 521.1469@1.0963829 1.0963829 (522.1545, 1223.06)(523.163, 604.6)(524.1663, 660.35) 2 521.1469 521.1469@1.0963829 + 12,13S-epoxy-9Z,11-octadecadienoic acid 1.093414 C04594 12,13S-epoxy-9Z,11-octadecadienoic acid [ C18 H30 O3, mfg=85.65, db=85.61, overall=85.63, KEGG ID=C04594, METLIN ID=35870 ] (589.4452, 6052.865)(590.4396, 5010.55)(606.47144, 3659.2673)(607.4621, 2400.7551)(608.4787, 3624.07)(611.4276, 2478.5315)(295.22665, 296817.5)(296.22998, 61340.9)(277.21625, 70748.72)(278.21945, 15683.877)(312.2524, 16447.85)(317.20923, 29078.412)(318.21146, 10118.632) 37 294.2195 12,13S-epoxy-9Z,11-octadecadienoic acid + C44 H83 N O3 1.0941621 [ C44 H83 N O3, mfg=86.81, overall=86.81 ] (674.64404, 11905.902)(675.64716, 5755.492)(676.6517, 2034.4066)(677.6571, 1268.075) 24 673.637 C44 H83 N O3 + C25 H54 Cl2 N3 1.0944386 [ C25 H54 Cl2 N3, mfg=47.60, overall=23.80 ] (467.3722, 8162.197)(468.37512, 5922.035)(469.3643, 2402.14)(484.39584, 4696.2666)(489.3586, 4727.04) 30 466.3649 C25 H54 Cl2 N3 + C19 H39 N O S2 1.0918067 [ C19 H39 N O S2, mfg=76.21, overall=76.21 ] (740.5302, 1265.39)(741.5291, 823.19)(362.25412, 153869.25)(363.2565, 36050.867)(364.2658, 17430.383)(365.26935, 12620.41)(366.2723, 3628.52)(384.23853, 4751.6533)(385.2386, 3784.31) 32 361.2463 C19 H39 N O S2 + C21 H47 N4 O3 1.0927575 [ C21 H47 N4 O3, mfg=64.82, overall=64.82 ] (824.7658, 910.6767)(404.3726, 8787.504)(405.37363, 3506.58)(406.38245, 1765.3091)(421.3992, 991.26)(426.3583, 1880.03) 20 403.3656 C21 H47 N4 O3 + 445.2677@1.0907878 1.0907878 (908.5699, 810.33)(909.5599, 1006.56)(446.277, 9919.311)(447.27655, 4824.9966) 12 445.2677 445.2677@1.0907878 + gamma-Nonalactone 1.1251279 C08501 gamma-Nonalactone [ C9 H16 O2, mfg=47.09, db=50.57, overall=48.83, CAS ID=104-61-0, KEGG ID=C08501, METLIN ID=67023 ] 104-61-0 (313.23694, 3345.46)(330.26315, 8751.323)(331.2697, 5694.95)(157.12201, 5196.8105)(158.1213, 991.355)(139.1116, 7538.9736)(140.11525, 1809.945)(179.1062, 3413.96) 18 156.1147 gamma-Nonalactone + 4,7,10,13-Hexadecatetraenoic acid 1.0977863 4,7,10,13-Hexadecatetraenoic acid [ C16 H26 O2, mfg=77.77, db=77.70, overall=77.74, METLIN ID=35300 ] (501.393, 2092.64)(251.19968, 7475.643)(252.20229, 1616.8457)(233.18855, 1199.27)(273.1836, 3123.66)(274.1867, 861.2) 18 250.1926 4,7,10,13-Hexadecatetraenoic acid + 825.483@1.1123317 1.1123317 (826.4938, 921.47253)(827.50024, 715.13666)(828.5065, 1027.65) 4 825.483 825.483@1.1123317 + 833.746@1.0908495 1.0908495 (834.7532, 2254.2888)(835.75555, 1336.6338)(836.7593, 1039.9) 8 833.746 833.746@1.0908495 + C32 H52 S 1.1024836 [ C32 H52 S, mfg=77.38, overall=77.38 ] (469.3876, 17937.691)(470.3887, 9223.56)(471.38974, 3575.355)(451.3745, 1957.5901)(486.4137, 1192.88)(491.37192, 4730.402) 32 468.3807 C32 H52 S + 192.115@1.1252834 1.1252834 (402.2671, 3030.0)(193.12248, 5381.468)(194.1264, 1567.935)(215.1051, 1232.3999) 8 192.115 192.115@1.1252834 + Okanin 4''-(4''''-acetyl-6''''-p-coumarylglucoside) 1.1057636 Okanin 4''-(4''''-acetyl-6''''-p-coumarylglucoside) [ C32 H30 O14, mfg=90.56, db=90.52, overall=90.54, Lipid ID=LMPK12120159, METLIN ID=51963 ] (639.17035, 4738.7637)(640.17444, 1732.8041)(641.1765, 767.4475) 16 638.1631 Okanin 4''-(4''''-acetyl-6''''-p-coumarylglucoside) + LMPK12120159 7S,8S-dihydroxy-9Z,12Z,15Z-octadecatrienoic acid 1.097548 C07357 7S,8S-dihydroxy-9Z,12Z,15Z-octadecatrienoic acid [ C18 H30 O4, mfg=81.63, db=81.55, overall=81.59, KEGG ID=C07357, METLIN ID=35694 ] (621.4343, 1970.9451)(638.456, 1500.82)(643.4193, 3124.93)(311.22153, 52504.117)(312.2237, 12823.516)(313.2328, 5067.34)(293.21097, 79635.37)(294.2138, 18898.773)(328.24774, 38540.984)(329.24973, 11443.861)(333.2047, 19104.383)(334.211, 10715.0) 34 310.2141 7S,8S-dihydroxy-9Z,12Z,15Z-octadecatrienoic acid + 692.6472@1.0942184 1.0942184 (693.65216, 1541.32)(694.6491, 880.64667) 3 692.6472 692.6472@1.0942184 + 562.4037@1.128833 1.128833 (563.4211, 7670.742)(564.4257, 2495.61) 5 562.4037 562.4037@1.128833 + 411.2617@1.0940025 1.0940025 (840.5529, 817.19)(412.26886, 15842.125)(413.2708, 7893.6104) 19 411.2617 411.2617@1.0940025 + 663.6161@1.0984019 1.0984019 (664.6197, 1530.8207)(665.62317, 898.905)(666.619, 5216.6357)(667.6212, 1493.535)(668.61694, 467.21503)(646.61237, 6507.3315)(647.61633, 3101.3184) 14 663.6161 663.6161@1.0984019 + 4-oxo-9Z,11E,13E-octadecatrienoic acid 1.1009626 C08319 4-oxo-9Z,11E,13E-octadecatrienoic acid [ C18 H28 O3, mfg=76.35, db=76.26, overall=76.31, KEGG ID=C08319, METLIN ID=35858 ] (585.4152, 2129.89)(607.3886, 1241.8534)(293.21066, 41623.383)(294.2123, 9907.532)(275.20026, 6871.5625)(276.19867, 3832.87)(310.23688, 1918.7559)(315.1957, 1175.88) 29 292.2037 4-oxo-9Z,11E,13E-octadecatrienoic acid + 781.5278@1.1011045 1.1011045 (782.53314, 1695.3754)(783.53906, 1161.6713)(784.5459, 994.49396) 17 781.5278 781.5278@1.1011045 + 78.0464@1.099 1.099 (79.0536, 2027.57) 1 78.0464 78.0464@1.099 + C41 H86 Cl N2 O4 1.0993708 [ C41 H86 Cl N2 O4, mfg=64.23, overall=64.23 ] (706.6209, 3122.2104)(707.6151, 3561.96)(708.6166, 1698.32)(688.6231, 7669.345)(689.62756, 3626.515)(690.6358, 8999.59)(728.6141, 3460.4133)(729.61554, 1579.2)(730.62744, 1888.355) 16 705.6236 C41 H86 Cl N2 O4 + 469.2702@1.1 1.1 (470.2775, 8056.21)(471.2817, 3116.0) 1 469.2702 469.2702@1.1 + MG(0:0/22:2(13Z,16Z)/0:0) 1.1036906 MG(0:0/22:2(13Z,16Z)/0:0) [ C25 H46 O4, mfg=42.91, db=12.03, overall=27.47, HMP ID=HMDB11553, METLIN ID=62336 ] (838.7131, 539.33)(411.34555, 6545.4575)(412.3462, 2901.1074)(413.33487, 4084.6077)(433.33026, 5364.13) 31 410.338 MG(0:0/22:2(13Z,16Z)/0:0) HMDB11553 + C19 H39 N S2 1.108086 [ C19 H39 N S2, mfg=81.63, overall=81.63 ] (691.5033, 1469.72)(708.53406, 1258.025)(346.25836, 53997.344)(347.26163, 15123.52)(348.26907, 4854.727)(368.24146, 6402.4927)(369.24146, 3230.6401) 29 345.251 C19 H39 N S2 + 619.479@1.0976723 1.0976723 (620.48895, 5587.521)(621.48944, 2976.4915)(622.49023, 2641.8926) 14 619.479 619.479@1.0976723 + DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0) 1.1028801 DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0) [ C47 H80 O5, mfg=90.62, db=89.87, overall=90.25, HMP ID=HMDB07697, METLIN ID=59163 ] (725.61035, 6082.1567)(726.6137, 3524.4814)(727.6148, 2079.466)(707.60114, 7688.9155)(708.60236, 4058.5298)(709.5915, 2009.457)(747.59204, 54359.38)(748.5957, 24893.898)(749.5987, 6828.535)(750.6014, 1625.6875)(751.6262, 396.71) 36 724.6031 DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0) HMDB07697 + 560.1307@1.111954 1.111954 (561.1386, 2398.5044)(562.14325, 1000.80664)(563.1495, 609.0333) 13 560.1307 560.1307@1.111954 + C34 H50 N6 O6 S 1.100677 [ C34 H50 N6 O6 S, mfg=90.55, overall=90.55 ] (671.3569, 9145.9)(672.3617, 3906.8364)(673.365, 1568.7407)(674.3617, 372.675) 33 670.3509 C34 H50 N6 O6 S + 723.6059@1.0922968 1.0922968 (724.61383, 1816.7006)(725.6106, 889.44995)(706.5996, 2659.27)(741.6393, 101370.984)(746.5949, 12765.173) 17 723.6059 723.6059@1.0922968 + C35 H77 N14 O3 1.1026303 [ C35 H77 N14 O3, mfg=99.13, overall=99.13 ] (742.63763, 422706.78)(743.64044, 198296.9)(744.64276, 49426.043)(745.6454, 9914.103)(764.6172, 983.2867)(765.61206, 613.7) 36 741.6304 C35 H77 N14 O3 + MG(18:0/0:0/0:0) 1.1036855 MG(18:0/0:0/0:0) [ C21 H42 O4, mfg=99.45, db=99.40, overall=99.43, HMP ID=HMDB11131, METLIN ID=61993 ] (739.6082, 22424.15)(740.6162, 17577.07)(359.31543, 358754.06)(360.31848, 87766.5)(361.3216, 13929.046)(362.32492, 3123.079)(341.3045, 78227.89)(342.3077, 18058.045)(343.30927, 3289.733)(344.3117, 938.955)(376.34186, 293278.44)(377.34494, 68161.18)(378.34836, 11825.283)(379.35187, 2050.2678)(381.29724, 142113.33)(382.3005, 33144.76) 36 358.308 MG(18:0/0:0/0:0) HMDB11131 + C18 H34 O 1.1034911 [ C18 H34 O, mfg=87.03, overall=87.03 ] (555.5115, 666.89)(267.26794, 15423.427)(268.2711, 3349.3794)(269.27063, 1140.4786)(249.25737, 2870.336)(250.26106, 1108.6901) 36 266.2608 C18 H34 O + 494.2576@1.1052226 1.1052226 (495.2659, 4101.283)(496.27213, 1991.1572)(497.27725, 1303.5281)(477.2566, 1377.46)(512.2972, 1123.09) 24 494.2576 494.2576@1.1052226 + 675.3076@1.1037425 1.1037425 (676.3155, 2488.29)(677.3217, 1025.5349) 3 675.3076 675.3076@1.1037425 + 739.6113@1.09993 1.09993 (740.6179, 25520.07)(741.6095, 704.645)(742.6085, 1627.73)(743.6208, 230.93)(757.6487, 807.99)(762.6021, 1885.63) 18 739.6113 739.6113@1.09993 + C32 H37 N S2 1.1041573 [ C32 H37 N S2, mfg=77.74, overall=77.74 ] (500.24393, 6533.1562)(501.24838, 2698.3516)(502.25568, 1231.23)(517.27264, 781.75) 36 499.2364 C32 H37 N S2 + 397.2466@1.1333699 1.1333699 (795.5005, 1613.26)(398.252, 4012.3848) 2 397.2466 397.2466@1.1333699 + C33 H31 N5 O 1.1044403 [ C33 H31 N5 O, mfg=78.60, overall=78.60 ] (514.2601, 4148.341)(515.2639, 1890.1725)(516.2667, 933.0551) 33 513.2527 C33 H31 N5 O + 356.2905@1.1052545 1.1052545 (357.29858, 18127.064)(358.3008, 9520.42)(374.32495, 11264.385)(375.32803, 3693.8965)(379.28018, 7265.5205)(380.2846, 2543.93) 7 356.2905 356.2905@1.1052545 + 417.2356@1.1166131 1.1166131 (418.24274, 36029.7)(419.24567, 16593.17)(420.25266, 10793.582)(435.2725, 1329.56)(440.2276, 2454.56) 18 417.2356 417.2356@1.1166131 + 738.602@1.1154525 1.1154525 (739.60815, 25327.172)(740.6024, 2445.96) 8 738.602 738.602@1.1154525 + 1107.9235@1.1042902 1.1042902 (1108.9309, 3177.2036)(1109.9332, 1933.9347)(1110.9358, 926.2234) 33 1107.9235 1107.9235@1.1042902 + C38 H73 N O3 1.1020283 [ C38 H73 N O3, mfg=57.51, overall=57.51 ] (592.5651, 2609.8684)(593.57324, 1314.5851)(594.57855, 787.97675) 24 591.5575 C38 H73 N O3 + 421.3037@1.1157502 1.1157502 (422.31223, 13050.399)(423.3127, 7803.996)(424.31366, 2590.6626)(439.33997, 3923.3452)(440.3422, 2243.65) 24 421.3037 421.3037@1.1157502 + C21 H29 N8 O 1.1045073 [ C21 H29 N8 O, mfg=91.86, overall=91.86 ] (819.5019, 757.66)(410.25333, 37777.676)(411.2579, 10643.714)(412.2692, 0.0)(392.2404, 8375.95)(427.2748, 1701.6)(432.2379, 91958.18)(433.2419, 26078.35) 22 409.246 C21 H29 N8 O + Loxtidine 1.1108028 C11805 Loxtidine [ C19 H29 N5 O2, mfg=59.80, db=59.67, overall=59.73, CAS ID=76956-02-0, KEGG ID=C11805, METLIN ID=69234 ] 76956-02-0 (719.4711, 878.64)(360.2375, 48955.395)(361.2404, 16789.178)(377.26578, 5800.09) 26 359.2303 Loxtidine + C48 H85 N S 1.1088941 [ C48 H85 N S, mfg=74.70, overall=74.70 ] (708.6466, 3099.7842)(709.65094, 1562.9921)(710.6473, 1017.3366)(690.63684, 6656.5527)(691.63983, 3428.3933)(730.6264, 1398.445) 27 707.641 C48 H85 N S + 899.7922@1.1121328 1.1121328 (900.7991, 4702.7925)(901.80286, 2616.9268)(902.8074, 1216.1823)(903.81006, 381.33002) 13 899.7922 899.7922@1.1121328 + 783.5286@1.11 1.11 (784.5359, 2199.45)(785.5398, 937.89) 1 783.5286 783.5286@1.11 + 493.2517@1.11 1.11 (494.2548, 1177.16)(476.2485, 20351.41)(477.2523, 5673.48)(478.261, 2163.02) 1 493.2517 493.2517@1.11 + Loxtidine + 1.1110786 1.1110786 C11805 Loxtidine [ C19 H29 N5 O2, mfg=47.19, db=47.17, overall=47.18, CAS ID=76956-02-0, KEGG ID=C11805, METLIN ID=69234 ] 76956-02-0 (377.26556, 7372.74) 19 376.2589 Loxtidine + 1.1110786 + Buspirone 1.1217374 C06861 Buspirone [ C21 H31 N5 O2, mfg=72.67, db=72.65, overall=72.66, CAS ID=36505-84-7, KEGG ID=C06861, METLIN ID=1449 ] 36505-84-7 (771.5039, 1715.31)(772.5102, 1860.99)(793.481, 883.82)(386.25317, 55940.117)(387.2558, 15051.816)(388.26114, 7834.3438)(408.23798, 3917.15) 28 385.2461 Buspirone + C39 H82 Cl N2 O2 1.105903 [ C39 H82 Cl N2 O2, mfg=47.61, overall=47.61 ] (646.61237, 6106.4033)(647.61646, 2963.478)(648.6284, 5476.22)(649.6323, 1892.44)(650.6373, 665.12)(628.603, 950.715)(668.5958, 819.71) 28 645.6051 C39 H82 Cl N2 O2 + 597.4253@1.0773528 1.0773528 (598.431, 4464.295)(599.4407, 2318.8901)(600.4431, 5512.93)(580.4233, 4432.34)(581.4268, 2088.69)(615.4591, 3420.29)(616.4701, 2734.23) 9 597.4253 597.4253@1.0773528 + 737.5987@1.111754 1.111754 (738.60565, 16393.305)(739.6109, 26447.41)(740.6194, 32590.26) 30 737.5987 737.5987@1.111754 + 581.4325@1.105068 1.105068 (582.43933, 4907.891)(583.44116, 2465.517)(584.4544, 3246.79)(564.429, 55978.62)(565.4322, 22424.36)(566.4357, 11168.38)(567.4459, 4634.96)(599.472, 1355.01) 9 581.4325 581.4325@1.105068 + 336.2647@1.0958407 1.0958407 (337.27148, 4030.8213)(338.27252, 1807.1125)(359.2531, 2211.72) 8 336.2647 336.2647@1.0958407 + C21 H41 N O4 1.1124524 [ C21 H41 N O4, mfg=47.46, overall=47.46 ] (760.6442, 1155.6849)(761.6411, 703.49664)(372.31107, 14823.258) 16 371.3039 C21 H41 N O4 + 461.2616@1.1596166 1.1596166 (462.27036, 2096.7)(463.2708, 1296.71)(464.279, 1810.63)(444.25867, 21754.305)(445.25644, 8685.11) 3 461.2616 461.2616@1.1596166 + Strictosidine aglycone 1.1083748 C03309 Strictosidine aglycone [ C21 H24 N2 O4, mfg=76.89, db=76.53, overall=76.71, CAS ID=85925-13-9, KEGG ID=C03309, METLIN ID=64335 ] 85925-13-9 (369.18283, 17695.234)(370.18762, 5001.3926)(371.18854, 2264.3857)(351.1757, 1317.99)(386.20892, 19435.596)(387.21454, 5185.05)(388.2112, 1739.67)(391.16553, 1905.31) 32 368.1754 Strictosidine aglycone + 727.6022@1.1169428 1.1169428 (728.60724, 3559.67)(729.6045, 1862.6942)(730.62506, 1433.2949) 12 727.6022 727.6022@1.1169428 + 461.3355@1.1112067 1.1112067 (462.3441, 8841.61)(463.34244, 5669.865)(464.3465, 3278.11)(479.3687, 2503.38) 16 461.3355 461.3355@1.1112067 + 643.5898@1.1208527 1.1208527 (644.59656, 1884.4772)(645.599, 973.1189) 10 643.5898 643.5898@1.1208527 + 615.5838@1.119617 1.119617 (616.59314, 1497.75)(617.59985, 1173.005)(618.5814, 2216.95)(619.5843, 726.91)(620.5968, 11956.19) 2 615.5838 615.5838@1.119617 + C9 H13 N O7 S + 1.1103886 1.1103886 [ C9 H13 N O7 S, mfg=86.94, overall=86.94 ] (280.04855, 6919.9917)(281.0517, 1233.7675)(282.04843, 799.18396) 27 279.0413 C9 H13 N O7 S + 1.1103886 + Ferimzone 1.1297677 C18579 Ferimzone [ C15 H18 N4, mfg=58.21, db=58.18, overall=58.19, CAS ID=89269-64-7, KEGG ID=C18579, METLIN ID=72381 ] 89269-64-7 (526.33954, 1252.0233)(531.28784, 903.16504)(255.15895, 13939.758)(256.1688, 4219.746)(237.14824, 8006.543)(238.1506, 773.38)(272.18552, 12695.573)(273.18533, 4655.9116) 25 254.1516 Ferimzone + 4-Dodecylphenol 1.1330767 C14245 4-Dodecylphenol [ C18 H30 O, mfg=81.64, db=81.56, overall=81.60, CAS ID=104-43-8, KEGG ID=C14245, METLIN ID=69906 ] 104-43-8 (263.23636, 5348.263)(264.24338, 1855.5045)(245.22588, 1825.166)(280.26328, 17482.625)(281.26593, 4235.915)(285.2191, 2002.55) 25 262.2293 4-Dodecylphenol + MG(0:0/20:2(11Z,14Z)/0:0) 1.1227365 MG(0:0/20:2(11Z,14Z)/0:0) [ C23 H42 O4, mfg=47.30, db=47.26, overall=47.28, HMP ID=HMDB11544, METLIN ID=62328 ] (765.6454, 676.46)(383.315, 11970.161)(384.31735, 4358.544)(385.30798, 2634.8179) 21 382.3069 MG(0:0/20:2(11Z,14Z)/0:0) HMDB11544 + Jasmonic acid 1.1927333 C08491 Jasmonic acid [ C12 H18 O3, mfg=47.60, db=39.61, overall=43.61, CAS ID=6894-38-8, Lipid ID=LMFA02020001, KEGG ID=C08491, METLIN ID=3345 ] 6894-38-8 (421.2599, 1792.015)(438.2843, 5671.33)(439.3, 2073.52)(443.244, 866.1)(211.13292, 19952.654)(212.13959, 3674.9539)(213.1343, 9805.3)(214.1284, 1687.88)(215.1303, 1734.64)(193.12225, 12876.385)(228.15771, 1465.8334)(233.1167, 2938.67) 27 210.1256 Jasmonic acid + LMFA02020001 C17 H39 N4 O3 1.1331948 [ C17 H39 N4 O3, mfg=75.41, overall=75.41 ] (712.6401, 847.73)(348.30972, 12659.145)(349.31195, 3512.1238) 22 347.303 C17 H39 N4 O3 + 222.1618@1.1149958 1.1149958 (445.33014, 3053.125)(223.16902, 11866.19)(224.17247, 2225.385)(205.15717, 1794.4767)(240.1942, 1365.55)(245.15024, 1841.35) 31 222.1618 222.1618@1.1149958 + 452.3131@1.1725311 1.1725311 (453.32056, 2884.98)(435.3141, 2295.78)(470.34802, 8048.532)(471.3616, 5533.187)(472.3564, 6359.74) 5 452.3131 452.3131@1.1725311 + C27 H47 N S 1.118289 [ C27 H47 N S, mfg=66.50, overall=66.50 ] (418.3501, 9453.371)(419.35266, 3630.204)(435.3808, 1317.12) 22 417.3435 C27 H47 N S + 383.2302@1.1107485 1.1107485 (384.23782, 12482.648)(385.24078, 5187.94) 14 383.2302 383.2302@1.1107485 + 441.2361@1.1236916 1.1236916 (442.24344, 22235.916)(443.2388, 8771.55)(444.2239, 4309.165)(424.2391, 1777.06)(459.269, 1620.0701) 17 441.2361 441.2361@1.1236916 + 775.5521@1.0943054 1.0943054 (776.5543, 1610.19)(777.5519, 1025.11) 2 775.5521 775.5521@1.0943054 + 238.2292@1.1164654 1.1164654 (499.4522, 686.39)(239.23628, 1585.9384)(240.2347, 786.02)(256.2632, 6918.751)(257.26575, 1550.3251)(261.2205, 1177.51) 19 238.2292 238.2292@1.1164654 + C28 H57 N8 O 1.1165879 [ C28 H57 N8 O, mfg=63.19, overall=63.19 ] (522.47375, 3734.5361)(523.4767, 1602.1141)(524.47736, 1300.1575)(544.4541, 1838.1083)(545.4572, 934.76) 31 521.4647 C28 H57 N8 O + C40 H81 N4 O4 S 1.1117585 [ C40 H81 N4 O4 S, mfg=94.84, overall=94.84 ] (714.605, 123089.62)(715.60815, 51264.273)(716.6121, 16651.023)(717.6158, 3938.1519)(718.6179, 1119.07)(731.6274, 636.57)(736.58673, 1882.9191) 34 713.5984 C40 H81 N4 O4 S + 346.2083@1.122271 1.122271 (693.4309, 3176.18)(694.43, 2891.33)(695.4349, 7553.97)(347.21957, 3885.7334)(348.2201, 1821.2) 3 346.2083 346.2083@1.122271 + 601.5781@1.1201752 1.1201752 (602.586, 1923.095)(603.5891, 1058.0925)(604.5992, 820.88) 4 601.5781 601.5781@1.1201752 + C39 H79 Cl N7 O2 1.1172304 [ C39 H79 Cl N7 O2, mfg=47.62, overall=47.62 ] (713.608, 31674.732)(735.5876, 806.27) 32 712.6006 C39 H79 Cl N7 O2 + 422.3067@1.1120433 1.1120433 (845.6134, 949.23)(862.6469, 834.35)(423.31116, 4871.878)(424.30893, 2149.6042)(425.31073, 4184.315)(426.3105, 2821.08)(427.3037, 1080.08)(440.3391, 3076.74) 11 422.3067 422.3067@1.1120433 + 679.609@1.1161505 1.1161505 (680.6158, 1524.2201)(681.6191, 871.98)(682.60406, 725.6225)(662.6071, 2292.0115)(663.61017, 1267.6328)(702.598, 1324.658)(703.59564, 809.23)(704.6162, 1453.41) 12 679.609 679.609@1.1161505 + 543.3819@1.1239438 1.1239438 (544.38696, 5380.7134)(545.38934, 2723.0078)(546.40045, 7092.47)(566.3645, 1731.36) 9 543.3819 543.3819@1.1239438 + 711.461@1.1206167 1.1206167 (712.4756, 1994.525)(713.47925, 1474.2451)(714.4843, 2284.2)(734.451, 1845.7)(735.4532, 1350.69)(736.4635, 2208.61)(737.4662, 1676.04) 2 711.461 711.461@1.1206167 + 795.502@1.1056448 1.1056448 (796.50757, 1331.18)(797.5327, 1252.47) 3 795.502 795.502@1.1056448 + 847.7628@1.1109972 1.1109972 (848.76825, 4348.194)(849.7722, 2401.2825)(850.77734, 1702.3357)(851.7842, 511.31)(870.7537, 2829.2)(871.7573, 1670.19)(872.7689, 7102.28)(873.7733, 4184.0)(874.7826, 2375.22)(875.7834, 894.13) 20 847.7628 847.7628@1.1109972 + 678.5611@1.116564 1.116564 (679.56805, 2706.5168)(680.56714, 1766.8381)(681.5715, 1199.3557)(696.5886, 1055.715) 27 678.5611 678.5611@1.116564 + 633.6014@1.120831 1.120831 (634.60754, 2340.1724)(635.6117, 1428.6444)(636.5962, 1630.9199)(651.643, 2183.89)(656.5834, 896.35) 9 633.6014 633.6014@1.120831 + 627.5949@1.1180421 1.1180421 (628.6005, 2052.58)(629.6049, 994.19)(630.61755, 6325.4004)(631.62067, 2871.8901) 4 627.5949 627.5949@1.1180421 + C44 H75 N3 O4 1.1191604 [ C44 H75 N3 O4, mfg=47.59, overall=47.59 ] (710.5782, 6311.025)(711.5809, 4839.4126)(712.5882, 6569.4585)(727.60974, 1624.915)(732.5583, 1519.0513)(733.55676, 1679.035)(734.568, 1416.415) 33 709.5679 C44 H75 N3 O4 + C16 H25 Cl N 1.1136461 [ C16 H25 Cl N, mfg=82.13, overall=41.06 ] (533.34076, 1434.69)(550.36285, 2065.34)(555.3203, 1037.72)(267.17227, 35558.09)(268.17615, 5831.7075)(269.17456, 13743.765)(270.17648, 2870.4033) 32 266.1647 C16 H25 Cl N + DG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) 1.118149 DG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) [ C47 H74 O5, mfg=95.73, db=95.75, overall=95.74, HMP ID=HMDB07699, METLIN ID=59164 ] (719.56067, 20666.535)(720.5639, 9492.352)(721.5683, 3141.8264)(722.56744, 677.2183)(736.587, 1241.35)(741.5467, 1008.73) 33 718.5534 DG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) HMDB07699 + Aminopentol 1.1181566 C19805 Aminopentol [ C22 H47 N O5, mfg=46.13, db=18.31, overall=32.22, CAS ID=145040-09-1, KEGG ID=C19805, METLIN ID=73370 ] 145040-09-1 (406.3509, 3702.116)(407.35275, 1737.9662)(408.34525, 2841.5898)(423.3828, 1148.5)(428.33386, 2074.56) 18 405.3434 Aminopentol + 350.2091@1.1141026 1.1141026 (701.4232, 833.065)(718.4472, 1144.2499)(719.43256, 580.855)(351.21564, 26857.06)(352.21805, 7536.1147)(333.20523, 19008.283)(334.20667, 5078.875)(368.24384, 9949.414)(373.19977, 7479.3687)(374.21103, 2961.7168) 15 350.2091 350.2091@1.1141026 + 451.2883@1.1219544 1.1219544 (452.29358, 3301.657) 3 451.2883 451.2883@1.1219544 + 24,25-epoxy-cholesterol 1.1148764 C15632 24,25-epoxy-cholesterol [ C27 H44 O2, mfg=90.17, db=90.14, overall=90.15, CAS ID=, Lipid ID=LMST01010012, KEGG ID=C15632, METLIN ID=3895 ] (823.6553, 1904.73)(824.6576, 1779.16)(401.34048, 61826.992)(402.34277, 21115.66)(403.3479, 5477.3154)(383.3296, 17813.795)(384.33295, 6314.49)(423.32425, 3283.38) 36 400.3333 24,25-epoxy-cholesterol + LMST01010012 620.5938@1.1193519 1.1193519 (621.6001, 3429.62)(622.60876, 2517.145)(623.6146, 1548.69) 2 620.5938 620.5938@1.1193519 + MG(0:0/16:0/0:0) 1.1527176 MG(0:0/16:0/0:0) [ C19 H38 O4, mfg=75.20, db=53.94, overall=64.57, HMP ID=HMDB11533, METLIN ID=62317 ] (661.5532, 773.19)(678.5828, 1074.82)(683.5446, 893.87665)(684.5557, 623.94)(331.28262, 21535.406)(332.2861, 8601.23)(313.273, 7950.875)(314.27277, 2841.88)(348.31042, 15499.703)(349.3124, 4213.137)(353.2661, 16246.938)(354.2736, 19726.94) 28 330.2766 MG(0:0/16:0/0:0) HMDB11533 + 625.5638@1.1231477 1.1231477 (626.5696, 1394.6621)(627.5693, 748.0125)(608.5615, 1491.2921)(609.5647, 998.06006)(648.5499, 3097.2725)(649.54846, 1483.7075)(650.5672, 2606.18) 9 625.5638 625.5638@1.1231477 + 377.256@1.1204244 1.1204244 (378.2618, 13764.361)(379.27225, 7207.322) 15 377.256 377.256@1.1204244 + 621.4787@1.1255745 1.1255745 (622.49304, 1976.175)(623.5045, 978.2)(604.4885, 1248.66) 2 621.4787 621.4787@1.1255745 + Ceramide (d18:1/24:1(15Z)) 1.1221131 C00195 Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, mfg=79.29, db=79.28, overall=79.29, CAS ID=104404-17-3, KEGG ID=C00195, HMP ID=HMDB04953, METLIN ID=7206 ] 104404-17-3 (648.62897, 7612.266)(649.634, 3528.1218)(650.6392, 1525.4409)(651.6459, 599.36)(630.61707, 1675.605)(631.621, 1186.635)(632.6206, 926.87)(670.6109, 987.3171)(671.6205, 947.26) 32 647.621 Ceramide (d18:1/24:1(15Z)) HMDB04953 + 652.5789@1.123 1.123 (653.5861, 902.71)(654.6005, 678.03) 1 652.5789 652.5789@1.123 + 218.0885@1.1225598 1.1225598 (219.09595, 10489.31)(220.09985, 2000.065)(221.088, 1172.48) 2 218.0885 218.0885@1.1225598 + C51 H72 Cl N 1.1924653 [ C51 H72 Cl N, mfg=85.53, overall=85.53 ] (734.5396, 3098.9734)(735.5422, 1775.2465)(736.5461, 1609.2994)(737.5513, 920.065)(716.5313, 5353.11)(717.5347, 2590.61)(718.5182, 1535.82)(756.52075, 952.02875)(757.5332, 2034.18) 25 733.5317 C51 H72 Cl N + C36 H75 Cl2 N10 1.1197988 [ C36 H75 Cl2 N10, mfg=47.59, overall=47.59 ] (718.56274, 5867.0317) 22 717.5565 C36 H75 Cl2 N10 + 762.4752@1.123 1.123 (763.4823, 1270.27)(780.5091, 1681.44) 1 762.4752 762.4752@1.123 + 617.414@1.1261764 1.1261764 (618.4216, 6709.998)(619.42444, 3270.723)(620.42303, 2754.2358)(640.4046, 1444.97)(641.4039, 996.11) 16 617.414 617.414@1.1261764 + 376.2245@1.1274241 1.1274241 (377.23148, 6132.1084)(394.2575, 27972.088)(399.21304, 7407.2397) 5 376.2245 376.2245@1.1274241 + 553.4546@1.1145568 1.1145568 (554.453, 9387.847)(555.4517, 3824.5564)(556.4502, 4943.9297) 9 553.4546 553.4546@1.1145568 + 873.7769@1.1131074 1.1131074 (874.78406, 10726.437)(875.78784, 6283.6514)(876.7927, 3047.4211)(877.7977, 1233.0187) 23 873.7769 873.7769@1.1131074 + 520.4125@1.1267763 1.1267763 (521.4192, 7928.8794)(522.4203, 3696.7388)(523.42914, 2288.084)(503.4064, 5462.87)(543.4009, 3024.71) 18 520.4125 520.4125@1.1267763 + C39 H58 Cl N5 1.1270198 [ C39 H58 Cl N5, mfg=56.77, overall=56.77 ] (632.441, 6340.873)(633.45026, 3288.8298)(634.4536, 2743.259)(635.4641, 897.18)(614.419, 2081.8)(649.46716, 1131.6666)(650.4708, 958.3) 23 631.4376 C39 H58 Cl N5 + Chaulmoogric acid 1.0990576 C08282 Chaulmoogric acid [ C18 H32 O2, mfg=84.47, db=84.42, overall=84.45, CAS ID=29106-32-9, KEGG ID=C08282, METLIN ID=66882 ] 29106-32-9 (561.48505, 3688.1882)(562.48914, 1957.255)(563.48236, 1849.9244)(583.4681, 2021.095)(281.24713, 16455.064)(282.25034, 3589.125)(263.2367, 3693.48)(264.2392, 1042.15)(303.23126, 10163.875)(304.23477, 3205.7363) 35 280.2401 Chaulmoogric acid + 290.1877@1.1252927 1.1252927 (581.3802, 1502.47)(603.3677, 1027.38)(291.19504, 11271.788)(292.19647, 3110.902)(293.2037, 29013.9)(294.2096, 4705.98)(273.1836, 2608.66) 15 290.1877 290.1877@1.1252927 + C26 H50 N6 O3 1.1122506 [ C26 H50 N6 O3, mfg=62.17, overall=62.17 ] (495.40347, 4164.2935)(496.41757, 2043.5065)(497.4165, 2755.46)(512.4279, 3352.13)(513.4303, 1663.13)(517.3868, 4872.587)(518.403, 2885.55) 25 494.396 C26 H50 N6 O3 + C38 H77 N4 O4 S 1.1231338 [ C38 H77 N4 O4 S, mfg=95.41, overall=95.41 ] (686.5735, 31459.49)(687.57623, 13293.516)(688.5758, 5751.9727)(689.5765, 1862.9224)(708.5508, 1019.69995) 33 685.5667 C38 H77 N4 O4 S + 507.4615@1.1251622 1.1251622 (508.46652, 2709.0083)(509.4659, 1251.2401)(510.4818, 797.1) 14 507.4615 507.4615@1.1251622 + 481.4475@1.1178908 1.1178908 (482.45404, 2067.5698)(483.45654, 1053.425)(484.4666, 1010.2) 8 481.4475 481.4475@1.1178908 + C24 H47 Cl2 1.1479974 [ C24 H47 Cl2, mfg=35.61, overall=35.61 ] (828.6417, 732.21)(406.31287, 13799.225)(407.31622, 5037.303)(408.3201, 12941.814)(428.29858, 3217.265)(429.2976, 1564.43) 25 405.3075 C24 H47 Cl2 + (22Z)-1?-hydroxy-22,23-didehydrovitamin D3 / (22Z)-1?-hydroxy-22,23-didehydrocholecalciferol 1.1040775 (22Z)-1?-hydroxy-22,23-didehydrovitamin D3 / (22Z)-1?-hydroxy-22,23-didehydrocholecalciferol [ C27 H42 O2, mfg=61.21, db=61.20, overall=61.21, Lipid ID=LMST03020151, METLIN ID=42090 ] (814.6708, 836.805)(815.6751, 584.56)(399.3263, 15548.285)(400.3296, 5384.2793)(401.3386, 3779.58) 22 398.3185 (22Z)-1?-hydroxy-22,23-didehydrovitamin D3 / (22Z)-1?-hydroxy-22,23-didehydrocholecalciferol + LMST03020151 530.315@1.1263297 1.1263297 (531.32294, 5044.24)(553.3055, 962.91) 4 530.315 530.315@1.1263297 + Athamantin 1.1239628 C09123 Athamantin [ C24 H30 O7, mfg=47.08, db=46.26, overall=46.67, CAS ID=1892-56-4, KEGG ID=C09123, METLIN ID=67446 ] 1892-56-4 (431.20718, 7464.4087)(448.23346, 2468.17)(453.1843, 2987.625) 24 430.1998 Athamantin + 456.29@1.1158186 1.1158186 (457.2977, 3359.632)(458.31, 2922.56) 10 456.29 456.29@1.1158186 + 447.2159@1.1100391 1.1100391 (448.2213, 4786.04)(449.2195, 2506.2812) 11 447.2159 447.2159@1.1100391 + 389.2767@1.1357458 1.1357458 (801.5405, 944.89)(390.2842, 9670.787)(372.2738, 7857.01)(373.2816, 3752.2)(412.2635, 1369.97) 10 389.2767 389.2767@1.1357458 + C19 H29 N5 O4 1.1317564 [ C19 H29 N5 O4, mfg=47.57, overall=47.57 ] (392.23236, 15614.131)(393.23358, 9832.7)(409.25552, 22960.227)(410.2568, 39106.99)(414.21103, 2112.6965) 10 391.2223 C19 H29 N5 O4 + 531.3779@1.1687552 1.1687552 (1080.796, 2194.25)(1081.801, 1347.26)(1082.7993, 707.46)(532.3859, 6100.695)(533.38763, 3301.7966)(534.39844, 2390.67)(554.3629, 1320.07) 6 531.3779 531.3779@1.1687552 + Ubiquinone (Q2) 1.1329608 C00399 Ubiquinone (Q2) [ C19 H26 O4, mfg=60.59, db=60.51, overall=60.55, CAS ID=606-06-4, KEGG ID=C00399, METLIN ID=226 ] 606-06-4 (319.1898, 7479.108)(320.19528, 2672.1748)(341.17093, 1876.4467) 12 318.183 Ubiquinone (Q2) + 696.5691@1.1251916 1.1251916 (697.57715, 2413.3499)(679.5695, 2376.14)(680.567, 1781.2)(714.60565, 136479.7)(715.6086, 55325.113)(716.61273, 19055.68)(717.6151, 3452.11)(719.56085, 19891.168)(720.5641, 9389.405)(721.56915, 3725.6726)(722.5627, 794.7) 16 696.5691 696.5691@1.1251916 + 495.4618@1.1132843 1.1132843 (496.4692, 2053.0486)(497.47266, 1016.728)(498.45, 994.55) 8 495.4618 495.4618@1.1132843 + 364.1887@1.1777319 1.1777319 (365.1956, 12829.706)(366.19717, 4178.8257)(347.1851, 11022.78)(348.1908, 3384.72)(382.2207, 3969.3) 6 364.1887 364.1887@1.1777319 + 296.1263@1.1286856 1.1286856 (297.13348, 10698.053)(298.1375, 2283.0127)(314.16113, 1416.9249) 23 296.1263 296.1263@1.1286856 + Spergualin + 1.1258513 1.1258513 C16747 Spergualin [ C17 H37 N7 O4, mfg=67.63, db=52.60, overall=60.12, CAS ID=80902-43-8, KEGG ID=C16747, METLIN ID=71307 ] 80902-43-8 (404.30008, 39575.31)(405.3034, 11692.072)(406.31134, 6053.24)(386.28848, 35895.176)(387.29175, 11182.22)(421.33075, 2981.1216)(426.28467, 1785.95) 22 403.2926 Spergualin + 1.1258513 + C26 H56 Cl N5 S 1.1287642 [ C26 H56 Cl N5 S, mfg=71.32, overall=71.32 ] (506.40305, 9472.84)(507.40326, 3870.8066)(508.39868, 3344.142)(488.39148, 4943.073)(489.3951, 4213.8)(523.43304, 2218.5266)(528.38916, 2598.1802) 31 505.3963 C26 H56 Cl N5 S + Traumatic Acid 1.1800236 C16308 Traumatic Acid [ C12 H20 O4, mfg=75.90, db=58.47, overall=67.19, CAS ID=6402-36-4, Lipid ID=LMFA01170002, KEGG ID=C16308, HMP ID=HMDB00933, METLIN ID=5882 ] 6402-36-4 (457.28094, 1960.01)(474.30554, 5529.939)(475.30756, 2505.173)(479.26367, 1113.4034)(229.1436, 23134.914)(230.14484, 5056.1167)(231.13933, 2773.5276)(211.1331, 19081.24)(212.1404, 2616.78)(246.16959, 5064.962)(251.12744, 5878.366)(252.12881, 2343.284)(253.1134, 1536.5) 32 228.1362 Traumatic Acid HMDB00933 + LMFA01170002 C17 H36 O3 1.1244005 [ C17 H36 O3, mfg=96.20, overall=96.20 ] (289.2732, 14767.691)(290.2768, 3107.5322)(291.2791, 756.04)(306.29974, 15870.306)(307.30286, 3435.4697)(308.2945, 3891.743)(311.25436, 2029.6299) 36 288.266 C17 H36 O3 + Ceramide (d18:1/16:0) 1.1261863 C00195 Ceramide (d18:1/16:0) [ C34 H67 N O3, mfg=68.64, db=68.64, overall=68.64, CAS ID=104404-17-3, KEGG ID=C00195, HMP ID=HMDB04949, METLIN ID=7202 ] 104404-17-3 (538.51874, 6327.26)(539.52167, 2523.3875)(540.5302, 1725.158)(520.5073, 2805.9275)(521.51025, 1516.5953)(560.4981, 1179.6925) 31 537.5116 Ceramide (d18:1/16:0) HMDB04949 + 17-Ethynyl-10-hydroxy-19-nortestosterone 1.1299831 C14670 17-Ethynyl-10-hydroxy-19-nortestosterone [ C20 H26 O3, mfg=66.89, db=66.78, overall=66.83, CAS ID=1236-00-6, KEGG ID=C14670, METLIN ID=70248 ] 1236-00-6 (629.3872, 1346.4075)(630.3851, 1015.13)(631.3989, 1076.65)(646.4102, 2192.6)(315.19522, 18291.492)(316.19803, 6299.7754)(337.1812, 1959.92) 31 314.188 17-Ethynyl-10-hydroxy-19-nortestosterone + 769.5871@1.125632 1.125632 (770.5939, 6546.545)(771.5985, 3171.5178)(772.60706, 2906.808)(773.6109, 1252.91)(774.618, 1887.69) 15 769.5871 769.5871@1.125632 + 585.4087@1.121237 1.121237 (586.42816, 9369.672)(587.4285, 5072.7617)(588.42737, 4390.2227)(589.4118, 1208.7)(603.45557, 3852.24)(604.4625, 2943.7852)(605.4433, 2633.76) 7 585.4087 585.4087@1.121237 + 695.6411@1.128 1.128 (696.6487, 1444.3)(718.6302, 4007.04)(719.6318, 2468.0)(720.6322, 1097.31) 1 695.6411 695.6411@1.128 + 320.1979@1.1095724 1.1095724 (321.20502, 3895.5723)(322.2022, 1563.0375)(323.2094, 4754.2) 4 320.1979 320.1979@1.1095724 + 17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate 1.1271217 C14947 17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate [ C25 H34 O4, mfg=75.45, db=75.42, overall=75.44, KEGG ID=C14947, METLIN ID=70447 ] (814.5207, 752.6575)(819.4751, 738.63)(399.2502, 216817.19)(400.25436, 44262.266)(401.2578, 9298.989)(402.26352, 2731.2468)(421.23132, 6649.1636)(422.22797, 2127.5552) 36 398.2431 17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate + 753.4698@1.147398 1.147398 (754.47424, 2459.673)(755.4782, 1274.4513)(756.4886, 1068.3267) 16 753.4698 753.4698@1.147398 + C21 H40 O5 1.1279825 [ C21 H40 O5, mfg=97.49, overall=97.49 ] (373.29446, 107790.97)(374.29776, 28739.283)(375.29636, 10167.64)(355.28384, 222673.5)(356.28656, 58193.81)(357.29517, 13053.077)(390.32074, 164439.47)(391.32416, 41142.816)(392.3252, 8808.822)(393.33057, 1672.3044)(395.2762, 70805.59)(396.27917, 20778.139)(397.2841, 9973.606) 36 372.2871 C21 H40 O5 + C10 H19 Cl O S2 1.1305921 [ C10 H19 Cl O S2, mfg=68.86, overall=34.43 ] (255.06517, 19968.143)(256.06918, 3328.1355)(257.05746, 12747.036)(258.06094, 1461.1055) 19 254.0578 C10 H19 Cl O S2 + 780.4999@1.1257378 1.1257378 (781.50836, 1908.2653)(782.5246, 2070.1)(798.5337, 3543.64)(799.5365, 1828.2074)(800.541, 915.3433)(803.4894, 1369.2849)(804.4913, 1197.81) 11 780.4999 780.4999@1.1257378 + 459.3178@1.1294568 1.1294568 (460.32578, 6447.841)(461.32617, 3558.0571)(442.3185, 2499.29)(477.35742, 2177.28) 17 459.3178 459.3178@1.1294568 + 448.3179@1.120718 1.120718 (449.32654, 3666.3867)(450.3298, 2767.38)(431.3146, 9461.67)(432.3067, 4516.61)(471.3083, 2230.12) 6 448.3179 448.3179@1.120718 + 473.2259@1.1651677 1.1651677 (474.23456, 9950.81)(475.23785, 2953.7905)(456.2245, 2303.12) 11 473.2259 473.2259@1.1651677 + C15 H33 Cl N3 O4 1.1242573 [ C15 H33 Cl N3 O4, mfg=69.63, overall=69.63 ] (355.22443, 18718.777)(356.22733, 4919.9087)(357.21408, 4766.8306) 25 354.2171 C15 H33 Cl N3 O4 + 523.4942@1.1272256 1.1272256 (524.501, 1734.7375)(525.50037, 993.53)(506.48935, 1176.6799) 4 523.4942 523.4942@1.1272256 + 26-Hydroxycastasterone 1.133569 C19873 26-Hydroxycastasterone [ C28 H48 O6, mfg=47.31, db=54.38, overall=50.85, KEGG ID=C19873, METLIN ID=73405 ] (481.35168, 3071.268)(482.3455, 1974.0101)(463.3413, 2637.36)(498.37778, 4793.3037)(499.37656, 1806.1699)(500.3911, 3644.24)(503.33392, 2946.926) 11 480.3441 26-Hydroxycastasterone + 511.4563@1.1089655 1.1089655 (512.46606, 1810.7999)(513.4644, 796.66)(494.45267, 4352.04)(495.4564, 2012.7035)(534.4438, 1767.06) 4 511.4563 511.4563@1.1089655 + 668.5382@1.1292306 1.1292306 (669.54553, 2383.1064)(651.532, 1603.91)(686.5733, 22992.93)(687.5766, 8588.46)(688.5745, 5040.93)(689.5749, 1616.76)(691.5295, 5466.6636)(692.5288, 3087.157)(693.5218, 1479.8667) 12 668.5382 668.5382@1.1292306 + 755.6128@1.1304907 1.1304907 (756.6212, 4763.4927)(757.6237, 2356.4868)(758.6243, 1452.9972) 30 755.6128 755.6128@1.1304907 + 406.1994@1.1522738 1.1522738 (407.2063, 2869.1533)(429.18982, 2024.19)(430.2049, 1040.46) 3 406.1994 406.1994@1.1522738 + 308.1987@1.1471931 1.1471931 (309.20596, 17365.959)(310.20877, 6019.9165)(291.195, 13688.609)(292.19812, 3784.4849)(326.23083, 3564.5833)(331.19, 5045.378)(332.1996, 2436.83) 9 308.1987 308.1987@1.1471931 + C16 H34 O3 1.1290222 [ C16 H34 O3, mfg=82.10, overall=82.10 ] (549.50586, 757.97)(275.25797, 6650.888)(276.26123, 1460.1276)(292.28412, 6117.494)(293.28592, 2062.0532) 35 274.2503 C16 H34 O3 + 571.3987@1.1217955 1.1217955 (572.4092, 3501.0068)(573.3915, 2605.51)(574.3994, 4397.44)(594.39343, 3902.79)(595.3861, 2337.855) 3 571.3987 571.3987@1.1217955 + 12-oxo-10E-dodecenoic acid 1.1337296 C16309 12-oxo-10E-dodecenoic acid [ C12 H20 O3, mfg=66.57, db=67.31, overall=66.94, KEGG ID=C16309, METLIN ID=35783 ] (425.2901, 2681.615)(442.31757, 2898.69)(443.3143, 1769.14)(447.2724, 1964.875)(213.14833, 9733.795)(214.14755, 2193.3484)(215.13885, 2344.92)(195.13626, 16613.012)(196.1377, 2300.8198)(230.17401, 2744.9)(231.17426, 1072.02)(235.13306, 4384.5977)(236.1428, 1183.81) 23 212.1413 12-oxo-10E-dodecenoic acid + 208.1104@1.1222334 1.1222334 (417.2245, 4970.69)(209.11732, 5527.816)(210.12022, 1644.9686)(211.1097, 2573.16)(191.1069, 4933.13)(192.1087, 1214.86)(231.1008, 1332.38) 7 208.1104 208.1104@1.1222334 + C36 H68 Cl N2 O 1.1369789 [ C36 H68 Cl N2 O, mfg=73.62, overall=73.62 ] (580.5108, 3481.2988)(581.51483, 1452.1881)(582.5087, 1776.6985)(562.4989, 884.13) 20 579.5034 C36 H68 Cl N2 O + C33 H62 O S2 1.1272999 [ C33 H62 O S2, mfg=72.17, overall=72.17 ] (539.4292, 4097.9487)(540.4187, 2543.78)(521.4187, 7628.0205)(522.4238, 3400.2424)(523.4315, 2102.095)(561.41315, 4535.18)(562.4154, 2896.382)(563.4253, 2934.952)(564.4413, 523.76) 20 538.4224 C33 H62 O S2 + MG(0:0/18:3(6Z,9Z,12Z)/0:0) 1.131286 MG(0:0/18:3(6Z,9Z,12Z)/0:0) [ C21 H36 O4, mfg=44.13, db=55.24, overall=49.69, HMP ID=HMDB11539, METLIN ID=62323 ] (705.5328, 1099.73)(722.5602, 1281.85)(353.26746, 63796.13)(354.27322, 29387.568)(370.29385, 18889.396)(371.3008, 9038.871)(375.24945, 3239.712) 24 352.2603 MG(0:0/18:3(6Z,9Z,12Z)/0:0) HMDB11539 + 471.3539@1.1293588 1.1293588 (472.36197, 4812.444)(473.3623, 2892.0312)(474.3539, 5160.5435)(475.3404, 1066.02)(454.35168, 2291.09)(489.3908, 2797.34)(494.34854, 1347.6001) 12 471.3539 471.3539@1.1293588 + 2,4,6,8-decatetraenal 1.1285329 2,4,6,8-decatetraenal [ C10 H12 O, mfg=71.21, db=71.18, overall=71.20, METLIN ID=36581 ] (149.09563, 8157.064)(150.09653, 1254.2314)(131.0841, 1898.74) 12 148.0883 2,4,6,8-decatetraenal + 357.2505@1.12071 1.12071 (715.5098, 1552.97)(732.5343, 1733.095)(358.25732, 5898.4297)(359.25656, 2384.3374) 12 357.2505 357.2505@1.12071 + 252.1722@1.1192772 1.1192772 (505.35022, 4278.179)(506.367, 7281.77)(507.3298, 11397.39)(522.3727, 1603.355)(527.3327, 1096.37)(253.17831, 4951.454)(254.17798, 1726.2153)(235.16798, 5240.97)(236.1667, 1332.67)(270.2049, 1460.51)(275.16342, 2059.8743) 13 252.1722 252.1722@1.1192772 + C24 H47 N O 1.1286032 [ C24 H47 N O, mfg=77.37, overall=77.37 ] (366.37225, 10025.402)(367.3747, 3187.218)(368.3832, 1298.8667)(383.3975, 575.81) 34 365.3649 C24 H47 N O + 641.5924@1.0839424 1.0839424 (642.5991, 3169.6064)(643.60223, 1713.5254)(644.59344, 1294.2214) 17 641.5924 641.5924@1.0839424 + 642.4489@1.1290601 1.1290601 (643.45184, 1930.96) 2 642.4489 642.4489@1.1290601 + Embelin 1.1563085 C10342 Embelin [ C17 H26 O4, mfg=66.06, db=63.40, overall=64.73, CAS ID=550-24-3, KEGG ID=C10342, METLIN ID=43201 ] 550-24-3 (606.4001, 1473.7866)(611.3503, 831.8)(295.19025, 12302.315)(296.19073, 3507.5466)(297.1977, 2881.68)(277.17896, 10215.43)(278.1805, 2690.9924)(317.17456, 3022.6965) 31 294.183 Embelin + 479.418@1.1339947 1.1339947 (480.42795, 6751.72)(481.42838, 2629.0735) 3 479.418 479.418@1.1339947 + 12-trans-Hydroxy juvenile hormone III 1.1292775 C16508 12-trans-Hydroxy juvenile hormone III [ C16 H26 O4, mfg=47.34, db=20.42, overall=33.88, CAS ID=, KEGG ID=C16508, METLIN ID=64604 ] (565.3731, 2247.63)(283.1897, 11124.729)(284.18796, 4193.6724)(285.18436, 3221.7817)(265.1789, 3629.9702)(300.2143, 9972.654)(301.21716, 6050.15)(305.17456, 2634.434) 25 282.1821 12-trans-Hydroxy juvenile hormone III + 665.5561@1.1322609 1.1322609 (666.56323, 2145.6125)(667.5655, 1162.7078)(668.5821, 6387.25)(669.5833, 3188.93)(648.5517, 2952.295)(649.54816, 1220.235)(650.567, 2146.83)(651.5697, 548.35)(652.5827, 1274.71) 15 665.5561 665.5561@1.1322609 + 484.32@1.132 1.132 (485.3273, 2779.15) 1 484.32 484.32@1.132 + 280.1654@1.1367115 1.1367115 (561.3376, 1055.0801)(578.36475, 1590.125)(281.1725, 8962.293)(282.17328, 2584.5823)(263.16245, 2770.27)(298.19897, 1684.64)(303.1582, 1887.83) 17 280.1654 280.1654@1.1367115 + 813.5174@1.133 1.133 (814.5247, 1122.87)(815.5266, 342.25)(816.5441, 309.96) 1 813.5174 813.5174@1.133 + 259.1443@1.1313593 1.1313593 (260.15042, 4037.017)(261.1489, 3292.09)(277.17883, 10149.083)(278.17798, 2717.3713) 8 259.1443 259.1443@1.1313593 + Isosafrole + 1.1335262 1.1335262 C10472 Isosafrole [ C10 H10 O2, mfg=78.54, db=78.52, overall=78.53, CAS ID=120-58-1, KEGG ID=C10472, HMP ID=HMDB02333, METLIN ID=58118 ] 120-58-1 (163.07523, 20020.725)(164.07872, 2454.3386)(165.06638, 1209.4575) 33 162.0678 Isosafrole + 1.1335262 HMDB02333 + 350.2448@1.1342353 1.1342353 (351.25217, 68994.61)(352.25378, 21672.379)(373.23352, 2165.4648) 22 350.2448 350.2448@1.1342353 + 649.5612@1.1319792 1.1319792 (650.5697, 3537.7253)(651.56934, 1794.1151)(652.58276, 1514.9727)(632.5636, 2178.095)(633.5659, 927.84) 19 649.5612 649.5612@1.1319792 + 226.1206@1.1348252 1.1348252 (475.2342, 1543.675)(227.12816, 8567.623)(228.13019, 1791.1346)(229.11786, 590.92505)(209.1178, 4600.54)(210.1157, 1002.64)(244.15466, 3416.2588)(245.1502, 2309.63) 13 226.1206 226.1206@1.1348252 + C14 H14 N4 1.133281 [ C14 H14 N4, mfg=86.93, overall=86.93 ] (477.24844, 1083.12)(239.12904, 26862.123)(240.13219, 4761.787)(221.11755, 1422.04)(261.11105, 3414.9126)(262.114, 1384.0468) 29 238.1217 C14 H14 N4 + PGC2 1.1480751 C05955 PGC2 [ C20 H30 O4, mfg=80.35, db=56.49, overall=68.42, CAS ID=49825-91-4, Lipid ID=LMFA03010133, KEGG ID=C05955, METLIN ID=3467 ] 49825-91-4 (669.4298, 1043.21)(686.45337, 1136.76)(691.4108, 608.35)(692.394, 759.81)(335.22025, 23706.064)(336.2219, 7825.7275)(317.21048, 15038.211)(318.21246, 3306.455)(352.24792, 8246.22)(357.2061, 8381.504)(358.21744, 4420.84) 24 334.2122 PGC2 + LMFA03010133 Debneyol 1.1282991 C09653 Debneyol [ C15 H26 O2, mfg=51.51, db=51.04, overall=51.28, CAS ID=99694-82-3, KEGG ID=C09653, METLIN ID=67861 ] 99694-82-3 (477.39096, 3979.1348)(494.4174, 2375.69)(499.3753, 1815.22)(239.19936, 2697.3875)(240.1962, 1296.74)(221.1893, 1513.87)(256.2265, 5183.136)(257.2261, 1509.202)(261.18317, 1776.444) 12 238.1925 Debneyol + C18 H47 N10 O 1.1323551 [ C18 H47 N10 O, mfg=47.47, overall=47.47 ] (861.7747, 985.91)(862.7843, 739.52)(420.40308, 3220.5496)(421.40552, 1228.2925)(422.38605, 1636.025)(442.3824, 1229.75) 23 419.3969 C18 H47 N10 O + 236.1771@1.1321733 1.1321733 (473.36118, 3001.3928)(490.3834, 3013.84)(495.3472, 1423.155)(237.18376, 4144.8164)(238.18312, 1257.0374)(219.1741, 2093.02)(259.1667, 1958.17) 18 236.1771 236.1771@1.1321733 + 304.2031@1.1217937 1.1217937 (305.2098, 4125.8438)(306.20822, 1479.8766)(287.2004, 2881.34) 5 304.2031 304.2031@1.1217937 + C51 H70 Cl N O 1.1311536 [ C51 H70 Cl N O, mfg=65.56, overall=32.78 ] (748.51996, 4117.831)(749.5245, 2332.352)(750.52997, 2173.9185)(730.4996, 1541.56)(731.495, 1462.9)(732.5128, 1651.89)(770.5031, 2296.0913)(771.5078, 1241.9142)(772.5011, 1448.6) 11 747.5146 C51 H70 Cl N O + 390.2749@1.1305395 1.1305395 (391.2839, 10882.759)(392.28787, 4149.0566)(393.2953, 1706.1599)(408.30856, 18044.771)(409.31024, 6064.3477)(410.31705, 3270.4102)(413.262, 2321.2) 11 390.2749 390.2749@1.1305395 + C13 H27 N4 O2 1.1324476 [ C13 H27 N4 O2, mfg=71.20, overall=71.20 ] (272.2217, 7963.7227)(273.22333, 2252.5627)(274.2257, 1036.03)(294.2034, 3119.38) 7 271.2141 C13 H27 N4 O2 + C25 H32 S2 1.1451367 [ C25 H32 S2, mfg=64.18, overall=32.09 ] (397.20084, 13780.864)(398.2087, 4378.07)(399.21185, 2889.1716)(414.2305, 1387.45) 32 396.1936 C25 H32 S2 + 249.1598@1.1340998 1.1340998 (250.16687, 9978.483)(251.1647, 8461.64)(252.1641, 2490.82)(267.1917, 6828.6)(272.151, 2825.65) 3 249.1598 249.1598@1.1340998 + C23 H41 N S 1.132445 [ C23 H41 N S, mfg=62.14, overall=62.14 ] (727.60565, 1453.935)(364.304, 4867.0674)(365.3074, 1899.1136)(381.3292, 3255.63)(386.28708, 8927.436)(387.29507, 3955.2234) 25 363.2972 C23 H41 N S + 184.1099@1.1490891 1.1490891 (386.2525, 11039.68)(391.2115, 14987.8)(185.11763, 6413.895)(186.11714, 1492.0499)(187.109, 1863.42)(167.10634, 11081.082)(168.11377, 1239.38)(202.14362, 7109.667)(203.14343, 2621.537)(204.13754, 2094.205) 11 184.1099 184.1099@1.1490891 + Tridemorph 1.1356211 C11285 Tridemorph [ C19 H39 N O, mfg=85.71, db=85.70, overall=85.70, KEGG ID=C11285, HMP ID=HMDB01334, METLIN ID=6168 ] (617.598, 1176.33)(298.31046, 8487.8955)(299.3132, 1824.4225) 24 297.3032 Tridemorph HMDB01334 + 407.231@1.1276692 1.1276692 (408.23788, 8437.63)(409.2484, 2699.2974)(430.2237, 4884.41)(431.2364, 3017.85) 9 407.231 407.231@1.1276692 + 348.1931@1.1465268 1.1465268 (697.3854, 645.03)(349.1996, 13660.758)(350.20255, 4303.6514)(371.1828, 4990.45) 6 348.1931 348.1931@1.1465268 + 307.2045@1.2184523 1.2184523 (632.437, 1500.96)(637.3905, 1884.0726)(638.3957, 1325.345)(639.3968, 1077.69)(308.20984, 10196.184)(309.20752, 7055.0303)(310.2047, 3965.98)(290.2037, 3707.68)(325.2338, 2133.22)(330.1923, 2345.6833) 23 307.2045 307.2045@1.2184523 + carboprost 1.1337794 carboprost [ C21 H36 O5, mfg=74.20, db=62.31, overall=68.25, CAS ID=, METLIN ID=4035 ] (369.26273, 26441.354)(370.26138, 13324.245)(371.26306, 12673.503)(351.25204, 57939.887)(352.25375, 19473.951)(386.2887, 35072.5)(387.29456, 9459.357)(391.2431, 17550.605)(392.24402, 8821.016) 26 368.2556 carboprost + C22 H43 N O 1.1367015 [ C22 H43 N O, mfg=99.03, overall=99.03 ] (675.67596, 98033.48)(676.6794, 46789.984)(677.68414, 14111.771)(678.6895, 4453.3335)(679.6936, 1741.4325)(697.65533, 1498.5575)(698.6582, 1296.65)(338.3416, 651977.1)(339.34485, 156040.61)(340.3512, 23325.514)(341.3567, 3613.9158)(342.3619, 629.1575) 36 337.3342 C22 H43 N O + 505.2154@1.1631272 1.1631272 (506.22363, 7077.247)(507.22894, 2354.335)(508.23715, 1927.2833)(509.2369, 662.35)(488.2128, 6153.93)(489.2179, 1723.81)(523.2484, 684.36) 10 505.2154 505.2154@1.1631272 + 518.1305@1.117052 1.117052 (519.13586, 2281.982)(520.14044, 1232.415)(521.1375, 1051.35) 5 518.1305 518.1305@1.117052 + C13 H25 N O3 1.1380775 [ C13 H25 N O3, mfg=98.77, overall=98.77 ] (244.19063, 43744.777)(245.1937, 6848.0786)(246.19595, 1467.7479)(226.1801, 86783.414)(227.18358, 16901.361)(261.22, 1869.42)(266.17444, 1935.9479) 35 243.1833 C13 H25 N O3 + 693.5304@1.1380687 1.1380687 (694.5393, 1427.88)(695.5574, 855.79504) 2 693.5304 693.5304@1.1380687 + 557.3901@1.0842706 1.0842706 (558.3985, 14161.641)(559.4012, 7583.68)(560.41095, 6902.415)(540.3864, 3041.1)(541.3961, 1282.57)(580.3757, 2912.6)(581.3931, 1804.78) 5 557.3901 557.3901@1.0842706 + 510.1715@1.138 1.138 (511.1788, 5762.37)(512.1857, 2059.02) 1 510.1715 510.1715@1.138 + 190.1355@1.1432476 1.1432476 (191.14235, 6787.597)(173.13162, 4168.18)(174.13815, 1676.68)(208.16962, 16415.824) 13 190.1355 190.1355@1.1432476 + 4-Heptyloxyphenol 1.137754 C14236 4-Heptyloxyphenol [ C13 H20 O2, mfg=84.92, db=84.88, overall=84.90, CAS ID=13037-86-0, KEGG ID=C14236, METLIN ID=69898 ] 13037-86-0 (417.2939, 2123.95)(209.15332, 8992.593)(210.15422, 2091.1833)(191.1407, 5586.63)(226.18002, 86769.46)(227.18315, 15209.027)(231.13779, 1541.11) 28 208.1462 4-Heptyloxyphenol + 722.6507@1.2214671 1.2214671 (723.65906, 9864.465)(724.6626, 4474.626)(725.669, 2183.1934)(726.6743, 1322.15)(745.6412, 9715.22)(746.6427, 4825.1)(747.6531, 2273.07) 10 722.6507 722.6507@1.2214671 + C13 H25 N O2 1.1418465 [ C13 H25 N O2, mfg=99.12, overall=99.12 ] (228.19563, 53730.055)(229.19893, 8550.273)(230.20074, 1379.0543)(245.2246, 1397.745)(250.17526, 2998.438) 34 227.1884 C13 H25 N O2 + 419.288@1.1428176 1.1428176 (420.29526, 9573.187)(421.2975, 3704.4949)(402.2833, 14881.5)(437.3241, 2341.57) 13 419.288 419.288@1.1428176 + C33 H47 1.1396722 [ C33 H47, mfg=66.14, overall=66.14 ] (444.3764, 5531.298)(445.37546, 2322.18) 29 443.3706 C33 H47 + Dinor-PGD2 1.1428493 Dinor-PGD2 [ C18 H28 O5, mfg=62.90, db=62.89, overall=62.89, Lipid ID=LMFA03010214, METLIN ID=74979 ] (649.3997, 764.21)(666.4271, 979.42)(671.383, 670.13)(325.20245, 17222.064)(326.20358, 5700.9526)(327.1977, 2362.05)(307.1899, 9494.36)(308.2022, 4268.08)(342.22717, 5924.9155)(343.2233, 5486.24)(347.18393, 7348.1973)(348.1892, 3261.7375)(349.1675, 3998.63) 28 324.1947 Dinor-PGD2 + LMFA03010214 366.2403@1.1425582 1.1425582 (733.497, 758.37)(755.4727, 976.19495)(367.2476, 21103.398)(368.24716, 10551.422) 22 366.2403 366.2403@1.1425582 + C42 H83 N S3 1.1416994 [ C42 H83 N S3, mfg=93.24, overall=93.24 ] (698.5742, 8940.973)(699.578, 4057.701)(700.57306, 2417.72)(701.5856, 841.145) 36 697.5675 C42 H83 N S3 + 311.318@1.1311879 1.1311879 (645.6251, 1173.76)(312.32535, 5501.077)(313.32812, 1551.1113) 14 311.318 311.318@1.1311879 + 180.1512@1.1272368 1.1272368 (383.2855, 1838.61)(181.15826, 3169.3992)(182.15831, 961.27625)(163.14761, 4883.275)(164.14885, 707.57)(198.1851, 13276.134)(199.19066, 3753.4495)(203.14238, 1778.165) 18 180.1512 180.1512@1.1272368 + 670.636@1.1403122 1.1403122 (671.6433, 6843.865)(672.64014, 3852.3599)(673.6597, 27109.066)(674.663, 12715.13) 2 670.636 670.636@1.1403122 + 472.125@1.1389505 1.1389505 (473.13327, 2596.4617)(474.13583, 1235.85)(475.13757, 1147.09) 6 472.125 472.125@1.1389505 + N1-Acetylspermidine 1.1397169 C00612 N1-Acetylspermidine [ C9 H21 N3 O, mfg=45.09, db=68.91, overall=57.00, CAS ID=14278-49-0, KEGG ID=C00612, HMP ID=HMDB01276, METLIN ID=3323 ] 14278-49-0 (392.37173, 4415.7563)(393.37366, 1409.4408) 26 391.3652 N1-Acetylspermidine HMDB01276 + 166.0989@1.1340485 1.1340485 (333.2057, 3507.72)(350.2309, 3086.79)(355.1902, 5457.115)(167.10643, 10530.104)(168.10974, 2109.585)(149.09546, 5761.215)(150.09451, 1140.525) 5 166.0989 166.0989@1.1340485 + 433.3011@1.1449124 1.1449124 (434.3082, 7570.852)(435.30786, 3650.3367)(436.2944, 3389.8132)(456.29248, 1455.4135) 12 433.3011 433.3011@1.1449124 + 377.3484@1.1439915 1.1439915 (378.356, 6044.5396)(379.3589, 1584.284)(380.35138, 21002.893) 22 377.3484 377.3484@1.1439915 + 406.233@1.1415828 1.1415828 (407.23947, 6595.367)(408.24225, 8613.92)(429.2267, 3107.02) 8 406.233 406.233@1.1415828 + Militarinone A 1.1528153 C12333 Militarinone A [ C26 H37 N O6, mfg=76.46, db=76.42, overall=76.44, KEGG ID=C12333, METLIN ID=69433 ] (460.27084, 13656.479)(461.27545, 4943.473)(462.2772, 2070.5886) 29 459.2623 Militarinone A + 214.1571@1.1428143 1.1428143 (446.3443, 2952.27)(451.30685, 2814.795)(215.16449, 5231.189)(216.16292, 2588.865)(217.15941, 2055.46)(197.1537, 9621.63)(198.1538, 2173.13)(232.19049, 3460.4788)(233.1897, 3185.37)(237.1481, 3318.42) 12 214.1571 214.1571@1.1428143 + 818.2168@1.143 1.143 (819.2241, 958.04)(820.2225, 585.81) 1 818.2168 818.2168@1.143 + 595.1616@1.143 1.143 (596.1689, 1034.16)(597.1711, 575.65) 1 595.1616 595.1616@1.143 + C12 H26 O3 1.1424772 [ C12 H26 O3, mfg=90.04, overall=90.04 ] (219.19554, 31094.68)(220.1991, 4349.9487)(221.1928, 1373.0745)(236.22186, 18730.844)(237.2244, 3201.7324)(238.2187, 1487.793)(241.17949, 9236.0205)(242.18071, 2132.924) 36 218.1883 C12 H26 O3 + 821.4958@1.1397042 1.1397042 (822.5114, 2078.999)(823.5225, 1261.4756)(824.51855, 897.4766)(804.4938, 1679.15)(805.5031, 934.18)(806.5111, 1458.81) 9 821.4958 821.4958@1.1397042 + 94.0418@1.143 1.143 (95.0491, 4185.08)(77.0385, 8252.68)(78.0417, 1509.35) 1 94.0418 94.0418@1.143 + C18 H40 N3 O3 1.1407908 [ C18 H40 N3 O3, mfg=81.82, overall=81.82 ] (715.6, 829.09)(347.31488, 6559.594)(364.34198, 25617.367)(365.3451, 6382.2935)(366.3344, 2197.662) 35 346.308 C18 H40 N3 O3 + C22 H52 Cl N9 1.1428208 [ C22 H52 Cl N9, mfg=70.05, overall=70.05 ] (478.40878, 5879.641)(479.412, 2210.5657)(480.4165, 1866.7001)(460.39838, 8308.6455)(461.40082, 4017.52)(462.4116, 906.57)(500.39172, 2245.9248)(501.3984, 1459.29) 33 477.4028 C22 H52 Cl N9 + C18 H31 N5 O3 1.1436117 [ C18 H31 N5 O3, mfg=47.56, overall=47.56 ] (731.48773, 1172.7133)(748.5212, 1191.12)(749.5234, 1125.76)(753.4736, 1133.8916)(366.24817, 22075.164)(367.2483, 12676.32)(368.24417, 5308.886)(383.27637, 1965.1533) 35 365.2413 C18 H31 N5 O3 + 455.2154@1.1995047 1.1995047 (456.2231, 3516.0383)(457.23575, 2070.7642) 6 455.2154 455.2154@1.1995047 + C42 H72 Cl N3 O 1.148583 [ C42 H72 Cl N3 O, mfg=71.96, overall=71.96 ] (670.54285, 7030.4077)(671.54474, 3338.0813)(672.54004, 4742.4575)(673.5443, 2247.82)(674.56433, 1985.825) 37 669.5356 C42 H72 Cl N3 O + Quinolin-2-ol 1.1438377 C06338 Quinolin-2-ol [ C9 H7 N O, mfg=90.84, db=90.83, overall=90.83, CAS ID=70254-42-1, KEGG ID=C06338, METLIN ID=66376 ] 70254-42-1 (291.1172, 943.45)(146.05988, 55658.766)(147.06494, 7254.1113)(148.07027, 965.1786) 36 145.0526 Quinolin-2-ol + Tutin 1.1476514 C09570 Tutin [ C15 H18 O6, mfg=79.97, db=79.87, overall=79.92, CAS ID=2571-22-4, KEGG ID=C09570, METLIN ID=67812 ] 2571-22-4 (295.11752, 9790.734)(296.1219, 2044.0131)(277.104, 2215.9302)(312.1471, 790.53) 33 294.11 Tutin + C22 H49 N4 S2 1.1458447 [ C22 H49 N4 S2, mfg=83.76, overall=83.76 ] (434.34665, 15281.737)(435.3497, 5192.8813)(436.34818, 3252.522)(456.33, 4232.3) 35 433.3396 C22 H49 N4 S2 + 527.3462@1.1352282 1.1352282 (528.3512, 3628.1326)(529.3504, 1908.4601) 4 527.3462 527.3462@1.1352282 + C22 H37 N8 O2 1.1527333 [ C22 H37 N8 O2, mfg=56.67, overall=56.67 ] (446.31183, 6296.582)(447.3106, 2685.8533)(463.3394, 2498.63)(468.289, 1468.17) 33 445.3044 C22 H37 N8 O2 + Stearamide 1.1336201 C13846 Stearamide [ C18 H37 N O, mfg=49.39, db=49.30, overall=49.35, CAS ID=124-26-5, Lipid ID=LMFA08010003, KEGG ID=C13846, METLIN ID=34494 ] 124-26-5 (284.29428, 7895.554)(285.2922, 2504.1677) 22 283.2871 Stearamide + LMFA08010003 323.3182@1.1426319 1.1426319 (647.6437, 6212.3013)(648.6371, 5729.6)(649.6427, 2926.68)(669.6246, 760.04)(324.3252, 1531.3398)(325.3236, 783.33) 8 323.3182 323.3182@1.1426319 + C17 H38 Cl N6 1.1459385 [ C17 H38 Cl N6, mfg=67.93, overall=67.93 ] (723.5715, 568.39)(362.28973, 9398.92)(363.29663, 2822.7031)(364.28665, 3857.04) 30 361.2823 C17 H38 Cl N6 + 412.1871@1.1859615 1.1859615 (413.19507, 4678.752)(414.20746, 2343.78)(395.189, 2052.0) 5 412.1871 412.1871@1.1859615 + C18 H37 N O4 1.1500663 [ C18 H37 N O4, mfg=95.18, overall=95.18 ] (663.5511, 851.06)(332.27942, 4422674.5)(333.28445, 915097.0)(334.28958, 143289.66)(335.2947, 47855.387) 37 331.2723 C18 H37 N O4 + C14 H24 O3 1.1436012 [ C14 H24 O3, mfg=58.53, overall=58.53 ] (481.35382, 2325.204)(498.3786, 2699.46)(499.3727, 1721.4)(503.33273, 2935.8025)(241.17986, 8251.87)(242.17967, 2178.6426)(258.2055, 1570.9478)(259.2055, 1342.43)(263.16238, 2482.4343) 26 240.1725 C14 H24 O3 + C11 H18 1.1555248 [ C11 H18, mfg=85.73, overall=85.73 ] (301.2901, 688.72)(151.1478, 12659.648)(152.15099, 1790.6747)(173.1315, 4479.025)(174.1377, 1240.97) 32 150.1405 C11 H18 + C4 H8 1.121272 [ C4 H8, mfg=47.61, overall=47.61 ] (113.13252, 3455.56)(57.06952, 4531.6436)(79.053825, 1454.445) 22 56.0626 C4 H8 + 216.1009@1.1487509 1.1487509 (450.234, 5853.82)(451.2434, 2861.24)(455.1868, 1155.47)(217.1078, 12549.286)(218.11383, 2573.3066)(234.13655, 5623.815) 3 216.1009 216.1009@1.1487509 + C6 H10 1.1587737 [ C6 H10, mfg=86.12, overall=86.12 ] (165.163, 1731.582)(166.1598, 1820.2)(187.1474, 1101.7799)(83.08529, 20828.783)(84.0889, 1793.6241)(105.0695, 12496.364)(106.07337, 1660.01) 31 82.078 C6 H10 + 4-Vinylcyclohexene 1.1518548 C19310 4-Vinylcyclohexene [ C8 H12, mfg=87.31, db=87.31, overall=87.31, CAS ID=100-40-3, KEGG ID=C19310, METLIN ID=73021 ] 100-40-3 (217.19496, 802.37335)(234.2192, 776.73)(109.10103, 35843.082)(110.104126, 3462.1958) 33 108.0937 4-Vinylcyclohexene + Vernolic acid + 1.1473087 1.1473087 C08368 Vernolic acid [ C18 H32 O3, mfg=99.69, db=99.69, overall=99.69, CAS ID=503-07-1, Lipid ID=LMFA01070017, KEGG ID=C08368, METLIN ID=3424 ] 503-07-1 (297.2424, 613919.0)(298.24557, 118461.57)(299.24976, 16403.316)(300.25345, 2740.4558)(314.26907, 3238.893) 36 296.2352 Vernolic acid + 1.1473087 + LMFA01070017 335.3139@1.1488714 1.1488714 (671.6436, 5085.49)(672.6455, 3157.5)(336.31775, 102310.086)(337.32144, 24192.121) 16 335.3139 335.3139@1.1488714 + C37 H69 N11 1.1470217 [ C37 H69 N11, mfg=67.20, overall=67.20 ] (668.58203, 4866.8276)(669.58417, 2514.2878)(690.56104, 1969.739)(691.56476, 1142.8733)(692.5742, 804.13) 27 667.5742 C37 H69 N11 + 288.0403@1.1464332 1.1464332 (289.04794, 1561.63) 4 288.0403 288.0403@1.1464332 + C14 H22 1.1487439 [ C14 H22, mfg=98.99, overall=98.99 ] (381.3545, 6826.92)(403.3375, 1061.49)(191.1795, 2300472.8)(192.18301, 320982.44)(193.19058, 28288.291)(194.197, 2797.8381)(195.1991, 300.52)(208.2054, 5012.1284) 37 190.1722 C14 H22 + Eplerenone 1.1493633 C12512 Eplerenone [ C24 H30 O6, mfg=99.69, db=99.68, overall=99.68, CAS ID=107724-20-9, KEGG ID=C12512, METLIN ID=69451 ] 107724-20-9 (829.4164, 864.955)(830.4204, 794.62)(831.4284, 841.33)(851.39813, 2986.7065)(852.4018, 2057.407)(853.41266, 1284.5074)(415.21106, 1502988.1)(416.21494, 409545.62)(417.21783, 72912.664)(418.225, 9913.679)(419.23453, 1469.1934)(432.23773, 1580874.6)(433.24133, 435339.44)(434.24402, 75456.72)(435.24652, 11999.384)(436.25296, 1900.6979)(437.19318, 72033.84)(438.19696, 20336.465)(439.2025, 4117.916) 36 414.2039 Eplerenone + C14 H24 O 1.1531737 [ C14 H24 O, mfg=99.57, overall=99.57 ] (417.37442, 2739.7043)(209.18999, 168228.33)(210.19301, 25723.154)(211.19656, 3122.0664)(226.21454, 1942.615)(231.1735, 1626.23) 35 208.1827 C14 H24 O + C20 H39 N O 1.1463925 [ C20 H39 N O, mfg=73.35, overall=73.35 ] (619.6114, 2072.6118)(620.61536, 2370.395)(310.3099, 15307.96)(311.31207, 4509.2017) 36 309.3026 C20 H39 N O + Hymenoflorin 1.1493529 C09480 Hymenoflorin [ C15 H20 O5, mfg=82.46, db=82.46, overall=82.46, CAS ID=51292-63-8, KEGG ID=C09480, METLIN ID=67734 ] 51292-63-8 (281.13828, 46030.25)(282.1426, 8435.311)(283.1524, 3286.66)(263.12778, 2713.8567)(264.129, 540.33)(298.1619, 1868.5) 35 280.131 Hymenoflorin + C27 H32 S3 1.147846 [ C27 H32 S3, mfg=83.63, overall=83.63 ] (453.17227, 4027.3218)(454.1776, 1316.7311)(455.1766, 785.16) 20 452.165 C27 H32 S3 + C30 H53 N S 1.14751 [ C30 H53 N S, mfg=76.07, overall=76.07 ] (460.39865, 8362.241)(461.39938, 3167.1682)(462.40604, 1382.2388)(442.3879, 632.26) 27 459.3917 C30 H53 N S + alpha-Methylstyrene 1.150304 C14395 alpha-Methylstyrene [ C9 H10, mfg=77.48, db=77.48, overall=77.48, CAS ID=98-83-9, KEGG ID=C14395, METLIN ID=70026 ] 98-83-9 (119.08538, 54643.42)(120.09058, 7541.6274) 36 118.0781 alpha-Methylstyrene + Cinnamyl alcohol 1.1496845 C02394 Cinnamyl alcohol [ C9 H10 O, mfg=86.77, db=86.75, overall=86.76, CAS ID=104-54-1, KEGG ID=C02394, METLIN ID=65764 ] 104-54-1 (135.08011, 24542.707)(136.08302, 2856.6096)(137.0719, 629.82) 35 134.0729 Cinnamyl alcohol + 92.0623@1.1501691 1.1501691 (93.06962, 14738.379)(94.07156, 1356.852) 18 92.0623 92.0623@1.1501691 + C7 H10 1.1481885 [ C7 H10, mfg=87.41, overall=87.41 ] (189.16219, 2056.9834)(190.1631, 810.97)(95.085434, 29545.291)(96.088776, 2638.9734)(117.0676, 1114.53) 29 94.0781 C7 H10 + C7 H12 1.1577513 [ C7 H12, mfg=61.11, overall=61.11 ] (193.1919, 1572.01)(97.10094, 4569.507)(98.103035, 871.6686) 20 96.0937 C7 H12 + (±)9,10-DiHOME 1.1475863 C14828 (±)9,10-DiHOME [ C18 H34 O4, mfg=81.14, db=81.13, overall=81.13, CAS ID=263399-34-4, Lipid ID=LMFA01050350, KEGG ID=C14828, METLIN ID=35697 ] 263399-34-4 (629.5001, 1175.135)(630.4867, 898.65)(646.5314, 2715.72)(647.5397, 1203.84)(651.4844, 961.26)(315.2528, 25606.291)(316.255, 6556.9556)(317.2642, 3016.71)(337.23465, 60477.2)(338.23834, 14189.627)(339.24622, 5818.3164) 36 314.2455 (±)9,10-DiHOME + LMFA01050350 187.1205@1.15 1.15 (188.1278, 5386.71)(189.1271, 658.75) 1 187.1205 187.1205@1.15 + 240.1371@1.1584543 1.1584543 (241.14345, 8442.911)(242.14401, 1576.0988)(243.1331, 1687.53)(223.1331, 6762.4)(224.1358, 1153.92)(258.17017, 4435.8228)(259.1686, 1538.89)(263.12744, 4547.96)(264.12732, 1202.905) 9 240.1371 240.1371@1.1584543 + Limonene-1,2-epoxide 1.1485678 C07271 Limonene-1,2-epoxide [ C10 H16 O, mfg=98.79, db=98.79, overall=98.79, CAS ID=1195-92-2, KEGG ID=C07271, METLIN ID=41092 ] 1195-92-2 (305.2449, 2002.93)(153.12704, 62227.562)(154.13022, 8071.7383)(155.13661, 1214.9136)(135.11662, 544470.3)(136.12013, 60290.867)(137.13065, 6874.7993)(138.13364, 654.06287)(170.15381, 2191.299) 36 152.1197 Limonene-1,2-epoxide + 443.2884@1.1462168 1.1462168 (444.29443, 5623.2524)(445.2957, 2589.447)(446.2753, 18276.22)(447.2768, 5312.23)(461.324, 2264.17)(466.272, 1073.24) 17 443.2884 443.2884@1.1462168 + 1,2,3-Trimethylbenzene 1.1510674 C14518 1,2,3-Trimethylbenzene [ C9 H12, mfg=85.66, db=85.65, overall=85.66, CAS ID=526-73-8, KEGG ID=C14518, METLIN ID=70120 ] 526-73-8 (121.101036, 99030.52)(122.10349, 9590.617) 37 120.0937 1,2,3-Trimethylbenzene + C11 H26 N3 O2 1.1502278 [ C11 H26 N3 O2, mfg=47.60, overall=47.60 ] (233.21098, 11722.308)(234.21497, 2187.0247)(235.20528, 4338.2666)(250.23735, 5566.352)(251.23924, 1610.0262)(252.2306, 969.62)(255.1918, 1871.05) 21 232.2036 C11 H26 N3 O2 + 723.5233@1.119367 1.119367 (724.52747, 2671.23)(725.52814, 1539.01)(726.538, 1948.7349)(746.50793, 1400.475)(747.5081, 1182.8) 7 723.5233 723.5233@1.119367 + Ectocarpen 1.1514455 C16993 Ectocarpen [ C11 H16, mfg=87.48, db=87.48, overall=87.48, CAS ID=33156-93-3, KEGG ID=C16993, METLIN ID=71487 ] 33156-93-3 (149.13234, 96848.69)(150.13542, 11822.615) 37 148.125 Ectocarpen + C22 H41 N2 O 1.1527424 [ C22 H41 N2 O, mfg=41.69, overall=41.69 ] (350.32614, 518966.9)(351.32922, 114363.76)(352.32352, 261702.52)(353.32556, 89401.31)(354.3358, 100733.12)(355.3394, 25373.84)(372.3126, 2053.84) 37 349.3191 C22 H41 N2 O + 406.2715@1.2269514 1.2269514 (813.5729, 911.59)(835.5331, 2543.83)(836.5387, 1467.35)(407.28326, 4625.8623)(389.2695, 11907.49)(424.3027, 4510.73)(429.2605, 5596.57)(430.2694, 3118.19) 4 406.2715 406.2715@1.2269514 + C23 H53 N4 S2 1.1474421 [ C23 H53 N4 S2, mfg=72.73, overall=72.73 ] (450.3768, 8399.945)(451.38028, 2857.6804)(452.38745, 2087.4773)(472.3607, 3668.14) 34 449.3709 C23 H53 N4 S2 + C41 H75 N S2 1.1528575 [ C41 H75 N S2, mfg=87.19, overall=87.19 ] (646.5392, 10398.342)(647.5424, 4802.5605)(648.5501, 2509.3628)(649.5543, 454.27)(663.5659, 731.14) 33 645.5322 C41 H75 N S2 + C9 H14 1.1468995 [ C9 H14, mfg=81.03, overall=81.03 ] (245.22615, 1469.4451)(123.11643, 11372.8125)(124.11924, 1571.7843) 30 122.1091 C9 H14 + C38 H72 N2 O2 S5 1.1495547 [ C38 H72 N2 O2 S5, mfg=63.52, overall=31.76 ] (749.42456, 3111.3904)(750.42975, 1724.3381)(751.4386, 1446.3685) 18 748.4167 C38 H72 N2 O2 S5 + 538.1574@1.1059619 1.1059619 (539.1646, 106032.055)(540.1626, 41465.88)(541.1628, 17187.568)(542.16113, 6597.68)(543.1612, 1883.3966) 9 538.1574 538.1574@1.1059619 + C26 H36 N2 O6 1.1506686 [ C26 H36 N2 O6, mfg=96.14, overall=96.14 ] (473.26422, 51980.77)(474.2673, 17074.82)(475.27026, 4557.315) 36 472.2568 C26 H36 N2 O6 + 535.1582@1.1458613 1.1458613 (536.16504, 169104.78)(537.1659, 87761.39)(538.16376, 78371.71)(539.1637, 1539.87) 4 535.1582 535.1582@1.1458613 + 104.0622@1.1585077 1.1585077 (105.06944, 11965.021)(106.07371, 1567.0731) 20 104.0622 104.0622@1.1585077 + C7 H6 1.1588342 [ C7 H6, mfg=82.23, overall=82.23 ] (91.05398, 15127.789)(92.0582, 1660.4049) 19 90.0467 C7 H6 + 281.2715@1.1757984 1.1757984 (282.2779, 11787.687)(283.27945, 4535.3286) 9 281.2715 281.2715@1.1757984 + 241.2044@1.1575167 1.1575167 (242.21124, 8240.498)(243.21185, 2192.1855)(224.2012, 1188.575) 11 241.2044 241.2044@1.1575167 + 557.4555@1.1370513 1.1370513 (558.46936, 2905.766)(559.4731, 1298.0566)(560.45996, 2482.3599)(540.4512, 1863.46)(580.4514, 1830.13) 10 557.4555 557.4555@1.1370513 + MG(0:0/18:1(9Z)/0:0) 1.1561633 MG(0:0/18:1(9Z)/0:0) [ C21 H40 O4, mfg=52.79, db=52.63, overall=52.71, CAS ID=3443-84-3, Lipid ID=LMGL01010024, HMP ID=HMDB11537, METLIN ID=62321 ] 3443-84-3 (357.2988, 21600.428)(358.2997, 7875.4883)(339.2881, 5272.5254)(340.28714, 1995.5482) 33 356.2918 MG(0:0/18:1(9Z)/0:0) HMDB11537 + LMGL01010024 C35 H36 N O2 S 1.154154 [ C35 H36 N O2 S, mfg=83.70, overall=83.70 ] (535.2549, 8715.839)(536.2587, 3882.7576)(537.26227, 1470.142)(552.2843, 651.37) 35 534.2475 C35 H36 N O2 S + 817.4247@1.158 1.158 (818.432, 2045.52)(819.4315, 968.62) 1 817.4247 817.4247@1.158 + 334.2871@1.1292284 1.1292284 (669.5797, 916.67)(335.2944, 13559.721)(336.3036, 354.78)(352.3206, 1997183.8)(353.3243, 481994.06) 18 334.2871 334.2871@1.1292284 + C21 H36 N O 1.1596551 [ C21 H36 N O, mfg=99.27, overall=99.27 ] (319.28455, 34783.59)(320.28717, 8454.517)(321.2852, 1890.2522)(341.2689, 536771.9)(342.2718, 121304.0)(343.2747, 18646.03)(344.2766, 3410.09) 36 318.2772 C21 H36 N O + 397.3167@1.169656 1.169656 (817.6216, 2444.71)(398.32248, 5916.401)(399.3196, 3514.83) 32 397.3167 397.3167@1.169656 + C13 H25 N O 1.1599779 [ C13 H25 N O, mfg=84.98, overall=84.98 ] (212.20062, 9258.93)(213.20366, 1607.0829)(234.1795, 742.06) 34 211.1933 C13 H25 N O + 457.2285@1.1773108 1.1773108 (458.23672, 13481.735)(459.23904, 5339.63) 12 457.2285 457.2285@1.1773108 + C22 H43 N O2 1.1708912 [ C22 H43 N O2, mfg=96.84, overall=96.84 ] (707.66406, 1499.9241)(708.6696, 1020.0)(729.6465, 1309.06)(730.6468, 901.79)(354.33566, 157095.86)(355.3393, 38131.855)(356.34537, 6337.727)(357.35382, 1078.385)(336.32535, 10045.064)(337.32642, 3564.21) 36 353.3285 C22 H43 N O2 + 191.1312@1.1609367 1.1609367 (383.2644, 2652.42)(192.13837, 11377.391)(193.14337, 3833.2214)(194.1459, 1280.17) 19 191.1312 191.1312@1.1609367 + 421.2804@1.2117374 1.2117374 (422.28458, 5085.911)(423.28183, 2777.959)(424.2955, 5078.0376)(404.27646, 4762.783)(405.27014, 2481.675)(439.31186, 2053.045) 15 421.2804 421.2804@1.2117374 + 787.4995@1.1602032 1.1602032 (788.50604, 5446.7207)(789.50916, 3238.303)(790.5192, 2283.5159)(791.5269, 935.01666)(770.495, 1286.88)(771.4873, 968.29)(772.5039, 1771.08)(810.4918, 1368.675)(811.5005, 1238.91) 19 787.4995 787.4995@1.1602032 + 323.1969@1.1752473 1.1752473 (324.20477, 4169.862)(325.20184, 868.12)(326.1968, 1160.98)(346.189, 2359.2) 5 323.1969 323.1969@1.1752473 + 279.256@1.1783504 1.1783504 (280.26273, 9028.347)(281.26434, 2401.11)(282.2738, 1153.94) 5 279.256 279.256@1.1783504 + 178.0562@1.1622175 1.1622175 (179.06377, 24966.246)(180.06845, 3594.021)(181.06085, 2906.2566) 18 178.0562 178.0562@1.1622175 + 653.3248@1.1635475 1.1635475 (654.3319, 7611.382)(655.336, 2999.411)(656.3412, 1111.48)(671.36084, 1004.12) 10 653.3248 653.3248@1.1635475 + 293.219@1.16424 1.16424 (294.2249, 8680.337)(316.2121, 2230.37) 12 293.219 293.219@1.16424 + C22 H22 N6 O 1.1643859 [ C22 H22 N6 O, mfg=91.71, overall=91.71 ] (387.19275, 87883.18)(388.1967, 20637.941)(389.19754, 6586.5654)(390.21066, 1086.53)(404.21942, 11094.414)(405.2226, 3805.296)(406.22623, 2724.4973)(409.17606, 6180.237)(410.1816, 1825.3811)(411.18628, 1563.495) 36 386.1856 C22 H22 N6 O + C21 H33 N8 O2 1.1672728 [ C21 H33 N8 O2, mfg=81.55, overall=81.55 ] (430.27975, 33797.2)(431.28278, 9869.694)(412.27283, 3703.115)(413.2768, 2175.35) 33 429.2724 C21 H33 N8 O2 + C22 H33 N3 O18 1.1643872 [ C22 H33 N3 O18, mfg=98.06, overall=98.06 ] (628.1836, 22349.584)(629.187, 6120.833)(630.1901, 1830.2344) 37 627.1763 C22 H33 N3 O18 + C22 H41 N O3 1.1657375 [ C22 H41 N O3, mfg=83.63, overall=83.63 ] (757.6062, 1791.47)(758.6021, 1147.23)(759.6172, 1228.97)(368.31543, 77075.58)(369.31873, 19051.617)(385.3443, 5008.9927)(386.34595, 2956.537)(390.2988, 8629.83) 37 367.3081 C22 H41 N O3 + 9-dodecynoic acid 1.1462369 9-dodecynoic acid [ C12 H20 O2, mfg=47.54, db=45.58, overall=46.56, METLIN ID=35126 ] (393.3026, 2684.33)(410.32666, 3273.524)(197.1532, 5800.2183)(198.15192, 1607.6421)(179.142, 2196.71)(214.18, 5239.6963)(215.18184, 1774.8634)(219.13763, 1948.5502) 25 196.146 9-dodecynoic acid + C17 H36 O4 1.1703517 [ C17 H36 O4, mfg=77.19, overall=77.19 ] (305.26782, 6903.371)(306.2724, 2540.3198)(307.25375, 5365.55)(322.29477, 13008.262)(323.29767, 3307.4648) 35 304.2609 C17 H36 O4 + 255.256@1.1584002 1.1584002 (256.26324, 8503.042)(257.2662, 1774.4388)(278.2472, 4058.41) 21 255.256 255.256@1.1584002 + C22 H41 N O2 1.1690323 [ C22 H41 N O2, mfg=84.47, overall=84.47 ] (703.6289, 837.41)(725.61615, 6787.7197)(726.6193, 4165.438)(727.6287, 3010.5625)(728.6337, 6661.35)(352.3207, 1036524.8)(353.32413, 256275.11)(374.30197, 64133.66)(375.30432, 21060.268) 32 351.3135 C22 H41 N O2 + C24 H47 N3 O2 1.1678421 [ C24 H47 N3 O2, mfg=67.89, overall=67.89 ] (410.37314, 25128.654)(411.37634, 6914.612)(412.3861, 4679.25) 21 409.366 C24 H47 N3 O2 + C27 H51 N8 O 1.171899 [ C27 H51 N8 O, mfg=67.09, overall=67.09 ] (504.4258, 4212.809)(505.42804, 1912.0638)(486.4155, 884.44)(526.4034, 1699.29) 23 503.4184 C27 H51 N8 O + C9 H19 N O 1.168131 [ C9 H19 N O, mfg=86.66, overall=86.66 ] (158.15378, 39756.25)(159.15695, 4822.7417) 35 157.1465 C9 H19 N O + C39 H81 N7 S2 1.1706415 [ C39 H81 N7 S2, mfg=87.17, overall=87.17 ] (712.6077, 6250.8813)(713.61096, 3369.4585)(714.6036, 1825.0353)(715.5982, 468.39)(729.6337, 1480.95)(730.6437, 1024.97)(734.5892, 1230.448)(735.5925, 954.28) 34 711.601 C39 H81 N7 S2 + C27 H43 N S 1.1722575 [ C27 H43 N S, mfg=71.05, overall=71.05 ] (414.32077, 18826.52)(415.3207, 8881.985)(416.32175, 3493.4)(436.3011, 1782.38) 34 413.3134 C27 H43 N S + C14 H33 Cl N5 1.1861489 [ C14 H33 Cl N5, mfg=47.53, overall=47.53 ] (630.5134, 1241.68)(307.24884, 9625.37)(308.24518, 5698.6865)(309.23996, 2792.955)(329.23184, 2473.32) 28 306.241 C14 H33 Cl N5 + 148.0522@1.1365335 1.1365335 (149.05962, 11223.346)(150.06204, 1757.7399) 8 148.0522 148.0522@1.1365335 + 409.2467@1.202013 1.202013 (410.25552, 15898.828)(411.26242, 4324.8516) 7 409.2467 409.2467@1.202013 + Oleoyl Ethanolamide 1.1765511 Oleoyl Ethanolamide [ C20 H39 N O2, mfg=82.95, db=82.95, overall=82.95, CAS ID=111-58-0, METLIN ID=24103 ] 111-58-0 (326.3046, 13846.066)(327.30743, 3381.939)(328.3132, 1495.3301) 23 325.297 Oleoyl Ethanolamide + 128.0851@1.1555468 1.1555468 (279.1579, 2324.55)(129.09184, 1847.6951)(151.0758, 2816.125) 4 128.0851 128.0851@1.1555468 + C5 H10 N7 1.1735455 [ C5 H10 N7, mfg=90.00, overall=90.00 ] (169.10709, 87814.36)(170.1117, 6264.9165)(171.10791, 2389.0999) 37 168.0998 C5 H10 N7 + Hydnocarpic acid 1.1733196 C16795 Hydnocarpic acid [ C16 H28 O2, mfg=99.56, db=99.56, overall=99.56, CAS ID=459-67-6, KEGG ID=C16795, METLIN ID=71347 ] 459-67-6 (505.4298, 1284.02)(253.21613, 182132.38)(254.2195, 34487.523)(255.22292, 4482.277)(256.2263, 769.47)(270.24167, 1324.2533)(275.2011, 1190.55) 35 252.2089 Hydnocarpic acid + C17 H30 N4 1.1767203 [ C17 H30 N4, mfg=84.87, overall=84.87 ] (603.4809, 839.87)(291.25278, 13037.696)(292.2562, 2978.294)(293.25125, 1111.4299)(308.28098, 24817.889)(309.2844, 5283.697)(310.2724, 1497.6) 35 290.2463 C17 H30 N4 + 126.1041@1.1587281 1.1587281 (127.11152, 3947.4983)(128.1089, 1752.39)(149.09546, 6427.755)(150.0965, 1121.85) 6 126.1041 126.1041@1.1587281 + 463.4227@1.1705006 1.1705006 (464.42987, 4075.6382)(465.43317, 1677.49)(486.4148, 959.0) 20 463.4227 463.4227@1.1705006 + 489.2208@1.2453767 1.2453767 (490.22946, 3993.7617)(491.23447, 1825.4226)(492.2432, 1011.71497)(472.2177, 3786.88)(473.2205, 2475.99) 6 489.2208 489.2208@1.2453767 + C25 H49 N O3 S2 1.1788546 [ C25 H49 N O3 S2, mfg=73.28, overall=73.28 ] (476.32172, 14514.05)(477.32343, 4996.615)(478.3255, 3999.6228)(493.347, 1459.74)(498.3036, 1552.5801) 34 475.3142 C25 H49 N O3 S2 + 480.2707@1.1798166 1.1798166 (481.27905, 3284.157)(482.2811, 1594.8633) 6 480.2707 480.2707@1.1798166 + 220.1318@1.1785645 1.1785645 (221.14044, 16335.68)(222.1426, 3115.61)(203.1284, 1788.8)(238.1648, 13048.08) 2 220.1318 220.1318@1.1785645 + 116.0836@1.179055 1.179055 (233.1743, 11193.995)(250.202, 3218.98)(117.09085, 2373.025)(134.115, 2584.76) 2 116.0836 116.0836@1.179055 + 355.3412@1.1813363 1.1813363 (356.34848, 5802.2095)(357.35333, 1654.6051) 14 355.3412 355.3412@1.1813363 + 210.0878@1.1768993 1.1768993 (211.09518, 11863.959)(212.09892, 2057.7642)(213.08675, 1093.97)(233.0791, 5519.86)(234.08405, 1528.755) 5 210.0878 210.0878@1.1768993 + 428.3495@1.1697543 1.1697543 (429.3478, 3107.3528)(411.3455, 7911.81)(412.3482, 3020.13)(451.3376, 2910.48) 7 428.3495 428.3495@1.1697543 + 284.1973@1.1801854 1.1801854 (591.3855, 1160.66)(285.2048, 4553.6187) 9 284.1973 284.1973@1.1801854 + C20 H38 O5 1.1815695 [ C20 H38 O5, mfg=99.81, overall=99.81 ] (717.5532, 1101.62)(734.5825, 896.94)(739.5256, 873.26)(359.27908, 31724.783)(360.28152, 8963.054)(361.2825, 2670.302)(341.2686, 455496.6)(342.2718, 103810.73)(343.27432, 15090.808)(344.27634, 3201.4973)(381.2608, 141330.23)(382.26453, 35789.094)(383.26428, 6816.787)(384.26624, 1906.715) 37 358.272 C20 H38 O5 + 119.0846@1.1802067 1.1802067 (120.09198, 3841.8647) 4 119.0846 119.0846@1.1802067 + C20 H41 N O5 1.1817857 [ C20 H41 N O5, mfg=99.80, overall=99.80 ] (376.30582, 8197550.0)(377.30936, 1804120.4)(378.31223, 266051.94)(379.31445, 34832.875)(393.3371, 1645.58) 37 375.2982 C20 H41 N O5 + 278.1737@1.1811874 1.1811874 (279.18137, 7668.315)(280.1824, 6089.23)(296.2079, 6473.79)(297.2087, 3060.13) 9 278.1737 278.1737@1.1811874 + 88.0522@1.1818553 1.1818553 (89.05951, 16101.663)(90.062775, 1196.2474)(91.0541, 13653.96) 31 88.0522 88.0522@1.1818553 + 399.2984@1.1686392 1.1686392 (400.3059, 5108.519)(401.3057, 2834.6519)(402.30597, 3604.8398)(417.33234, 16953.8)(418.33447, 5958.5356)(419.31622, 18645.117) 17 399.2984 399.2984@1.1686392 + C6 H14 O4 1.1824338 [ C6 H14 O4, mfg=99.90, overall=99.90 ] (151.09653, 668392.75)(152.10005, 43683.484)(153.1, 8333.239) 37 150.0892 C6 H14 O4 + 340.2612@1.1784611 1.1784611 (703.52, 867.85)(704.5143, 668.02)(341.26773, 302559.53)(342.27032, 78249.29)(343.27432, 15174.116)(344.2758, 3108.559)(323.25653, 7243.3096)(358.29483, 3739.3)(363.2513, 3891.29) 17 340.2612 340.2612@1.1784611 + Melengestrol acetate 1.1818823 C14642 Melengestrol acetate [ C25 H32 O4, mfg=57.35, db=57.06, overall=57.20, CAS ID=, KEGG ID=C14642, METLIN ID=43240 ] (397.23514, 6640.3755)(398.23755, 2428.7803) 27 396.2286 Melengestrol acetate + C23 H49 N S2 1.1826131 [ C23 H49 N S2, mfg=84.37, overall=84.37 ] (404.33624, 22817.57)(405.34116, 6608.1543)(406.34375, 2775.52) 33 403.3294 C23 H49 N S2 + C20 H23 Cl N2 O2 1.1845826 [ C20 H23 Cl N2 O2, mfg=69.87, overall=34.93 ] (359.14938, 5072.297)(360.1546, 1589.4655)(361.1597, 1983.89)(376.1781, 14431.991)(377.1935, 4900.58)(381.1312, 1335.9601) 33 358.1433 C20 H23 Cl N2 O2 + 562.2062@1.1854942 1.1854942 (563.2136, 4432.314)(564.2174, 2171.0142)(585.1957, 2973.04) 8 562.2062 562.2062@1.1854942 + C22 H41 N O9 1.1858921 [ C22 H41 N O9, mfg=89.25, overall=89.25 ] (464.28537, 21289.56)(465.2884, 5992.614)(466.29395, 2301.176)(486.26987, 1128.6968) 37 463.2784 C22 H41 N O9 + C41 H64 Cl N2 1.1819826 [ C41 H64 Cl N2, mfg=70.03, overall=70.03 ] (620.4845, 3313.132)(621.48663, 1542.5632)(622.4757, 1272.47) 18 619.477 C41 H64 Cl N2 + C18 H42 N3 S2 1.1882637 [ C18 H42 N3 S2, mfg=97.11, overall=97.11 ] (365.2887, 7254.7944)(382.3165, 53813.203)(383.3199, 12385.641)(384.3141, 4901.3496)(385.3055, 1009.62)(387.26785, 2179.6748) 19 364.2823 C18 H42 N3 S2 + C23 H47 N8 1.1873723 [ C23 H47 N8, mfg=74.38, overall=74.38 ] (436.3986, 5486.846)(437.40146, 1914.4705)(458.3793, 3029.25)(459.3819, 1783.2) 32 435.3915 C23 H47 N8 + C30 H66 Cl N5 O3 1.1889346 [ C30 H66 Cl N5 O3, mfg=70.80, overall=70.80 ] (580.49274, 7751.159)(581.4962, 3131.65)(582.4887, 2280.4602)(583.4959, 2830.77)(602.4788, 838.68) 26 579.4852 C30 H66 Cl N5 O3 + 3-methoxy Prostaglandin F1? 1.1862227 3-methoxy Prostaglandin F1? [ C21 H38 O6, mfg=41.62, db=66.76, overall=54.19, CAS ID=54432-43-8, METLIN ID=45613 ] 54432-43-8 (404.2991, 16992.102)(405.3024, 5086.4243)(406.3085, 8532.938)(407.31174, 2004.5675)(408.31226, 2435.4924) 18 403.2923 3-methoxy Prostaglandin F1? + C22 H39 N O3 1.1876235 [ C22 H39 N O3, mfg=81.43, overall=81.43 ] (366.2996, 40749.574)(367.3026, 10869.348)(348.2884, 16983.52)(383.3253, 3458.35)(388.27716, 7023.9424) 32 365.2927 C22 H39 N O3 + Linoleoyl Ethanolamide 1.1889015 Linoleoyl Ethanolamide [ C20 H37 N O2, mfg=82.49, db=82.42, overall=82.45, CAS ID=68171-52-8, Lipid ID=LMFA08040004, HMP ID=HMDB12252, METLIN ID=3718 ] 68171-52-8 (324.28912, 74011.805)(325.29196, 18150.62)(346.26907, 9713.215)(347.27267, 3561.0938) 36 323.282 Linoleoyl Ethanolamide HMDB12252 + LMFA08040004 408.2462@1.1801564 1.1801564 (817.5035, 653.39)(409.25427, 11007.91)(410.2563, 11565.067)(411.26523, 3678.1233) 24 408.2462 408.2462@1.1801564 + 345.261@1.187307 1.187307 (691.5061, 760.2)(346.2662, 11419.754)(347.2697, 4131.6235)(368.2555, 2010.04) 23 345.261 345.261@1.187307 + 341.3308@1.1921322 1.1921322 (705.6484, 1835.46)(342.33813, 4674.67)(343.3388, 1291.375) 4 341.3308 341.3308@1.1921322 + C15 H37 N4 O S2 1.1914597 [ C15 H37 N4 O S2, mfg=64.87, overall=64.87 ] (354.25034, 11297.139)(355.25046, 3542.6833)(356.24234, 2385.727) 27 353.2424 C15 H37 N4 O S2 + 565.4683@1.1894794 1.1894794 (566.4747, 4581.527)(567.4779, 2046.5)(568.4677, 1433.67) 26 565.4683 565.4683@1.1894794 + C9 H21 Cl N5 1.194202 [ C9 H21 Cl N5, mfg=63.87, overall=31.94 ] (469.29895, 2136.49)(486.3228, 762.29)(235.15471, 24079.592)(236.15842, 5608.1553)(237.14876, 9613.32)(252.17978, 10555.1045)(253.1797, 14880.0)(257.13782, 2752.6125)(258.1375, 1371.79) 17 234.1471 C9 H21 Cl N5 + 3-Methyl-2-butenoic acid 1.1939839 3-Methyl-2-butenoic acid [ C5 H8 O2, mfg=75.21, db=75.21, overall=75.21, CAS ID=541-47-9, Lipid ID=LMFA01020097, HMP ID=HMDB00509, METLIN ID=4623 ] 541-47-9 (101.05967, 14845.608)(102.06164, 1570.37) 19 100.0523 3-Methyl-2-butenoic acid HMDB00509 + LMFA01020097 404.349@1.1932949 1.1932949 (405.35352, 4489.565)(422.3833, 24452.465)(423.3865, 6849.535) 2 404.349 404.349@1.1932949 + C17 H31 N4 O S 1.1938901 [ C17 H31 N4 O S, mfg=55.10, overall=55.10 ] (340.23282, 11594.748)(341.23053, 3977.4272)(342.2181, 2711.29)(357.25964, 1756.3599)(362.2146, 1173.58) 30 339.2255 C17 H31 N4 O S + C26 H58 Cl N6 O2 1.1943142 [ C26 H58 Cl N6 O2, mfg=71.44, overall=71.44 ] (522.4342, 8751.831)(523.43756, 3112.0322)(524.4378, 5196.197)(525.4431, 2032.6635)(526.4492, 741.12) 25 521.4279 C26 H58 Cl N6 O2 + 510.1718@1.2119285 1.2119285 (511.17886, 2366.74)(512.18164, 1105.5549) 3 510.1718 510.1718@1.2119285 + C22 H41 N O 1.194917 [ C22 H41 N O, mfg=97.15, overall=97.15 ] (671.64386, 2587.142)(672.6467, 1714.61)(336.32593, 480809.25)(337.32907, 118981.95)(338.33618, 23465.264)(339.3419, 4779.756)(340.3473, 827.17) 34 335.3187 C22 H41 N O + C15 H32 O S2 1.196054 [ C15 H32 O S2, mfg=68.40, overall=68.40 ] (607.3626, 1048.78)(293.19705, 31038.07)(294.20142, 6811.289)(295.18967, 7699.2104)(310.2223, 24699.598)(311.2232, 9455.024)(312.2227, 3370.827) 29 292.1889 C15 H32 O S2 + 361.2467@1.2039876 1.2039876 (362.25513, 9125.18)(363.25497, 4039.1582)(344.2415, 17081.38)(345.242, 5450.22)(384.23804, 7280.8877) 17 361.2467 361.2467@1.2039876 + C22 H47 N6 O 1.1849583 [ C22 H47 N6 O, mfg=70.06, overall=70.06 ] (412.3885, 5811.6064)(413.3894, 2082.114)(414.3959, 1229.3) 27 411.3815 C22 H47 N6 O + C30 H55 N4 O S 1.2004611 [ C30 H55 N4 O S, mfg=47.58, overall=47.58 ] (520.4189, 5133.6196)(521.4214, 2221.9468)(522.4332, 5647.561)(523.43695, 1967.7458)(502.4065, 2120.46)(542.3972, 1970.325) 31 519.4122 C30 H55 N4 O S + C20 H41 N8 1.1968067 [ C20 H41 N8, mfg=98.36, overall=98.36 ] (394.35245, 195042.48)(395.35553, 48019.566)(396.3569, 9546.968)(397.35788, 1468.3531) 37 393.3451 C20 H41 N8 + C36 H71 N S4 1.1577905 [ C36 H71 N S4, mfg=73.17, overall=73.17 ] (646.4528, 3607.275)(647.45435, 2021.5924)(648.4548, 1496.38)(668.43835, 1026.1125)(669.4353, 1377.0) 21 645.4492 C36 H71 N S4 + 390.3336@1.2001715 1.2001715 (391.3403, 5664.8125)(392.3416, 5270.56)(393.3412, 1798.3)(408.36758, 31141.02)(409.37094, 10881.848)(410.373, 11511.09)(411.3763, 2987.19) 10 390.3336 390.3336@1.2001715 + 507.4232@1.1650473 1.1650473 (508.4221, 2452.295)(509.42993, 1227.178)(510.43115, 2570.35) 6 507.4232 507.4232@1.1650473 + C13 H33 N10 O2 1.1990484 [ C13 H33 N10 O2, mfg=47.54, overall=47.54 ] (362.28787, 10243.462)(384.26785, 2802.9158) 30 361.2809 C13 H33 N10 O2 + C31 H60 Cl N6 1.2010998 [ C31 H60 Cl N6, mfg=74.10, overall=74.10 ] (552.4649, 4710.938)(553.46893, 1898.2993)(554.45703, 1750.678)(574.44824, 1135.0449) 25 551.4592 C31 H60 Cl N6 + C19 H25 N6 1.2059013 [ C19 H25 N6, mfg=73.10, overall=73.10 ] (338.21918, 6663.9185)(339.2174, 2643.2246)(355.24902, 3078.31)(356.2451, 578.97) 22 337.2112 C19 H25 N6 + 444.1816@1.2592953 1.2592953 (445.1848, 11836.644)(446.19318, 4274.35)(447.1958, 2952.76)(467.1713, 3701.49) 3 444.1816 444.1816@1.2592953 + 390.2045@1.1533791 1.1533791 (391.21307, 8242.066)(392.22137, 4124.835)(393.2005, 1628.96)(373.19955, 3317.2852)(408.23752, 7426.563)(413.19574, 4242.7256)(414.2052, 1820.225) 9 390.2045 390.2045@1.1533791 + 208.1492@1.2404943 1.2404943 (417.3007, 1745.53)(209.15515, 8501.405)(210.1519, 1487.185)(226.18015, 4061.8452) 6 208.1492 208.1492@1.2404943 + 279.253@1.1993266 1.1993266 (280.25882, 5653.3325)(281.25922, 1709.3141) 11 279.253 279.253@1.1993266 + Hecogenin 1.2045225 C08902 Hecogenin [ C27 H42 O4, mfg=54.21, db=54.19, overall=54.20, CAS ID=467-55-0, KEGG ID=C08902, METLIN ID=43920 ] 467-55-0 (431.31476, 11068.042)(432.31348, 5346.7056)(433.32617, 2425.575)(413.3035, 2297.07)(448.3433, 3183.5)(453.29553, 1460.6326) 32 430.3076 Hecogenin + 3-ketosphingosine 1.2158562 C06121 3-ketosphingosine [ C18 H35 N O2, mfg=64.19, db=57.07, overall=60.63, CAS ID=19767-16-9, KEGG ID=C06121, METLIN ID=43208 ] 19767-16-9 (298.27322, 9199.28)(299.27264, 2616.6553)(280.26062, 5964.675)(281.2649, 1141.0)(320.257, 2456.06) 24 297.2657 3-ketosphingosine + Rugosal A 1.2021598 C09717 Rugosal A [ C15 H22 O4, mfg=80.53, db=80.45, overall=80.49, CAS ID=121387-05-1, KEGG ID=C09717, METLIN ID=67905 ] 121387-05-1 (533.30615, 845.78253)(267.15936, 16804.781)(268.163, 3589.6646)(249.15036, 4509.88)(284.1842, 2957.4922)(289.143, 2008.9236) 33 266.1517 Rugosal A + C31 H54 Cl N6 O 1.1979123 [ C31 H54 Cl N6 O, mfg=62.91, overall=62.91 ] (562.4075, 9972.947)(563.4115, 4194.2256)(564.4224, 5717.607)(565.42914, 1852.425) 22 561.4003 C31 H54 Cl N6 O + 411.2825@1.2215742 1.2215742 (412.2859, 4847.8267)(413.2875, 2499.298)(414.27905, 1913.6139)(434.27087, 2987.905)(435.2753, 1544.8) 18 411.2825 411.2825@1.2215742 + 290.1519@1.204 1.204 (291.1592, 2933.94) 1 290.1519 290.1519@1.204 + C9 H21 N10 O2 1.2017211 [ C9 H21 N10 O2, mfg=47.58, overall=47.58 ] (603.3784, 1062.9451)(620.4182, 1721.31)(621.4317, 1569.24)(302.19614, 12313.087)(303.1948, 4341.4014)(304.1865, 3506.32)(284.1815, 2700.77)(319.22565, 4293.195) 35 301.1889 C9 H21 N10 O2 + C16 H28 N7 O2 1.2040952 [ C16 H28 N7 O2, mfg=93.62, overall=93.62 ] (351.23837, 24864.93)(352.2456, 7954.679)(353.23184, 8175.7227)(368.26398, 159307.02)(369.26666, 36272.06)(370.2666, 10523.642)(373.21933, 4309.1943)(374.21695, 4380.07) 30 350.2302 C16 H28 N7 O2 + C21 H35 N2 O3 1.211545 [ C21 H35 N2 O3, mfg=67.23, overall=67.23 ] (749.5114, 832.95)(364.27203, 49965.68)(365.27655, 17650.125)(381.3073, 1599.85)(386.2539, 7803.1055)(387.25266, 3783.7449)(388.25595, 2376.175) 29 363.262 C21 H35 N2 O3 + C26 H55 N O7 1.2047765 [ C26 H55 N O7, mfg=80.81, overall=80.81 ] (494.40457, 13592.703)(495.40768, 4075.9734)(496.41238, 2268.581)(516.385, 3928.18) 37 493.3976 C26 H55 N O7 + C16 H45 N11 O S 1.2089572 [ C16 H45 N11 O S, mfg=88.61, overall=88.61 ] (440.35864, 18524.895)(441.361, 5191.5674)(442.35596, 1674.1018)(443.358, 361.395)(462.3471, 1999.29) 36 439.3513 C16 H45 N11 O S + 289.2225@1.2108583 1.2108583 (596.4885, 2180.5867)(597.4907, 1035.3966)(598.4874, 2915.59)(290.2314, 4425.2266) 10 289.2225 289.2225@1.2108583 + 282.1801@1.2060285 1.2060285 (283.18884, 8295.405)(284.18243, 3301.185)(285.1759, 2406.02)(300.2128, 9963.01)(301.2134, 3985.55) 2 282.1801 282.1801@1.2060285 + C26 H49 N O3 S2 1.2048305 [ C26 H49 N O3 S2, mfg=80.52, overall=80.52 ] (488.32254, 10016.257)(489.325, 3712.268)(490.3311, 1863.5634) 37 487.316 C26 H49 N O3 S2 + 322.1416@1.206893 1.206893 (323.14926, 8240.032)(324.1534, 2100.177)(325.1603, 2065.03)(345.13223, 1057.136) 10 322.1416 322.1416@1.206893 + 407.3015@1.1563243 1.1563243 (408.3081, 18069.35)(409.3081, 5660.5044)(410.31564, 2823.6233)(425.3383, 1490.91) 7 407.3015 407.3015@1.1563243 + 459.2559@1.2147347 1.2147347 (460.26038, 3300.8652)(461.26276, 1819.46)(462.26617, 2258.4849) 2 459.2559 459.2559@1.2147347 + C19 H36 N7 1.2057985 [ C19 H36 N7, mfg=89.62, overall=89.62 ] (363.3093, 13181.163)(364.3052, 6932.6646)(365.3121, 2006.7334)(380.3365, 56022.94)(381.33994, 15936.741)(382.3389, 4189.47) 36 362.3027 C19 H36 N7 + C16 H35 N O4 1.2063515 [ C16 H35 N O4, mfg=68.04, overall=68.04 ] (306.26395, 38685.797)(307.2655, 10721.861)(328.2487, 2060.4346) 27 305.2566 C16 H35 N O4 + 547.3754@1.1325403 1.1325403 (548.387, 7746.198)(549.3926, 3982.3184)(550.393, 4013.0598)(565.4082, 5946.27) 7 547.3754 547.3754@1.1325403 + 324.1939@1.2221473 1.2221473 (666.416, 671.34)(671.3776, 610.23)(325.20197, 13961.144)(326.2032, 3925.55)(307.1904, 9769.67)(308.1954, 2719.29)(347.1851, 6772.0654)(348.19055, 3909.895) 15 324.1939 324.1939@1.2221473 + 875.7926@1.1946062 1.1946062 (876.7984, 8460.975)(877.80286, 4527.14)(878.80756, 2567.135)(879.8091, 1971.05)(880.8028, 296.67) 8 875.7926 875.7926@1.1946062 + 164.0848@1.196495 1.196495 (329.1822, 1695.5)(165.09184, 8168.5664)(166.0909, 1720.28)(147.08154, 2538.585) 10 164.0848 164.0848@1.196495 + Sugetriol 1.2182125 C17502 Sugetriol [ C15 H24 O3, mfg=47.61, db=47.61, overall=47.61, KEGG ID=C17502, METLIN ID=71742 ] (505.348, 2079.15)(527.3334, 927.75)(253.17902, 9762.995)(254.17682, 5309.1577)(235.1692, 15484.8)(275.1632, 2142.108) 24 252.172 Sugetriol + 406.1992@1.2244563 1.2244563 (835.3789, 556.77)(407.2054, 5331.151)(408.20374, 1824.365)(389.1949, 7130.02)(390.2088, 2676.41)(424.23102, 2040.205)(425.2189, 707.95)(429.1897, 4444.0317)(430.2017, 1926.2666) 13 406.1992 406.1992@1.2244563 + 581.4602@1.1719757 1.1719757 (582.4785, 2295.2056)(583.4818, 1241.903)(584.46497, 3397.495) 9 581.4602 581.4602@1.1719757 + 226.1205@1.2063861 1.2063861 (453.24756, 1880.1549)(470.2756, 1498.7151)(227.12788, 23318.73)(228.13043, 4134.4233)(229.1167, 1950.37)(244.15446, 41146.094)(245.15208, 8661.867)(246.1605, 3014.207)(249.11154, 3605.2285)(250.1147, 1518.1533) 18 226.1205 226.1205@1.2063861 + 200.1052@1.2084229 1.2084229 (401.2269, 2424.09)(418.24442, 7100.8013)(419.24533, 2539.0566)(423.20084, 2287.918)(201.11304, 7548.2466)(202.11456, 1826.929)(203.10661, 2873.3167)(183.10165, 47115.387)(184.10501, 6267.556)(218.13887, 39372.34)(219.1401, 7420.854)(220.1391, 2718.99)(223.09602, 4038.3862)(224.09769, 1503.89) 18 200.1052 200.1052@1.2084229 + C20 H41 N4 O2 1.2081141 [ C20 H41 N4 O2, mfg=92.36, overall=92.36 ] (370.3311, 81490.52)(371.33224, 21471.854)(372.33337, 4398.181)(373.3408, 754.4328)(392.31345, 21308.7)(393.31516, 4998.882) 36 369.3239 C20 H41 N4 O2 + 309.299@1.2226372 1.2226372 (310.30627, 3367.6064)(311.30743, 1105.8)(312.2893, 620.23) 9 309.299 309.299@1.2226372 + 899.7937@1.2057016 1.2057016 (900.8006, 10966.43)(901.80475, 7018.585)(902.8153, 18892.76)(903.8195, 10096.46)(904.824, 3715.91)(905.8304, 872.27)(922.7848, 2492.73)(923.7874, 1308.27)(924.8, 3757.45)(925.8022, 2507.04)(926.8143, 4863.84) 2 899.7937 899.7937@1.2057016 + 128.0839@1.21 1.21 (274.2007, 4637.51)(279.1573, 6347.83)(129.0921, 1868.55) 1 128.0839 128.0839@1.21 + Athamantin + 1.2098414 1.2098414 C09123 Athamantin [ C24 H30 O7, mfg=79.33, db=79.31, overall=79.32, CAS ID=1892-56-4, KEGG ID=C09123, METLIN ID=67446 ] 1892-56-4 (431.20554, 11464.076)(413.19464, 3578.4)(414.20535, 1901.04)(448.23267, 29754.184)(449.23615, 9249.299)(450.2378, 5287.3574)(453.18826, 5542.4604)(454.20016, 2252.3884)(455.18842, 1331.49) 16 430.1988 Athamantin + 1.2098414 + 242.1516@1.1612589 1.1612589 (485.323, 2575.1)(243.15953, 5578.968)(244.15697, 2102.0576)(245.1503, 5108.19)(225.1483, 6169.89)(260.18555, 2341.545)(265.1423, 2685.45) 9 242.1516 242.1516@1.1612589 + 479.3817@1.1925143 1.1925143 (480.38733, 3629.0063)(481.3912, 1218.2429)(482.3866, 1858.945)(497.4137, 795.79)(502.3732, 3274.1802) 13 479.3817 479.3817@1.1925143 + Pederin 1.2058316 C15760 Pederin [ C25 H45 N O9, mfg=68.87, db=68.85, overall=68.86, CAS ID=27973-72-4, KEGG ID=C15760, METLIN ID=71091 ] 27973-72-4 (504.31836, 6782.337)(505.31992, 2619.2468)(506.32285, 1742.3715)(486.3088, 1280.3401) 34 503.3102 Pederin + 393.2514@1.1617278 1.1617278 (809.48175, 1433.8766)(810.48285, 1163.91)(394.25623, 16087.232)(395.26016, 5055.0166)(411.2744, 2860.81) 13 393.2514 393.2514@1.1617278 + 577.3968@1.212 1.212 (578.4041, 4010.14) 1 577.3968 577.3968@1.212 + C32 H63 N O S2 1.2143505 [ C32 H63 N O S2, mfg=91.36, overall=91.36 ] (542.4391, 3045.4368)(543.44226, 1284.2875)(544.45044, 1294.2991)(545.455, 466.67)(524.4322, 4377.397)(525.43463, 1720.8699)(526.43286, 942.09)(564.425, 3868.41)(565.4282, 1525.13) 28 541.4343 C32 H63 N O S2 + 313.2969@1.2153504 1.2153504 (314.30313, 2081.4617)(315.30682, 820.11005) 6 313.2969 313.2969@1.2153504 + C15 H29 N O2 1.2154691 [ C15 H29 N O2, mfg=78.32, overall=78.32 ] (511.4397, 1139.05)(256.22678, 29570.602)(257.22876, 6355.6353)(278.20825, 5374.54) 36 255.2196 C15 H29 N O2 + C13 H14 N7 1.2075354 [ C13 H14 N7, mfg=68.87, overall=68.87 ] (269.13712, 9601.18)(270.13937, 2412.2795)(251.1276, 3903.32)(286.1662, 4810.79)(291.12097, 1124.3666) 27 268.1297 C13 H14 N7 + C35 H66 N2 O2 1.2145247 [ C35 H66 N2 O2, mfg=89.62, overall=89.62 ] (547.51904, 8159.413)(548.52216, 3387.2314)(549.52545, 1290.3954) 36 546.5115 C35 H66 N2 O2 + C20 H37 N O 1.2153687 [ C20 H37 N O, mfg=90.84, overall=90.84 ] (308.29413, 46447.383)(309.29752, 11127.963)(310.30557, 2979.9963)(311.3104, 716.93)(330.2761, 849.25) 32 307.2868 C20 H37 N O + 586.5043@1.2151711 1.2151711 (587.5114, 1995.4241)(588.5136, 1026.7877) 10 586.5043 586.5043@1.2151711 + 473.2995@1.2136933 1.2136933 (474.30646, 4449.425)(475.3061, 1813.0026) 4 473.2995 473.2995@1.2136933 + C30 H43 N2 O2 1.2154193 [ C30 H43 N2 O2, mfg=78.48, overall=78.48 ] (464.34018, 16685.074)(465.34393, 4877.4575)(446.32794, 3091.1274)(481.3685, 677.54)(486.3183, 965.39) 29 463.3321 C30 H43 N2 O2 + 623.3924@1.1550753 1.1550753 (624.395, 1429.6533)(625.39874, 991.50323)(626.3953, 1312.415) 3 623.3924 623.3924@1.1550753 + 296.1259@1.210704 1.210704 (610.2819, 1180.31)(297.13345, 17123.086)(298.1371, 3749.4016)(279.1227, 2636.5635)(280.1247, 1452.58)(314.16107, 1755.176)(319.1186, 1160.005) 20 296.1259 296.1259@1.210704 + C16 H31 N4 O 1.2157539 [ C16 H31 N4 O, mfg=46.84, overall=46.84 ] (613.4844, 742.58)(296.2582, 33308.945)(297.25122, 11874.54)(318.23767, 6587.776)(319.2334, 3239.21) 27 295.2508 C16 H31 N4 O + C27 H41 N2 S + 1.2167214 1.2167214 [ C27 H41 N2 S, mfg=86.72, overall=86.72 ] (426.3057, 35271.332)(427.30655, 11999.279)(428.30438, 3827.0637)(448.28958, 13512.626)(449.29224, 4785.5317)(450.27606, 4413.7197) 35 425.299 C27 H41 N2 S + 1.2167214 + C20 H39 N4 O2 1.2210736 [ C20 H39 N4 O2, mfg=84.34, overall=84.34 ] (735.62354, 2652.7632)(736.6259, 1595.2233)(737.6396, 4329.18)(738.6421, 2469.43)(739.65137, 2117.28)(740.6618, 1351.08)(757.6062, 1317.06)(368.31473, 58494.906)(369.31796, 14562.109)(385.3446, 2995.84)(390.2957, 11049.369)(391.2896, 4445.234) 34 367.3077 C20 H39 N4 O2 + 471.3534@1.2199404 1.2199404 (472.3599, 2785.5942)(473.3627, 1216.2914)(474.3661, 3213.68)(489.3936, 1775.02)(494.3351, 2069.01) 7 471.3534 471.3534@1.2199404 + 269.2348@1.2143781 1.2143781 (270.24207, 4688.4937)(271.24225, 1523.3132)(292.2222, 2190.28) 19 269.2348 269.2348@1.2143781 + 423.3222@1.2172904 1.2172904 (424.32895, 9594.336)(425.33078, 3779.7976) 17 423.3222 423.3222@1.2172904 + 427.2575@1.1685791 1.1685791 (428.26535, 4565.637)(429.26346, 2106.33)(445.29166, 1404.72) 7 427.2575 427.2575@1.1685791 + 493.3242@1.217 1.217 (494.3315, 2010.91)(495.3309, 1184.32)(496.3307, 1148.88) 1 493.3242 493.3242@1.217 + 316.2035@1.1304699 1.1304699 (317.21024, 17685.969)(318.21445, 6173.0405)(334.2369, 7588.57)(339.19318, 2883.4602) 14 316.2035 316.2035@1.1304699 + N,N-dimethylsphing-4-enine 1.2188791 C13914 N,N-dimethylsphing-4-enine [ C20 H41 N O2, mfg=96.53, db=96.52, overall=96.53, KEGG ID=C13914, METLIN ID=41563 ] (328.3204, 20730.418)(329.3239, 4862.142)(330.32608, 1167.9788)(310.3067, 2818.22) 37 327.313 N,N-dimethylsphing-4-enine + 106.064@1.2185737 1.2185737 (213.13356, 13146.868)(214.13155, 3888.37)(215.12976, 3092.68)(107.07072, 13981.414)(108.0796, 1077.0834)(89.0598, 11945.94)(90.0612, 748.91) 12 106.064 106.064@1.2185737 + C34 H54 Cl 1.2167115 [ C34 H54 Cl, mfg=73.52, overall=73.52 ] (498.3996, 4127.9756)(499.40308, 1625.6001)(500.39383, 1143.1353)(480.3889, 4220.63)(481.3927, 1247.35)(482.4017, 929.43) 25 497.3926 C34 H54 Cl + N-oleoyl ethanolamine + 1.2216221 1.2216221 N-oleoyl ethanolamine [ C20 H39 N O2, mfg=86.39, db=86.48, overall=86.44, Lipid ID=LMFA08040015, HMP ID=HMDB02088, METLIN ID=75539 ] (326.3048, 28631.941)(327.308, 6945.9067)(308.29425, 61662.324)(309.29507, 12895.365)(310.3059, 3090.63)(348.2855, 12320.237)(349.2881, 6004.86) 36 325.2975 N-oleoyl ethanolamine + 1.2216221 HMDB02088 + LMFA08040015 C8 H18 O3 1.2211968 [ C8 H18 O3, mfg=87.12, overall=87.12 ] (163.13278, 71932.336)(164.13654, 6818.201)(165.12952, 3213.364)(180.15973, 11916.556)(181.16121, 1778.3326)(182.1556, 1090.374)(185.11656, 3924.0627)(186.11664, 2199.22) 36 162.1256 C8 H18 O3 + 302.2092@1.2237694 1.2237694 (605.4261, 960.51337)(622.45386, 1164.47)(623.4641, 691.63)(303.2156, 7538.909)(304.2176, 3652.0579)(305.2104, 2305.1602)(320.24295, 82057.17)(321.2473, 18939.36)(322.2478, 4051.24)(325.2013, 8360.32)(326.2013, 2516.15) 20 302.2092 302.2092@1.2237694 + 100.0887@1.220436 1.220436 (101.09567, 4820.8774)(123.0805, 3773.1) 4 100.0887 100.0887@1.220436 + C15 H29 N8 O 1.2260667 [ C15 H29 N8 O, mfg=81.08, overall=81.08 ] (675.499, 637.0)(338.2565, 11322.303)(339.25592, 4136.6025)(320.24307, 73412.89)(321.24683, 17146.303)(360.2384, 1970.0967) 28 337.2477 C15 H29 N8 O + C25 H49 N5 S2 1.2329133 [ C25 H49 N5 S2, mfg=74.00, overall=74.00 ] (484.3494, 7477.6147)(485.34976, 3017.4114)(486.34824, 1897.2761)(501.3762, 1049.78)(506.33224, 2028.2029)(507.3337, 1830.24) 29 483.3422 C25 H49 N5 S2 + C18 H38 N6 O4 1.2237362 [ C18 H38 N6 O4, mfg=47.62, overall=47.62 ] (403.3054, 4997.837)(404.3072, 2758.14)(405.3042, 1210.39)(385.2922, 10210.68)(425.28693, 11727.454)(426.3029, 29517.88) 35 402.2979 C18 H38 N6 O4 + 267.2194@1.2366378 1.2366378 (268.2263, 11592.09)(269.22064, 10015.645)(270.214, 10896.01)(290.207, 5687.94) 15 267.2194 267.2194@1.2366378 + 173.0475@1.2278621 1.2278621 (174.05482, 9973.983)(175.05669, 1872.6007) 22 173.0475 173.0475@1.2278621 + 208.1103@1.2179431 1.2179431 (417.2266, 3685.05)(209.1174, 6713.04)(210.11676, 1651.26)(191.1075, 4937.2803)(192.10574, 1100.43)(226.1468, 2254.29) 7 208.1103 208.1103@1.2179431 + 400.3314@1.2058893 1.2058893 (401.3391, 23852.877)(402.34213, 17067.455)(403.34796, 5501.54) 7 400.3314 400.3314@1.2058893 + C12 H15 N5 O8 S 1.2282846 [ C12 H15 N5 O8 S, mfg=92.02, overall=92.02 ] (390.07108, 10015.259)(391.075, 1425.3885)(392.0751, 760.99) 29 389.064 C12 H15 N5 O8 S + 389.29@1.2233632 1.2233632 (390.29532, 10763.428)(391.28867, 4428.75) 9 389.29 389.29@1.2233632 + 261.1589@1.2103847 1.2103847 (262.16547, 5987.293)(279.1912, 6892.95)(280.2028, 1922.09) 3 261.1589 261.1589@1.2103847 + C9 H23 Cl N7 O 1.230053 [ C9 H23 Cl N7 O, mfg=71.38, overall=71.38 ] (561.332, 764.17)(281.17273, 36326.53)(282.1777, 7987.726)(283.16592, 11926.297)(263.1632, 3556.73)(303.1565, 1763.51) 21 280.1653 C9 H23 Cl N7 O + C22 H45 N O6 1.2295234 [ C22 H45 N O6, mfg=99.85, overall=99.85 ] (420.33173, 2088086.5)(421.3352, 526549.4)(422.33832, 89409.17)(423.34186, 12970.459)(442.3146, 1785.3033) 37 419.3243 C22 H45 N O6 + C28 H45 N2 O 1.2128451 [ C28 H45 N2 O, mfg=93.72, overall=93.72 ] (426.36008, 13744.614)(427.36182, 4500.752)(428.37103, 851.675) 30 425.3513 C28 H45 N2 O + 126.1042@1.2204045 1.2204045 (270.2422, 4457.57)(271.2408, 1543.8168)(275.2006, 2040.37)(127.11157, 3450.318)(128.11024, 891.15)(109.1012, 45100.48)(110.1043, 5134.85)(144.1377, 2408.915)(149.0949, 1978.06) 11 126.1042 126.1042@1.2204045 + C25 H47 N O6 1.2302897 [ C25 H47 N O6, mfg=91.71, overall=91.71 ] (458.3473, 28323.986)(459.35022, 8507.882)(460.35165, 2976.1538)(475.37665, 1669.485) 33 457.3401 C25 H47 N O6 + C23 H42 N7 O 1.2315768 [ C23 H42 N7 O, mfg=89.72, overall=89.72 ] (433.3511, 11639.896)(434.3531, 4246.5464)(435.35992, 1864.4576)(415.34103, 29593.533)(416.3442, 8501.001)(417.33694, 3569.0)(450.37842, 40823.164)(451.38162, 11201.882)(455.33405, 41985.203)(456.33688, 13400.672)(457.33673, 4006.0386) 37 432.3445 C23 H42 N7 O + C32 H62 N5 O 1.2314065 [ C32 H62 N5 O, mfg=69.94, overall=69.94 ] (533.503, 2328.0342)(534.5049, 1286.0757)(535.5135, 555.48) 27 532.495 C32 H62 N5 O + 449.3712@1.2098972 1.2098972 (450.37827, 32951.55)(451.38156, 9318.769) 7 449.3712 449.3712@1.2098972 + 21-Hydroxy-5?-pregnane-3,11,20-trione 1.2327633 C05477 21-Hydroxy-5?-pregnane-3,11,20-trione [ C21 H30 O4, mfg=93.18, db=93.17, overall=93.18, CAS ID=, KEGG ID=C05477, METLIN ID=63328 ] (347.22128, 56469.82)(348.22623, 15288.818)(349.2268, 3648.6523) 33 346.2141 21-Hydroxy-5?-pregnane-3,11,20-trione + C27 H55 N8 O 1.2334108 [ C27 H55 N8 O, mfg=76.46, overall=76.46 ] (508.45636, 5163.733)(509.45975, 1907.3442)(530.438, 651.13) 31 507.4493 C27 H55 N8 O + C34 H58 Cl O2 1.2346212 [ C34 H58 Cl O2, mfg=79.92, overall=79.92 ] (534.42365, 6546.7383)(535.42377, 2599.9734)(536.4106, 2402.83)(537.407, 1115.865) 29 533.4191 C34 H58 Cl O2 + 17,20-dimethyl Prostaglandin F1? 1.2337272 17,20-dimethyl Prostaglandin F1? [ C22 H40 O5, mfg=36.08, db=43.11, overall=39.59, METLIN ID=45618 ] (786.61127, 1072.17)(787.6214, 633.14)(788.5896, 1427.31)(385.29678, 13308.178)(386.2932, 5705.51)(387.3086, 8035.12)(402.32364, 1462.36) 23 384.2889 17,20-dimethyl Prostaglandin F1? + 3-ketosphinganine 1.2340895 C02934 3-ketosphinganine [ C18 H37 N O2, mfg=97.23, db=97.23, overall=97.23, CAS ID=16105-69-4, Lipid ID=LMSP01020002, KEGG ID=C02934, HMP ID=HMDB01480, METLIN ID=3428 ] 16105-69-4 (300.28915, 28228.244)(301.29254, 5907.5254)(302.29395, 1250.79)(282.27695, 1363.7233) 37 299.282 3-ketosphinganine HMDB01480 + LMSP01020002 C13 H29 N4 O 1.2364067 [ C13 H29 N4 O, mfg=65.99, overall=65.99 ] (515.4777, 2395.54)(258.24207, 41039.977)(259.2437, 8298.667)(260.2385, 5329.3877)(261.2484, 1916.99)(280.2227, 10634.34)(281.2173, 2424.82) 35 257.2349 C13 H29 N4 O + 253.2045@1.2440645 1.2440645 (524.4453, 4785.97)(254.21149, 21422.094)(255.20686, 8103.057)(236.1982, 1423.21)(276.19345, 4501.676)(277.1897, 2871.46) 17 253.2045 253.2045@1.2440645 + 285.2407@1.240508 1.240508 (286.24728, 9097.441)(287.25507, 5881.918) 13 285.2407 285.2407@1.240508 + 240.1727@1.2317706 1.2317706 (481.3589, 1339.43)(241.1806, 31602.842)(242.18239, 6434.351)(223.16914, 18642.104)(258.2054, 6880.15)(259.2024, 3945.33)(263.1638, 3104.42) 13 240.1727 240.1727@1.2317706 + 404.314@1.2425439 1.2425439 (405.31958, 4186.887)(387.3121, 9726.585)(388.30853, 3202.455)(427.30386, 11856.183)(428.30484, 4110.584)(429.3055, 2155.14) 20 404.314 404.314@1.2425439 + 112.0906@1.1797882 1.1797882 (225.1838, 3342.19)(226.1807, 720.39)(242.2101, 1787.74)(113.09653, 1860.4026)(95.0856, 25691.95)(96.0886, 2140.99)(135.08014, 5451.35) 4 112.0906 112.0906@1.1797882 + C31 H43 N2 O2 S 1.2379308 [ C31 H43 N2 O2 S, mfg=94.08, overall=94.08 ] (508.31256, 12649.004)(509.3155, 4070.7092)(510.31635, 1582.856)(490.3003, 1851.26) 36 507.3052 C31 H43 N2 O2 S + 435.248@1.274153 1.274153 (436.25772, 4154.402)(437.25616, 1934.3685)(438.253, 1710.4)(418.2446, 1269.35)(458.24097, 2556.1902)(459.2413, 1376.39) 7 435.248 435.248@1.274153 + 443.3221@1.2006217 1.2006217 (444.33078, 5138.1733)(445.33432, 2603.6768)(461.3568, 2998.3) 3 443.3221 443.3221@1.2006217 + C10 H20 N5 1.2419436 [ C10 H20 N5, mfg=82.29, overall=82.29 ] (438.37827, 48577.04)(439.38153, 12880.367)(211.17677, 44269.953)(212.18051, 10057.771)(213.18352, 1632.9668)(233.15645, 3142.13) 22 210.1669 C10 H20 N5 + C13 H36 Cl N8 O2 1.2323891 [ C13 H36 Cl N8 O2, mfg=47.34, overall=47.34 ] (372.2738, 12839.143)(373.28027, 6255.106)(374.285, 2317.26)(394.25452, 7687.79) 25 371.2665 C13 H36 Cl N8 O2 + alpha-Ionone 1.2345767 C12286 alpha-Ionone [ C13 H20 O, mfg=80.40, db=70.92, overall=75.66, CAS ID=127-41-3, KEGG ID=C12286, METLIN ID=69412 ] 127-41-3 (385.2997, 17529.76)(386.2932, 4666.68)(402.3414, 2379.64)(407.2914, 3103.5166)(193.1581, 18762.621)(194.15924, 3590.1736)(175.14796, 11866.229)(176.15108, 2323.8691)(210.1846, 2357.29)(215.13843, 8686.61) 31 192.1513 alpha-Ionone + C14 H27 N O2 1.2471339 [ C14 H27 N O2, mfg=75.17, overall=75.17 ] (242.211, 24121.436)(243.21283, 5140.321)(259.2384, 2751.78)(264.1912, 3421.461) 22 241.2039 C14 H27 N O2 + C18 H39 N S2 1.2396004 [ C18 H39 N S2, mfg=74.61, overall=74.61 ] (689.4936, 943.05005)(334.25854, 36277.95)(335.27, 11675.248)(336.25647, 4749.249)(356.2405, 3253.34) 37 333.2512 C18 H39 N S2 + C13 H25 N O2 + 1.2390875 1.2390875 [ C13 H25 N O2, mfg=99.74, overall=99.74 ] (228.19597, 733209.9)(229.1992, 106589.695)(230.20306, 12929.119)(231.20476, 1727.3833)(250.1775, 58365.348)(251.18025, 15605.649) 33 227.1886 C13 H25 N O2 + 1.2390875 + 164.1558@1.2417554 1.2417554 (165.16309, 2594.0737) 8 164.1558 164.1558@1.2417554 + C21 H39 N O S 1.2415756 [ C21 H39 N O S, mfg=70.66, overall=70.66 ] (354.2832, 15968.379)(355.28598, 4293.6206)(356.27878, 3581.272)(336.2764, 2877.59)(376.26587, 2893.8467) 33 353.2762 C21 H39 N O S + C15 H37 N4 O4 1.2396605 [ C15 H37 N4 O4, mfg=83.10, overall=83.10 ] (338.28876, 18383.748)(339.29147, 3962.685)(360.27182, 1875.4634) 26 337.2819 C15 H37 N4 O4 + C25 H51 N8 O 1.2399025 [ C25 H51 N8 O, mfg=74.85, overall=74.85 ] (480.42517, 8812.956)(481.4276, 3228.3875) 31 479.4183 C25 H51 N8 O + 344.1985@1.2389364 1.2389364 (345.20514, 10025.002)(346.20645, 5648.3) 8 344.1985 344.1985@1.2389364 + 222.1621@1.2303994 1.2303994 (445.3334, 1692.302)(467.3135, 1481.42)(223.16905, 8497.524)(224.16934, 1916.515)(240.19514, 9605.976) 14 222.1621 222.1621@1.2303994 + 565.4556@1.2441993 1.2441993 (566.463, 7429.4116)(567.4678, 3382.8652)(568.4722, 1591.886)(588.4392, 1207.285) 20 565.4556 565.4556@1.2441993 + C28 H53 N O S 1.2345749 [ C28 H53 N O S, mfg=93.99, overall=93.99 ] (452.39343, 22330.836)(453.3951, 6893.626)(454.39322, 1852.9775)(474.3793, 1316.42) 37 451.3865 C28 H53 N O S + C23 H45 N S2 1.2398481 [ C23 H45 N S2, mfg=86.07, overall=86.07 ] (400.30505, 12907.03)(401.30887, 4183.9194)(402.3065, 2211.335)(417.3316, 783.35)(422.28665, 6467.6875)(423.28455, 2855.8865)(424.29523, 3094.0298) 32 399.2976 C23 H45 N S2 + Cuscohygrine 1.2376783 C06521 Cuscohygrine [ C13 H24 N2 O, mfg=35.89, db=27.77, overall=31.83, CAS ID=454-14-8, KEGG ID=C06521, METLIN ID=3362 ] 454-14-8 (466.4091, 10064.708)(467.41226, 2955.4194)(468.3993, 1884.84) 20 465.4013 Cuscohygrine + Dihomo-?-linolenoyl-EA 1.2450869 C13828 Dihomo-?-linolenoyl-EA [ C22 H39 N O2, mfg=83.28, db=83.19, overall=83.23, CAS ID=, Lipid ID=LMFA08040011, KEGG ID=C13828, METLIN ID=36745 ] (350.30505, 28804.396)(351.30838, 7661.5503)(367.3304, 3523.6953) 36 349.298 Dihomo-?-linolenoyl-EA + LMFA08040011 C4 H8 N2 O4 S 1.2416977 [ C4 H8 N2 O4 S, mfg=87.25, overall=87.25 ] (181.02621, 145849.17)(182.02951, 8900.832)(183.03122, 1882.369)(198.05276, 107113.33)(199.05629, 6814.7676)(200.05809, 1656.695)(203.00809, 13998.047)(204.01138, 1072.094)(205.00494, 733.79004) 32 180.019 C4 H8 N2 O4 S + 386.3078@1.2525314 1.2525314 (773.6076, 846.24)(387.31296, 8701.826)(388.3102, 3186.2974)(389.3025, 1645.15) 12 386.3078 386.3078@1.2525314 + 411.3185@1.2338243 1.2338243 (412.3294, 5587.0586)(413.3339, 2500.428)(414.31708, 2587.805)(434.3049, 2617.8) 8 411.3185 411.3185@1.2338243 + 518.4799@1.244916 1.244916 (519.48737, 1757.101)(520.49, 1076.2037)(521.4943, 593.14) 12 518.4799 518.4799@1.244916 + 122.1094@1.2325188 1.2325188 (123.11665, 5541.885)(124.1187, 1124.97)(125.1059, 4769.96) 2 122.1094 122.1094@1.2325188 + C21 H42 Cl N6 O4 1.2464765 [ C21 H42 Cl N6 O4, mfg=73.37, overall=73.37 ] (478.30267, 6197.656)(479.30496, 2390.6787)(480.3011, 3846.9302)(495.33026, 1071.5)(500.2836, 1907.88) 33 477.2947 C21 H42 Cl N6 O4 + 3-oxo-dodecanoic acid 1.2423513 C02367 3-oxo-dodecanoic acid [ C12 H22 O3, mfg=47.12, db=55.91, overall=51.51, KEGG ID=C02367, METLIN ID=35781 ] (232.19038, 10126.597)(233.19264, 3531.693)(234.18866, 1119.38) 19 231.183 3-oxo-dodecanoic acid + 506.2203@1.1926104 1.1926104 (507.2311, 1468.62)(508.2398, 525.33) 3 506.2203 506.2203@1.1926104 + C18 H46 Cl N9 1.2402091 [ C18 H46 Cl N9, mfg=83.49, overall=83.49 ] (424.36224, 42046.1)(425.3661, 11459.548)(426.35974, 15997.176)(427.36057, 6190.178)(428.371, 3872.82)(446.3405, 1390.73) 33 423.3551 C18 H46 Cl N9 + 372.2773@1.2497596 1.2497596 (373.28326, 15282.627)(374.2858, 6361.2666)(375.28152, 2676.0334)(395.2674, 2367.87) 16 372.2773 372.2773@1.2497596 + C28 H60 Cl N3 O4 1.244497 [ C28 H60 Cl N3 O4, mfg=69.68, overall=69.68 ] (538.4304, 8836.132)(539.43353, 3611.6821)(540.4402, 5431.0215)(541.44574, 2308.29)(542.44574, 1050.4767)(555.4609, 1159.16)(560.4109, 1640.25)(561.4208, 467.16)(562.4133, 323.75) 33 537.4225 C28 H60 Cl N3 O4 + C7 H10 + 1.2492744 1.2492744 [ C7 H10, mfg=82.35, overall=82.35 ] (189.16293, 2552.2566)(206.19028, 1146.4625)(95.08544, 12370.9375)(96.088104, 1382.0382)(117.06885, 1545.7849) 32 94.0781 C7 H10 + 1.2492744 + C18 H33 N O 1.2489129 [ C18 H33 N O, mfg=76.88, overall=76.88 ] (280.2633, 16715.281)(281.26538, 3896.3853)(282.2746, 1696.57)(297.2891, 1251.98)(302.2449, 6074.8247)(303.24805, 2821.525)(304.2468, 1937.225) 29 279.256 C18 H33 N O + C12 H23 N O 1.2475836 [ C12 H23 N O, mfg=87.22, overall=87.22 ] (198.18507, 81766.41)(199.18816, 11733.851)(220.16895, 1185.925) 36 197.1779 C12 H23 N O + 523.227@1.2535368 1.2535368 (524.2358, 1727.56)(525.2401, 723.00745) 4 523.227 523.227@1.2535368 + C12 H23 N4 O 1.2500983 [ C12 H23 N4 O, mfg=55.71, overall=55.71 ] (501.3671, 1426.84)(240.19566, 27909.09)(241.19125, 7816.354)(222.1845, 1508.83)(257.2225, 1730.8016)(262.1768, 5401.61) 26 239.1883 C12 H23 N4 O + C42 H85 N4 S3 1.1820766 [ C42 H85 N4 S3, mfg=77.07, overall=77.07 ] (742.6021, 3867.9292)(743.60724, 2041.8226)(744.58875, 1091.1871) 28 741.5924 C42 H85 N4 S3 + C15 H26 N4 O 1.246373 [ C15 H26 N4 O, mfg=47.59, overall=47.59 ] (557.419, 1476.34)(574.4613, 1081.77)(279.21777, 6645.496)(280.214, 2571.3718)(296.2444, 6166.39) 17 278.2125 C15 H26 N4 O + C20 H44 Cl N2 O S 1.2484398 [ C20 H44 Cl N2 O S, mfg=73.58, overall=73.58 ] (396.29507, 23271.895)(397.2991, 7664.1753)(398.2812, 14643.985)(399.2779, 3982.7668)(378.2836, 13731.09)(379.28842, 4320.7666)(380.27756, 6826.133)(418.27646, 2495.72) 33 395.2881 C20 H44 Cl N2 O S + 597.4784@1.2249612 1.2249612 (598.4831, 8597.161)(599.4942, 3780.1416)(600.4862, 3561.385) 6 597.4784 597.4784@1.2249612 + C29 H55 Cl2 N3 1.2114999 [ C29 H55 Cl2 N3, mfg=74.15, overall=74.15 ] (516.3869, 4929.141)(517.3885, 2470.692)(518.3825, 3146.7803)(519.3704, 1041.21)(520.3885, 1410.79)(498.375, 2131.13) 28 515.381 C29 H55 Cl2 N3 + C22 H45 N O3 1.2502178 [ C22 H45 N O3, mfg=99.17, overall=99.17 ] (765.66406, 1396.0901)(766.6718, 1346.98)(372.34677, 186792.8)(373.35016, 48649.65)(374.35336, 7227.3267)(375.35443, 1146.9326)(354.33597, 30237.053)(355.33914, 7728.8154)(356.3438, 1982.4161)(394.32993, 37622.934)(395.3333, 10080.866)(396.3298, 14108.379)(397.33612, 5474.689) 37 371.3397 C22 H45 N O3 + C29 H49 N5 S2 1.2505695 [ C29 H49 N5 S2, mfg=85.93, overall=85.93 ] (532.3499, 8341.783)(533.35297, 3165.786)(534.3509, 2067.6082)(554.3293, 877.9) 31 531.3424 C29 H49 N5 S2 + 271.2496@1.2417877 1.2417877 (272.25583, 5338.164)(273.25244, 4547.225)(294.2396, 5419.44) 8 271.2496 271.2496@1.2417877 + C21 H35 N2 O2 1.2443864 [ C21 H35 N2 O2, mfg=59.05, overall=59.05 ] (712.5701, 611.99)(348.27573, 50888.91)(349.28458, 18377.441)(370.2584, 11653.16)(371.2611, 5496.0) 30 347.2673 C21 H35 N2 O2 + 270.147@1.2513431 1.2513431 (558.3298, 935.89)(271.1542, 17309.334)(272.15546, 4002.0952)(288.1805, 24368.697)(293.1376, 1438.15) 3 270.147 270.147@1.2513431 + C12 H24 O S 1.2558851 [ C12 H24 O S, mfg=71.88, overall=71.88 ] (217.16168, 13995.18)(218.16574, 2850.0796)(219.1659, 2036.15) 31 216.1544 C12 H24 O S + C15 H37 N4 O S2 + 1.2526774 1.2526774 [ C15 H37 N4 O S2, mfg=64.56, overall=64.56 ] (707.4879, 860.89)(354.25043, 15293.803)(355.2506, 5126.6294)(356.24368, 2380.9626)(376.23398, 3130.1072) 33 353.2434 C15 H37 N4 O S2 + 1.2526774 + 493.3592@1.2528877 1.2528877 (494.36523, 6368.136)(495.36978, 2540.8933)(496.35464, 1831.83)(511.3922, 2001.78) 9 493.3592 493.3592@1.2528877 + 206.1553@1.2537255 1.2537255 (430.3474, 1080.7)(207.16353, 124501.266)(208.16513, 26173.336)(209.15608, 10796.779)(224.18571, 88422.27)(225.1877, 15293.35)(229.14716, 17292.14)(230.14514, 3450.99) 21 206.1553 206.1553@1.2537255 + C32 H67 Cl N3 O2 1.2494574 [ C32 H67 Cl N3 O2, mfg=67.63, overall=67.63 ] (561.4979, 3270.3926)(562.5003, 1564.7834)(563.50476, 1692.5908) 27 560.4906 C32 H67 Cl N3 O2 + C27 H51 N O7 1.2496865 [ C27 H51 N O7, mfg=92.47, overall=92.47 ] (502.37344, 34427.45)(503.37695, 10448.635)(504.3777, 3777.5225)(519.3998, 3036.975)(520.409, 2738.26) 34 501.3661 C27 H51 N O7 + C27 H55 N O4 S2 1.2522647 [ C27 H55 N O4 S2, mfg=73.27, overall=73.27 ] (522.36426, 8075.21)(523.366, 3539.0093)(524.36566, 2763.9854)(539.3852, 1581.31)(544.34607, 1508.3885)(545.3478, 979.875) 36 521.3573 C27 H55 N O4 S2 + 269.2003@1.2549338 1.2549338 (556.438, 1460.93)(561.3982, 2240.72)(270.2083, 8284.198)(271.20377, 4137.454)(287.23126, 1398.3201)(292.1899, 1417.25) 22 269.2003 269.2003@1.2549338 + C28 H46 Cl N7 O2 1.2521626 [ C28 H46 Cl N7 O2, mfg=78.03, overall=78.03 ] (548.3442, 7884.6714)(549.34753, 3039.9805)(550.3547, 2519.2527)(551.3508, 1201.46)(552.3508, 599.46)(530.33545, 1296.65)(570.3257, 925.495)(571.3446, 882.26) 37 547.3365 C28 H46 Cl N7 O2 + C12 H23 N O2 1.2527026 [ C12 H23 N O2, mfg=98.89, overall=98.89 ] (427.3563, 1575.3165)(444.37668, 1274.4844)(445.379, 1189.21)(449.3351, 1921.908)(214.18028, 235178.66)(215.18355, 34362.79)(216.19072, 4314.8022)(231.2094, 1408.6)(236.1621, 17262.47)(237.16287, 5360.094) 37 213.173 C12 H23 N O2 + 396.3306@1.262402 1.262402 (793.66925, 942.6)(397.33807, 4811.104)(398.351, 337.03)(399.3283, 957.06)(419.3186, 3267.2532) 17 396.3306 396.3306@1.262402 + C14 H37 N7 S2 1.2447238 [ C14 H37 N7 S2, mfg=65.86, overall=65.86 ] (752.5608, 4846.2915)(753.5621, 2508.1636)(754.54254, 1174.6367)(368.26407, 37838.6)(369.26447, 12757.336)(370.25528, 9410.896)(371.2591, 1829.91) 29 367.2568 C14 H37 N7 S2 + 345.1815@1.2511612 1.2511612 (346.19067, 5744.9434)(347.1874, 2563.0803)(363.2145, 3223.719)(368.17242, 1512.1025) 16 345.1815 345.1815@1.2511612 + 504.4623@1.2483267 1.2483267 (505.47006, 1105.18)(506.4723, 753.015) 3 504.4623 504.4623@1.2483267 + C15 H29 N O3 1.2537007 [ C15 H29 N O3, mfg=91.15, overall=91.15 ] (543.4392, 762.54)(272.2224, 26188.7)(273.2258, 5755.291)(274.2281, 1684.3566)(254.21138, 14929.894)(289.2496, 3706.8591)(290.2486, 1437.94)(291.2546, 3117.18) 34 271.2149 C15 H29 N O3 + 699.5503@1.2550569 1.2550569 (700.556, 4014.0942)(701.55444, 2380.2156)(702.5361, 1601.9724)(722.5362, 1221.46) 9 699.5503 699.5503@1.2550569 + Ruscopine 1.2542356 C08510 Ruscopine [ C16 H26 N4 O2, mfg=77.43, db=76.97, overall=77.20, CAS ID=3912-65-0, KEGG ID=C08510, METLIN ID=67031 ] 3912-65-0 (635.399, 812.16)(307.2113, 17899.57)(308.21323, 8494.717)(309.20605, 7295.44)(289.20074, 18662.38)(290.20273, 6294.3784)(291.19843, 4125.0117)(324.23804, 200737.1)(325.24115, 35191.29)(326.2327, 10935.465)(329.1944, 5033.094)(330.19437, 2446.0085)(331.19037, 2601.2202) 36 306.2042 Ruscopine + Propofol 1.2552315 C07523 Propofol [ C12 H18 O, mfg=47.01, db=33.76, overall=40.38, CAS ID=2078-54-8, KEGG ID=C07523, METLIN ID=2155 ] 2078-54-8 (179.14258, 6495.8066)(180.14072, 2564.5056)(161.13216, 4177.957)(162.13075, 1114.7474)(196.16924, 2101.1985) 25 178.1354 Propofol + Dodecanedioic acid 1.2545176 C02678 Dodecanedioic acid [ C12 H22 O4, mfg=46.84, db=38.85, overall=42.85, CAS ID=693-23-2, Lipid ID=LMFA01170009, KEGG ID=C02678, HMP ID=HMDB00623, METLIN ID=5596 ] 693-23-2 (461.31573, 1374.575)(483.2976, 1665.3125)(231.15964, 21668.578)(232.1602, 4811.0796)(233.15555, 4779.6113)(234.1564, 2659.85)(213.14766, 8295.365)(248.1852, 1593.9336) 21 230.1519 Dodecanedioic acid HMDB00623 + LMFA01170009 C21 H37 N2 O4 1.2542338 [ C21 H37 N2 O4, mfg=84.14, overall=84.14 ] (763.5651, 818.265)(780.58276, 1491.54)(785.5506, 710.09)(382.2826, 55962.438)(383.2858, 13584.422)(364.2743, 16879.725)(365.27682, 5361.0386)(404.26624, 4012.8474)(405.2707, 2431.05) 36 381.2752 C21 H37 N2 O4 + 405.2861@1.2404951 1.2404951 (828.6111, 800.6)(406.29712, 8676.858)(407.29465, 3260.41)(408.30652, 7091.3047)(409.30963, 2247.965)(428.2904, 3649.55) 8 405.2861 405.2861@1.2404951 + 188.1439@1.254 1.254 (189.1507, 6924.33)(190.1548, 2299.95)(211.1331, 54117.54)(212.1377, 7938.7) 1 188.1439 188.1439@1.254 + C9 H18 O4 1.2553676 [ C9 H18 O4, mfg=54.21, overall=54.21 ] (381.25314, 3568.0)(398.27695, 11516.163)(399.27176, 4149.7373)(191.12831, 28797.227)(192.13472, 4136.633)(193.12018, 7682.814)(173.11765, 4811.915)(213.11086, 2858.3936) 31 190.1208 C9 H18 O4 + Heptanoic acid 1.2514364 C05799 Heptanoic acid [ C7 H14 O2, mfg=45.60, db=7.97, overall=26.79, CAS ID=111-14-8, Lipid ID=LMFA01010007, KEGG ID=C05799, HMP ID=HMDB00666, METLIN ID=5636 ] 111-14-8 (261.207, 860.15)(283.19067, 4332.3735)(131.10623, 10128.73)(132.1018, 8418.65)(113.09664, 1176.3766) 26 130.099 Heptanoic acid HMDB00666 + LMFA01010007 94.042@1.2525893 1.2525893 (206.11931, 2167.9333)(95.049126, 8538.9795)(96.04777, 1737.5101)(77.0385, 1966.38) 8 94.042 94.042@1.2525893 + C29 H55 N O2 S 1.2550262 [ C29 H55 N O2 S, mfg=90.96, overall=90.96 ] (482.40445, 29619.273)(483.40662, 9427.32)(484.4019, 2790.9766)(485.40027, 885.6) 37 481.3973 C29 H55 N O2 S + 264.1925@1.2566583 1.2566583 (265.19864, 5772.123)(282.22607, 4340.028) 13 264.1925 264.1925@1.2566583 + C37 H57 N O3 S2 1.255491 [ C37 H57 N O3 S2, mfg=79.62, overall=79.62 ] (628.3851, 5783.2217)(629.3892, 2693.8625)(630.3931, 1498.911) 36 627.3782 C37 H57 N O3 S2 + C25 H55 N14 1.25613 [ C25 H55 N14, mfg=47.12, overall=47.12 ] (552.4823, 7104.76)(553.4889, 4448.816)(554.4841, 2155.3901)(574.4621, 1098.6766) 31 551.4752 C25 H55 N14 + 276.1598@1.2552048 1.2552048 (553.3296, 985.25665)(277.16553, 10347.839)(278.16873, 4374.226)(279.1596, 3940.3345)(294.1944, 9933.331)(299.1493, 2407.1736) 27 276.1598 276.1598@1.2552048 + C41 H71 N S2 1.2546164 [ C41 H71 N S2, mfg=66.68, overall=66.68 ] (642.5131, 4986.437)(643.5077, 2670.695)(644.5039, 1409.1556)(664.49817, 2125.47) 26 641.5068 C41 H71 N S2 + 561.3547@1.161399 1.161399 (562.35547, 3440.8853)(563.3632, 2038.4)(564.3465, 1780.46) 4 561.3547 561.3547@1.161399 + C30 H57 N O2 S 1.2530817 [ C30 H57 N O2 S, mfg=89.00, overall=89.00 ] (496.42014, 18655.719)(497.42325, 5696.917)(498.41968, 2221.5652)(499.4032, 1292.55)(518.406, 1336.2067) 37 495.4129 C30 H57 N O2 S + C14 H27 N O3 1.2551895 [ C14 H27 N O3, mfg=78.91, overall=78.91 ] (515.4091, 864.7767)(532.43115, 1126.005)(537.38525, 1452.5875)(258.20636, 23947.816)(259.2085, 5176.7163)(260.204, 1505.6599)(240.19559, 19579.291)(280.1879, 5803.6055) 35 257.1989 C14 H27 N O3 + C23 H51 N6 O3 S 1.2377114 [ C23 H51 N6 O3 S, mfg=47.48, overall=47.48 ] (492.38004, 6491.872)(493.37772, 3222.416)(494.36694, 6212.5986)(495.36758, 2057.2593)(496.35336, 1890.8267)(474.3713, 1139.1)(514.364, 2527.6567)(515.3637, 1667.242)(516.3481, 1305.21) 31 491.3728 C23 H51 N6 O3 S + 681.5021@1.2466743 1.2466743 (682.5106, 1648.7859)(683.5177, 939.6125)(684.5072, 1294.52)(664.492, 2090.2)(704.4936, 1096.02)(705.4778, 779.24)(706.4712, 1202.44) 5 681.5021 681.5021@1.2466743 + 785.6176@1.2558138 1.2558138 (786.62445, 1551.36)(787.6188, 1158.575)(788.6061, 1633.65) 4 785.6176 785.6176@1.2558138 + 335.3181@1.2542113 1.2542113 (671.6444, 1052.3201)(336.32532, 27221.883)(337.32788, 7509.947)(338.33545, 2209.5024)(339.3367, 876.94) 11 335.3181 335.3181@1.2542113 + ?-Captrolactone 1.2557777 C01880 ?-Captrolactone [ C6 H10 O2, mfg=66.64, db=64.93, overall=65.79, CAS ID=502-44-3, KEGG ID=C01880, METLIN ID=44809 ] 502-44-3 (229.1439, 19893.42)(230.14502, 3741.1184)(231.13495, 1758.5668)(246.16994, 14911.893)(247.1705, 5076.55)(248.1596, 2948.32)(251.12753, 6572.882)(252.13115, 3068.3599)(115.075165, 18132.36)(116.072815, 3443.4187)(117.06945, 2096.9216)(97.064545, 5339.3984)(98.0615, 2035.58)(132.1021, 4245.88) 36 114.0679 ?-Captrolactone + 775.4669@1.2572751 1.2572751 (776.47375, 6625.944)(777.4774, 3730.22)(778.48126, 1383.9957)(798.4608, 703.0) 34 775.4669 775.4669@1.2572751 + 523.4436@1.2572584 1.2572584 (524.4503, 9501.847)(525.45715, 4740.6357)(526.4311, 8934.369)(527.4311, 3040.5576)(528.42444, 1061.95) 33 523.4436 523.4436@1.2572584 + 374.269@1.2593112 1.2593112 (375.2762, 2314.5513)(357.2638, 10850.89)(358.2608, 4228.15)(359.2739, 4544.4)(392.30487, 14933.114)(393.31146, 4645.504) 8 374.269 374.269@1.2593112 + C32 H57 S2 1.2567856 [ C32 H57 S2, mfg=69.88, overall=69.88 ] (506.39413, 8986.325)(507.39227, 3283.406)(508.38065, 7239.2803)(509.3871, 1113.45)(510.3972, 3608.35)(528.38116, 6697.6196)(529.37744, 2743.354)(530.3814, 2083.45) 20 505.3889 C32 H57 S2 + 278.1763@1.2557268 1.2557268 (279.1826, 5719.617)(296.2085, 11683.776)(297.2075, 3715.4185)(298.20065, 4072.875)(301.16556, 3464.5461)(302.16193, 1307.675) 7 278.1763 278.1763@1.2557268 + C27 H55 N8 O3 1.2491717 [ C27 H55 N8 O3, mfg=79.51, overall=79.51 ] (540.4449, 8224.789)(541.447, 3343.1904)(542.44476, 2213.69)(522.4361, 8497.95)(523.4394, 2892.94) 17 539.4382 C27 H55 N8 O3 + 322.2353@1.2554286 1.2554286 (323.24454, 6493.6226)(340.26895, 21659.281)(341.27197, 9407.389)(342.26746, 3538.5066) 7 322.2353 322.2353@1.2554286 + C30 H65 Cl2 N5 O 1.2625833 [ C30 H65 Cl2 N5 O, mfg=60.73, overall=60.73 ] (582.45874, 5210.2847)(583.4598, 2415.3044)(584.47107, 6418.4443)(585.46747, 2550.065)(586.4626, 865.4067)(604.44244, 1836.0026)(605.4359, 1513.39) 26 581.4522 C30 H65 Cl2 N5 O + 128.0881@1.2534502 1.2534502 (257.1857, 9206.01)(274.20218, 2813.3499)(129.09227, 2717.3586)(111.0803, 4530.755)(151.076, 3767.4) 7 128.0881 128.0881@1.2534502 + 753.5226@1.2568871 1.2568871 (754.53265, 2060.53)(755.5379, 1209.468)(756.5417, 869.09)(736.51874, 1926.2738)(737.52026, 1139.77)(738.5309, 2394.72)(739.5371, 2077.17)(740.547, 1227.3)(771.5554, 1518.2999)(772.5672, 988.84) 9 753.5226 753.5226@1.2568871 + C28 H53 N O2 S 1.2579633 [ C28 H53 N O2 S, mfg=89.76, overall=89.76 ] (468.389, 24173.12)(469.3911, 7313.7427)(470.3873, 2145.8276)(471.3734, 1461.76) 35 467.3818 C28 H53 N O2 S + C46 H87 Cl N O2 1.257059 [ C46 H87 Cl N O2, mfg=78.19, overall=78.19 ] (721.64435, 7561.8267)(722.6474, 3814.6877)(723.65857, 3934.8506)(724.66266, 1777.3372)(725.6703, 763.195)(703.6332, 1730.65)(704.6316, 1157.73)(705.6483, 2507.59)(706.651, 1611.91)(743.62524, 3007.289)(744.6246, 2276.0547)(745.6402, 2514.6934)(746.6441, 1565.974)(747.6492, 1066.5199) 32 720.6369 C46 H87 Cl N O2 + 706.6573@1.2584413 1.2584413 (707.6648, 4351.8716)(708.6683, 2190.1199)(709.6716, 2126.94)(689.6508, 1625.96)(690.6575, 943.83)(729.64734, 3157.6172)(730.6498, 1841.1044)(731.65076, 1198.13) 13 706.6573 706.6573@1.2584413 + C31 H58 Cl N2 O 1.2511812 [ C31 H58 Cl N2 O, mfg=68.69, overall=68.69 ] (510.43362, 8811.408)(511.4378, 3301.7297)(512.423, 5464.14)(513.429, 1808.9667)(514.4323, 1237.152) 16 509.4285 C31 H58 Cl N2 O + C28 H43 N2 S 1.2578405 [ C28 H43 N2 S, mfg=88.44, overall=88.44 ] (440.32254, 19649.955)(441.32547, 6491.0293)(442.3252, 3424.1582)(443.3201, 788.81)(462.30225, 2144.488) 33 439.3151 C28 H43 N2 S + 407.2998@1.2548959 1.2548959 (408.3125, 5785.08)(409.31085, 2423.816)(410.32, 5616.32) 5 407.2998 407.2998@1.2548959 + 750.6118@1.2594768 1.2594768 (751.6176, 2617.5117)(752.62054, 1790.6183)(753.6325, 3450.1516)(754.63586, 1766.1461)(755.63794, 1120.9125)(733.60846, 1267.9099)(773.60516, 1501.2433)(774.5964, 950.9)(775.6143, 2492.14)(776.6163, 1053.03)(777.6306, 740.49) 6 750.6118 750.6118@1.2594768 + C20 H41 N O3 1.2582954 [ C20 H41 N O3, mfg=95.61, overall=95.61 ] (709.6041, 1072.8389)(710.59985, 944.835)(344.31543, 22712.324)(345.31845, 5265.908)(346.32257, 1484.5015)(326.30478, 6570.638)(327.3061, 1852.3892)(361.339, 582.15)(366.29965, 19619.629)(367.30283, 5930.2485)(368.308, 11634.15) 36 343.308 C20 H41 N O3 + 781.0771@1.2704219 1.2704219 (782.0856, 3885.7236)(783.0887, 1122.3875) 16 781.0771 781.0771@1.2704219 + C34 H73 N6 O4 S2 1.2637445 [ C34 H73 N6 O4 S2, mfg=92.34, overall=92.34 ] (694.5206, 10446.544)(695.5241, 3950.6282)(696.5216, 1303.1641)(676.5105, 1345.1)(711.5464, 623.1) 27 693.5134 C34 H73 N6 O4 S2 + C29 H59 N O5 S2 1.2652448 [ C29 H59 N O5 S2, mfg=87.07, overall=87.07 ] (566.3906, 9676.142)(567.39374, 3681.8003)(568.3955, 1975.7491)(588.3743, 1192.475)(589.37366, 1062.64) 34 565.3833 C29 H59 N O5 S2 + 734.6175@1.2583393 1.2583393 (735.6253, 3904.2437)(736.627, 2112.814)(737.6389, 5956.2114)(738.6427, 3124.756)(739.652, 2740.462)(740.65674, 1249.94)(717.60986, 1635.832)(718.6129, 1015.9225)(719.627, 2665.4766)(720.63184, 1792.415)(757.6069, 1462.3099) 15 734.6175 734.6175@1.2583393 + PE(22:4(7Z,10Z,13Z,16Z)/19:0) 1.265828 PE(22:4(7Z,10Z,13Z,16Z)/19:0) [ C46 H84 N O8 P, db=78.75, overall=78.75, Lipid ID=LMGP02011119, METLIN ID=77354 ] (810.6023, 3210.9465)(811.60376, 1778.7317)(812.5949, 746.24664)(792.594, 965.885)(793.616, 1066.67) 18 809.5951 PE(22:4(7Z,10Z,13Z,16Z)/19:0) + LMGP02011119 839.1204@1.2594165 1.2594165 (840.12714, 1630.9834)(841.1309, 635.55) 3 839.1204 839.1204@1.2594165 + C37 H73 N S3 1.2573792 [ C37 H73 N S3, mfg=72.65, overall=72.65 ] (628.4986, 5785.692)(629.4989, 2720.5527)(630.48865, 1588.5348)(610.48834, 6574.672)(611.4965, 4833.7305)(612.50037, 2432.064)(645.518, 851.56)(650.47687, 1292.742) 34 627.492 C37 H73 N S3 + 752.0577@1.269382 1.269382 (753.0645, 5672.5913)(754.06805, 1352.804) 18 752.0577 752.0577@1.269382 + C20 H42 Cl N2 S 1.2592157 [ C20 H42 Cl N2 S, mfg=70.26, overall=70.26 ] (755.55853, 6486.719)(756.56604, 3492.4712)(757.56995, 2556.0276)(378.28384, 16329.406)(379.29044, 5020.8374)(380.2768, 6696.4688)(360.27338, 3779.8325)(361.27435, 1626.06)(400.26535, 2691.73) 27 377.2771 C20 H42 Cl N2 S + 451.3047@1.2564502 1.2564502 (452.30646, 3023.645)(453.30826, 1727.77) 4 451.3047 451.3047@1.2564502 + 13(S)-HpODE 1.2239071 C04717 13(S)-HpODE [ C18 H32 O4, mfg=62.28, db=47.15, overall=54.71, CAS ID=33964-75-9, Lipid ID=LMFA02000034, KEGG ID=C04717, METLIN ID=36036 ] 33964-75-9 (642.4948, 5382.73)(643.4937, 3886.25)(644.5034, 4892.81)(647.4521, 1203.1934)(313.23694, 22058.383)(314.2384, 7505.424)(315.23807, 2285.8787)(295.2264, 36226.78)(330.26382, 4949.001)(335.21997, 17584.252)(336.2206, 8412.435) 36 312.2298 13(S)-HpODE + LMFA02000034 559.4067@1.241625 1.241625 (560.4144, 5241.9014)(561.41693, 2611.0205)(562.41394, 3569.4424)(563.413, 2507.99)(564.4223, 3135.83)(582.39514, 1863.1566)(583.3919, 1326.15) 15 559.4067 559.4067@1.241625 + 266.1568@1.2563987 1.2563987 (267.16635, 16749.26)(268.1764, 7147.74) 3 266.1568 266.1568@1.2563987 + 426.1709@1.2733829 1.2733829 (427.17807, 2178.6519)(428.1848, 1044.6367) 5 426.1709 426.1709@1.2733829 + C22 H48 Cl N7 O2 1.259563 [ C22 H48 Cl N7 O2, mfg=69.00, overall=69.00 ] (955.7119, 947.31)(478.3644, 11910.355)(479.36493, 4055.0952)(480.3572, 3216.4558)(460.35236, 1205.89)(461.3575, 177.33)(462.3502, 3344.63)(463.3494, 1042.97)(500.3458, 3942.1116)(501.3478, 1808.043) 36 477.3576 C22 H48 Cl N7 O2 + 363.3345@1.161848 1.161848 (364.34525, 16296.607)(365.34885, 4089.2522)(366.3386, 2260.77)(386.3259, 25071.18) 9 363.3345 363.3345@1.161848 + 338.3308@1.2557551 1.2557551 (339.33765, 1949.1266) 3 338.3308 338.3308@1.2557551 + 763.5458@1.2586198 1.2586198 (764.5502, 1885.7501)(765.5577, 1305.1444)(766.54913, 1863.9519)(767.54895, 1530.7051)(768.5408, 528.57)(781.58215, 4946.0103)(782.57874, 3202.1858)(783.58453, 2314.3396)(786.53186, 935.424) 22 763.5458 763.5458@1.2586198 + C25 H13 N11 O14 S 1.2681606 [ C25 H13 N11 O14 S, mfg=65.32, overall=65.32 ] (724.04364, 6305.214)(725.04675, 1453.3591) 28 723.0364 C25 H13 N11 O14 S + 585.5147@1.2636755 1.2636755 (586.52026, 2413.6406)(587.5241, 1210.8682)(568.5065, 1340.21)(608.50305, 2152.1575) 18 585.5147 585.5147@1.2636755 + C39 H75 N S3 1.2842486 [ C39 H75 N S3, mfg=47.60, overall=47.60 ] (654.51385, 2715.4968)(655.5172, 1573.6415)(656.52856, 2084.8232)(657.5277, 1980.66)(676.4955, 790.04504) 20 653.5074 C39 H75 N S3 + C18 H36 N3 O4 1.2705902 [ C18 H36 N3 O4, mfg=46.79, overall=46.79 ] (739.52747, 2927.825)(740.5464, 2227.05)(741.5407, 1575.89)(359.27548, 4994.893)(360.2742, 2235.7656)(361.2752, 1448.57)(381.26035, 3494.6868) 14 358.2715 C18 H36 N3 O4 + C19 H38 N2 O 1.2620518 [ C19 H38 N2 O, mfg=69.30, overall=69.30 ] (311.30515, 6169.3843)(312.30978, 1907.1664)(313.31006, 1307.875) 23 310.2978 C19 H38 N2 O + C20 H43 N4 O3 1.2607263 [ C20 H43 N4 O3, mfg=94.23, overall=94.23 ] (388.34137, 31006.25)(389.34482, 7624.9365)(390.34622, 2122.4912)(391.3496, 839.58) 37 387.3341 C20 H43 N4 O3 + 739.5362@1.2151191 1.2151191 (740.5433, 1347.91)(741.5403, 902.15) 3 739.5362 739.5362@1.2151191 + 661.489@1.2569201 1.2569201 (662.4931, 1856.985)(663.5045, 957.24)(664.4951, 1688.1) 6 661.489 661.489@1.2569201 + 816.6321@1.2611506 1.2611506 (817.6373, 1260.05)(818.6271, 1092.635)(839.624, 1883.8049)(840.62585, 1191.54) 2 816.6321 816.6321@1.2611506 + C15 H31 N3 O3 1.2629083 [ C15 H31 N3 O3, mfg=58.50, overall=58.50 ] (603.4855, 1682.17)(620.5049, 3052.04)(621.5105, 1559.59)(625.46735, 1396.41)(302.24472, 6108.093)(303.24655, 2141.458)(304.2466, 2615.4214) 27 301.2373 C15 H31 N3 O3 + 772.5963@1.2589531 1.2589531 (773.6055, 2975.4739)(774.5984, 2756.74)(775.615, 4547.65)(776.61285, 2110.005)(777.6232, 1857.1799) 5 772.5963 772.5963@1.2589531 + C11 H21 N O2 1.2601863 [ C11 H21 N O2, mfg=94.55, overall=94.55 ] (399.32095, 3158.85)(200.16457, 111104.24)(201.16757, 14642.683)(202.17792, 3354.1138)(222.1472, 8767.013)(223.1396, 2524.15) 37 199.1572 C11 H21 N O2 + C32 H66 N16 O S 1.2649735 [ C32 H66 N16 O S, mfg=92.81, overall=92.81 ] (723.54095, 7933.842)(724.54364, 3285.0005)(725.53766, 1118.6437) 30 722.5318 C32 H66 N16 O S + PE(20:3(8Z,11Z,14Z)/P-18:1(9Z)) 1.2716798 C00350 PE(20:3(8Z,11Z,14Z)/P-18:1(9Z)) [ C43 H78 N O7 P, db=76.59, overall=76.59, KEGG ID=C00350, HMP ID=HMDB09381, METLIN ID=60777 ] (752.5625, 5941.0513)(753.5645, 3244.886)(754.55023, 1374.5599)(774.5371, 729.6) 25 751.5549 PE(20:3(8Z,11Z,14Z)/P-18:1(9Z)) HMDB09381 + C24 H54 N23 1.2680036 [ C24 H54 N23, mfg=95.83, overall=95.83 ] (665.50006, 11788.548)(666.5027, 4518.1353)(667.5043, 1173.8318)(647.486, 1340.41)(682.5183, 1476.27)(683.5029, 666.01) 29 664.4928 C24 H54 N23 + C20 H39 N4 O 1.2599431 [ C20 H39 N4 O, mfg=83.93, overall=83.93 ] (703.6326, 1408.905)(704.63336, 1195.2999)(705.6485, 2934.2566)(706.6489, 1846.3601)(725.6133, 816.0)(352.31985, 59071.285)(353.32343, 14909.824)(334.30966, 10031.88)(335.30875, 3913.058)(369.3463, 2244.3845)(374.2976, 880.86) 37 351.3129 C20 H39 N4 O + C19 H11 O21 S 1.2662419 [ C19 H11 O21 S, mfg=65.38, overall=65.38 ] (607.9593, 11132.198)(608.9626, 1685.657) 24 606.9523 C19 H11 O21 S + 525.4226@1.2604954 1.2604954 (526.4307, 11864.663)(527.4295, 4112.112)(528.42456, 1691.1381) 12 525.4226 525.4226@1.2604954 + C12 H26 N3 O S 1.2019168 [ C12 H26 N3 O S, mfg=47.57, overall=23.79 ] (538.3933, 4263.09)(261.18158, 6587.482)(262.1741, 4079.71)(263.169, 3328.35)(278.2091, 1556.85) 20 260.1742 C12 H26 N3 O S + C23 H13 N4 O18 S 1.263228 [ C23 H13 N4 O18 S, mfg=63.71, overall=63.71 ] (666.0016, 11170.148)(667.0046, 1841.1624) 20 664.9945 C23 H13 N4 O18 S + C32 H65 N3 O9 1.2654854 [ C32 H65 N3 O9, mfg=93.74, overall=93.74 ] (636.4789, 14336.055)(637.4839, 5017.963)(638.4821, 1560.0874)(618.4709, 1900.69)(653.5044, 1227.02) 27 635.4717 C32 H65 N3 O9 + C24 H14 N4 O21 1.2653416 [ C24 H14 N4 O21, mfg=67.62, overall=67.62 ] (695.02234, 8962.992)(696.025, 1573.7294) 21 694.0156 C24 H14 N4 O21 + C33 H64 N5 O5 1.2630941 [ C33 H64 N5 O5, mfg=47.53, overall=47.53 ] (611.49835, 5247.405)(612.5013, 2935.657)(613.4975, 4090.51)(593.48846, 3334.8062)(594.48987, 1939.276)(595.50354, 8266.855)(596.50684, 5069.32)(597.5185, 8929.165)(633.4802, 2113.2405) 22 610.4913 C33 H64 N5 O5 + 896.6624@1.2592127 1.2592127 (897.6677, 1310.9851)(898.6708, 1062.765) 2 896.6624 896.6624@1.2592127 + C45 H55 N2 O S 1.2617667 [ C45 H55 N2 O S, mfg=89.02, overall=89.02 ] (672.41095, 7129.5737)(673.4143, 3497.056)(674.4197, 1476.5865) 17 671.4037 C45 H55 N2 O S + 566.4978@1.2650374 1.2650374 (567.5052, 3917.7905)(568.5081, 1444.3428)(569.4879, 2161.2651)(549.4967, 1311.8301)(550.4997, 1024.83)(551.4771, 3596.75)(589.4872, 1468.6533) 14 566.4978 566.4978@1.2650374 + Staphidine 1.271624 C08712 Staphidine [ C42 H58 N2 O, mfg=73.57, db=73.65, overall=73.61, CAS ID=59588-15-7, KEGG ID=C08712, METLIN ID=67146 ] 59588-15-7 (607.45917, 14009.556)(608.4647, 5397.576)(609.4768, 2114.197)(589.4509, 1890.97) 31 606.4513 Staphidine + C25 H57 N17 1.2616227 [ C25 H57 N17, mfg=62.17, overall=62.17 ] (596.5055, 8828.669)(597.4989, 1296.442)(598.5114, 258.52) 15 595.5009 C25 H57 N17 + C29 H51 N4 O4 1.257195 [ C29 H51 N4 O4, mfg=77.78, overall=77.78 ] (520.3989, 8312.207)(521.4007, 2741.5393)(537.4129, 4638.0)(538.4211, 2342.37) 23 519.3986 C29 H51 N4 O4 + C24 H46 N5 O2 1.2627181 [ C24 H46 N5 O2, mfg=71.46, overall=71.46 ] (437.3725, 5249.4033)(438.3768, 8899.63)(439.3796, 1731.96)(459.3545, 4300.44)(460.3576, 1411.23)(461.3621, 1075.54) 15 436.3658 C24 H46 N5 O2 + 479.2722@1.260287 1.260287 (480.2823, 12635.806)(481.28387, 4620.607)(482.28345, 2548.245)(462.26877, 3169.5999)(463.2717, 1395.9) 7 479.2722 479.2722@1.260287 + C21 H8 N4 O20 1.263356 [ C21 H8 N4 O20, mfg=71.24, overall=71.24 ] (636.98047, 11185.287)(637.9826, 1915.1729) 25 635.9733 C21 H8 N4 O20 + C32 H69 Cl N3 O3 1.2629464 [ C32 H69 Cl N3 O3, mfg=87.98, overall=87.98 ] (579.50867, 18917.26)(580.51166, 7584.7905)(581.5147, 7913.7285)(582.52325, 2532.5398)(601.4881, 3393.1587)(602.49005, 1785.9346)(603.4798, 2534.854) 25 578.5011 C32 H69 Cl N3 O3 + C35 H60 N6 1.2646941 [ C35 H60 N6, mfg=47.36, overall=47.36 ] (565.49274, 8337.709)(566.49274, 5417.061)(567.50244, 4551.226)(568.5071, 3110.84)(547.48285, 2495.1597)(548.4842, 1988.16)(549.4962, 2811.31)(582.52216, 3042.8022)(587.4728, 2426.5422)(588.4725, 1493.4227)(589.472, 1609.0178) 29 564.4863 C35 H60 N6 + C11 H26 N3 S2 1.2612575 [ C11 H26 N3 S2, mfg=47.59, overall=47.59 ] (265.164, 14566.923)(247.15533, 9896.948)(248.15872, 3489.1228)(249.1475, 4106.74)(282.19183, 11654.499)(283.19043, 5520.4175)(284.18256, 4563.1045)(287.148, 3484.3425)(288.1495, 3464.42) 25 264.1576 C11 H26 N3 S2 + 435.3127@1.2592118 1.2592118 (436.32233, 4369.8525)(437.3254, 2034.7925)(438.3201, 3610.2136)(439.3114, 2897.86) 4 435.3127 435.3127@1.2592118 + C31 H65 N2 O S3 1.2601981 [ C31 H65 N2 O S3, mfg=80.99, overall=80.99 ] (578.43536, 13118.526)(579.43756, 3853.3027)(580.42694, 2913.5996)(581.4328, 946.47)(595.4642, 1668.35) 31 577.429 C31 H65 N2 O S3 + 738.5291@1.2606452 1.2606452 (739.53613, 2639.1821)(740.5465, 1797.8025)(741.5435, 1258.63)(761.5166, 1231.53)(762.5377, 1483.61) 5 738.5291 738.5291@1.2606452 + cholesteryl beta-D-glucoside 1.2646005 C03855 cholesteryl beta-D-glucoside [ C33 H56 O6, mfg=80.79, db=80.86, overall=80.82, Lipid ID=LMST01010173, KEGG ID=C03855, METLIN ID=57618 ] (549.41565, 14511.746)(550.41595, 4264.248)(551.41766, 1502.235) 18 548.4085 cholesteryl beta-D-glucoside + LMST01010173 68.0624@1.173707 1.173707 (137.13205, 2400.2075)(69.06976, 3538.8596)(70.0736, 851.08)(91.05403, 15959.284)(92.05828, 1702.2799) 17 68.0624 68.0624@1.173707 + C15 H4 O17 S2 1.2687178 [ C15 H4 O17 S2, mfg=57.40, overall=57.40 ] (520.89636, 5470.934)(521.8963, 1058.1666) 16 519.8887 C15 H4 O17 S2 + C27 H56 N14 O2 1.2065303 [ C27 H56 N14 O2, mfg=67.14, overall=67.14 ] (609.47784, 3636.9255)(610.4762, 3537.465)(611.4724, 1325.9)(591.4712, 2923.74)(592.4788, 2493.52)(626.5083, 2860.71)(627.5006, 1076.4)(631.4562, 1654.77) 14 608.4767 C27 H56 N14 O2 + C16 H34 O2 S2 1.2626446 [ C16 H34 O2 S2, mfg=93.73, overall=93.73 ] (645.4007, 819.2575)(662.4291, 885.41003)(323.20612, 28264.352)(324.2095, 7095.8887)(325.20706, 2568.0212)(305.1984, 9168.657)(306.1962, 5289.5)(340.23346, 37877.63)(341.2356, 7863.1743)(342.2302, 3053.1362)(345.19113, 4104.7397) 37 322.1994 C16 H34 O2 S2 + 449.2663@1.2509311 1.2509311 (450.27286, 3044.2046)(451.27295, 1431.666)(452.2645, 1554.91)(467.303, 1475.5) 9 449.2663 449.2663@1.2509311 + C18 H2 N4 O19 1.2704251 [ C18 H2 N4 O19, mfg=71.12, overall=71.12 ] (578.93854, 9537.756)(579.9396, 1405.4725) 25 577.9309 C18 H2 N4 O19 + 497.2821@1.2544622 1.2544622 (498.28918, 12884.601)(499.2977, 7640.37)(500.2921, 3105.7068)(480.28152, 13679.26)(481.2856, 5272.305)(482.28278, 3687.555) 11 497.2821 497.2821@1.2544622 + C17 H46 Cl N12 1.2687507 [ C17 H46 Cl N12, mfg=73.49, overall=73.49 ] (454.37112, 17148.98)(455.3752, 5158.91)(456.3693, 3941.9465)(457.3762, 2338.78)(476.35635, 1677.13) 27 453.3611 C17 H46 Cl N12 + Caproic acid 1.2912201 C01585 Caproic acid [ C6 H12 O2, mfg=49.97, db=49.93, overall=49.95, CAS ID=142-62-1, Lipid ID=LMFA01010006, KEGG ID=C01585, METLIN ID=111 ] 142-62-1 (233.1739, 1584.27)(255.1548, 2184.255)(117.09091, 8938.024)(118.08787, 1586.9933)(99.08005, 868.68494)(134.1173, 2869.4) 16 116.0837 Caproic acid + LMFA01010006 576.4747@1.1748512 1.1748512 (577.486, 6766.382)(578.4853, 3980.5605)(579.4944, 9096.14)(594.5246, 2108.66)(599.4627, 1673.87) 19 576.4747 576.4747@1.1748512 + C35 H69 Cl N4 O 1.2660762 [ C35 H69 Cl N4 O, mfg=78.73, overall=78.73 ] (597.5183, 12112.864)(598.51514, 5655.972)(599.5088, 2410.064)(600.503, 425.85)(579.50885, 10749.368)(580.5113, 4407.0244)(581.5153, 4757.995)(582.5256, 2826.5725)(614.54443, 914.705)(619.5008, 5681.715)(620.5012, 2816.4373)(621.5021, 1823.1002) 30 596.5115 C35 H69 Cl N4 O + C11 H19 N O2 1.3611726 [ C11 H19 N O2, mfg=84.24, overall=84.24 ] (395.29, 1121.02)(198.14948, 52470.438)(199.15216, 9320.811)(200.1626, 1942.595)(215.17674, 1050.6334)(220.13327, 11154.268)(221.13295, 4498.815) 16 197.1417 C11 H19 N O2 + 201.1718@1.2656115 1.2656115 (425.3319, 2626.46)(202.17888, 4321.994)(203.18, 1248.8018)(224.1624, 3695.4968) 15 201.1718 201.1718@1.2656115 + 700.1854@1.2584766 1.2584766 (701.1944, 1181.5167)(702.21045, 327.03) 3 700.1854 700.1854@1.2584766 + 616.4762@1.263974 1.263974 (617.48364, 3469.9246)(618.4789, 2225.0999)(619.47656, 4012.4167)(620.503, 3364.82)(621.5099, 2029.02) 15 616.4762 616.4762@1.263974 + 622.4999@1.2623861 1.2623861 (623.51184, 2883.2725)(624.508, 1947.5475)(625.5133, 2697.0686)(605.4868, 6154.72)(606.4831, 3061.42)(607.5012, 9056.65)(640.53406, 3302.4902)(641.5373, 1574.88)(642.5152, 2795.06)(645.4888, 1049.4166)(646.4988, 946.53)(647.4886, 1641.45) 9 622.4999 622.4999@1.2623861 + 608.5088@1.2641127 1.2641127 (609.5184, 2779.6384)(591.50446, 2009.7767)(592.49725, 1023.4566)(593.49304, 6424.543)(594.4921, 2797.617)(595.50385, 15901.285) 7 608.5088 608.5088@1.2641127 + 168.119@1.2405736 1.2405736 (354.2815, 3790.28)(359.2189, 11277.18)(360.2238, 3633.58)(169.1252, 9686.574)(170.12148, 2964.0898)(186.1488, 35962.926)(187.15094, 3802.31) 11 168.119 168.119@1.2405736 + C16 H5 O20 S 1.2662106 [ C16 H5 O20 S, mfg=66.54, overall=66.54 ] (549.91754, 9608.986)(550.9199, 1344.0138) 16 548.9102 C16 H5 O20 S + Ammothamnine 1.2769941 C10749 Ammothamnine [ C15 H24 N2 O2, mfg=43.71, db=81.69, overall=62.70, CAS ID=16837-52-8, KEGG ID=C10749, METLIN ID=68548 ] 16837-52-8 (546.3999, 21210.934)(547.4032, 7453.6694)(548.407, 3174.4429)(528.3959, 1883.0) 28 545.3928 Ammothamnine + 963.7051@1.2663342 1.2663342 (964.71375, 1843.377)(965.7172, 1135.1823) 10 963.7051 963.7051@1.2663342 + C33 H62 N5 O4 1.2626625 [ C33 H62 N5 O4, mfg=47.54, overall=47.54 ] (593.489, 4133.458)(594.49066, 2304.0474)(595.5038, 10315.899)(596.5076, 8525.568)(597.5189, 20939.57)(575.4771, 1229.7775)(615.4721, 2473.0842)(616.47327, 1730.4675)(617.4837, 5674.76)(618.4852, 3221.835)(619.50055, 8369.7) 22 592.4823 C33 H62 N5 O4 + 819.4917@1.2647884 1.2647884 (820.4994, 4519.3955)(821.5029, 2421.844)(822.50476, 1408.6859) 10 819.4917 819.4917@1.2647884 + 640.5315@1.266556 1.266556 (641.53845, 2955.4102) 2 640.5315 640.5315@1.266556 + C17 H34 N2 O 1.2668476 [ C17 H34 N2 O, mfg=83.48, overall=83.48 ] (283.2741, 12195.699)(284.28, 2512.8245)(285.2795, 1017.98) 16 282.2669 C17 H34 N2 O + 193.0773@1.2640091 1.2640091 (409.1469, 939.66)(194.08461, 18010.648)(195.09438, 3092.0266)(196.08224, 1580.025)(216.0667, 2078.562) 9 193.0773 193.0773@1.2640091 + 801.6159@1.2602481 1.2602481 (802.623, 1377.8018)(803.62427, 885.1967)(804.6215, 1288.83) 6 801.6159 801.6159@1.2602481 + 582.4949@1.2690951 1.2690951 (583.5038, 5401.489)(584.5033, 2921.0815)(585.4957, 902.5)(605.48376, 3975.4194)(606.48083, 2307.048)(607.4855, 2718.4866)(608.4568, 687.43) 31 582.4949 582.4949@1.2690951 + Valeroidine 1.2671084 C10869 Valeroidine [ C13 H23 N O3, mfg=83.92, db=83.89, overall=83.91, CAS ID=490-96-0, KEGG ID=C10869, METLIN ID=68643 ] 490-96-0 (483.3378, 2512.88)(242.17522, 78826.45)(243.17729, 13033.077)(264.1581, 10743.399) 30 241.168 Valeroidine + 86.037@1.2655725 1.2655725 (87.04425, 10785.835)(88.0426, 2212.045) 2 86.037 86.037@1.2655725 + 154.1358@1.2636983 1.2636983 (326.3056, 5923.11)(155.14243, 2203.304)(137.1321, 3164.29)(177.126, 3941.92)(178.1215, 1268.11) 5 154.1358 154.1358@1.2636983 + 829.6409@1.2667114 1.2667114 (830.648, 1025.8525)(831.6518, 699.55) 4 829.6409 829.6409@1.2667114 + Butanone 1.2724594 C02845 Butanone [ C4 H8 O, mfg=86.34, db=86.34, overall=86.34, CAS ID=78-93-3, KEGG ID=C02845, HMP ID=HMDB00474, METLIN ID=5461 ] 78-93-3 (167.10645, 8913.533)(168.1022, 1127.15)(73.06456, 19985.84)(74.06772, 1224.5851) 33 72.0572 Butanone HMDB00474 + 198.1279@1.2366555 1.2366555 (397.261, 1813.74)(199.13437, 4860.552)(200.1292, 1805.1)(216.15889, 3373.3499)(217.1606, 1810.19)(221.1189, 3558.6) 5 198.1279 198.1279@1.2366555 + C16 H35 N4 O2 1.2833157 [ C16 H35 N4 O2, mfg=72.29, overall=72.29 ] (653.5404, 1054.28)(316.28357, 7601.2266)(317.28513, 2071.9546)(318.2806, 703.39)(298.27365, 3396.9553)(299.26935, 1118.7439)(300.274, 1050.55)(338.2643, 4113.987)(339.26544, 1365.248)(340.26883, 2562.99) 36 315.2763 C16 H35 N4 O2 + 218.0146@1.2685344 1.2685344 (219.02214, 3027.423)(241.0032, 789.17) 3 218.0146 218.0146@1.2685344 + 124.0887@1.2602237 1.2602237 (125.0963, 4339.5254)(126.092255, 685.31995) 2 124.0887 124.0887@1.2602237 + Prosopinine 1.253655 Prosopinine [ C16 H33 N O3, mfg=47.53, db=31.98, overall=39.75, Lipid ID=LMSP01080049, METLIN ID=53949 ] (575.5043, 742.16)(597.481, 1145.02)(288.25247, 7808.229)(289.25168, 3343.4043)(290.24915, 1159.58)(270.2426, 2338.01) 29 287.2448 Prosopinine + LMSP01080049 C15 H27 N5 O3 1.2720233 [ C15 H27 N5 O3, mfg=74.84, overall=74.84 ] (668.4611, 1089.08)(326.21942, 24535.357)(327.2208, 5286.667)(328.21152, 2410.5505)(343.2488, 1743.53)(348.20276, 2995.575) 31 325.2116 C15 H27 N5 O3 + 671.5434@1.2659948 1.2659948 (672.54895, 4369.533)(673.5511, 2174.2646)(674.5624, 1081.0181) 18 671.5434 671.5434@1.2659948 + 452.3608@1.2779435 1.2779435 (453.36795, 5614.975) 8 452.3608 452.3608@1.2779435 + 807.6575@1.2788308 1.2788308 (808.66595, 1721.366)(809.6684, 1075.5809)(810.68036, 2996.025)(811.68365, 1981.3467)(812.6899, 768.725)(830.64716, 1032.8267)(831.64685, 1218.3301) 25 807.6575 807.6575@1.2788308 + C37 H44 N5 O4 S 1.2818471 [ C37 H44 N5 O4 S, mfg=90.73, overall=90.73 ] (655.3176, 5043.1753)(656.3207, 2273.6514)(657.3241, 964.5912)(637.3085, 793.34)(677.29803, 1149.6285)(678.30054, 676.78503) 26 654.3095 C37 H44 N5 O4 S + 180.1149@1.2615435 1.2615435 (361.2372, 7614.82)(181.12193, 6175.38)(182.11937, 1374.0067)(163.1098, 2121.445)(198.14995, 7859.84)(203.1014, 1970.03) 5 180.1149 180.1149@1.2615435 + Boschnialactone + 1.2586726 1.2586726 C09772 Boschnialactone [ C9 H14 O2, mfg=93.65, db=93.64, overall=93.64, CAS ID=17957-87-8, KEGG ID=C09772, METLIN ID=67929 ] 17957-87-8 (309.20572, 14603.554)(310.2083, 4555.77)(331.18976, 8132.733)(332.2038, 3504.83)(155.1068, 11792.167)(156.10504, 3188.3276)(137.09729, 1716.14)(172.13339, 89871.87)(173.13556, 12165.313)(174.14232, 2223.4094)(177.0904, 1445.89) 26 154.0994 Boschnialactone + 1.2586726 + 126.1044@1.2693633 1.2693633 (275.2008, 4097.88)(127.11157, 3201.576)(109.10113, 19818.326)(110.10315, 2442.4102)(144.1377, 3675.06)(149.09503, 2798.145) 12 126.1044 126.1044@1.2693633 + 673.4974@1.2812569 1.2812569 (674.5062, 8056.954)(675.50745, 3389.7)(676.50507, 1549.71)(677.5091, 959.04) 5 673.4974 673.4974@1.2812569 + PGF1? 1.2730963 C06475 PGF1? [ C20 H36 O5, mfg=41.19, db=64.32, overall=52.75, CAS ID=745-62-0, Lipid ID=LMFA03010137, KEGG ID=C06475, HMP ID=HMDB02685, METLIN ID=3503 ] 745-62-0 (730.5654, 1983.2)(731.5604, 1011.57)(732.5489, 1236.5)(735.5041, 611.11)(357.26398, 11925.191)(358.26447, 4467.126)(359.2712, 6019.376)(379.2431, 1850.88) 35 356.256 PGF1? HMDB02685 + LMFA03010137 Gabapentin 1.2758588 C07018 Gabapentin [ C9 H17 N O2, mfg=90.41, db=90.41, overall=90.41, CAS ID=60142-96-3, KEGG ID=C07018, HMP ID=HMDB05015, METLIN ID=2989 ] 60142-96-3 (172.13356, 72681.94)(173.13478, 9839.396)(174.14226, 1564.85)(154.1238, 1129.7)(194.11581, 8507.095) 18 171.1259 Gabapentin HMDB05015 + C6 H14 O3 1.2752339 [ C6 H14 O3, mfg=95.27, overall=95.27 ] (135.10144, 104245.125)(136.10551, 7747.4883)(137.09879, 2374.8499)(117.09086, 7038.672)(118.087006, 1666.87)(152.12788, 10292.657)(153.12845, 1776.9922)(154.1231, 1916.3162)(157.08441, 6447.9497)(158.08853, 1748.5845)(159.07849, 1713.8701) 37 134.0943 C6 H14 O3 + 193.1078@1.2766911 1.2766911 (194.11526, 26837.975)(195.1229, 22878.72) 5 193.1078 193.1078@1.2766911 + Ethyl acetate 1.2749375 C00849 Ethyl acetate [ C4 H8 O2, mfg=68.60, db=54.61, overall=61.61, CAS ID=141-78-6, KEGG ID=C00849, METLIN ID=65539 ] 141-78-6 (177.11157, 3561.3914)(178.1226, 517.98)(194.14096, 4276.615)(89.05975, 14074.924)(90.06119, 1179.4438)(91.0543, 1579.78) 35 88.0525 Ethyl acetate + 151.1206@1.3107114 1.3107114 (152.12758, 14438.495)(153.13115, 2556.025)(154.12296, 2010.095) 4 151.1206 151.1206@1.3107114 + Glucosylceramide (d18:1/24:1(15Z)) 1.2865404 C01190 Glucosylceramide (d18:1/24:1(15Z)) [ C48 H91 N O8, db=73.72, overall=73.72, CAS ID=85305-87-9, KEGG ID=C01190, HMP ID=HMDB04975, METLIN ID=7228 ] 85305-87-9 (810.68024, 3016.5327)(811.68384, 1690.7113)(812.68787, 1111.8679)(792.6698, 1046.75)(832.6585, 1944.7975)(833.6593, 1167.67) 32 809.6716 Glucosylceramide (d18:1/24:1(15Z)) HMDB04975 + C34 H66 N O3 S 1.2776334 [ C34 H66 N O3 S, mfg=64.76, overall=64.76 ] (569.48816, 4482.7876)(570.4823, 2293.8794)(571.4823, 1021.06)(586.51996, 1975.5968)(587.5221, 1287.3049)(588.4997, 1216.15)(591.4692, 2902.9888)(592.4748, 1452.2599) 26 568.4805 C34 H66 N O3 S + GalCer(d18:2/22:0) 1.28474 GalCer(d18:2/22:0) [ C46 H87 N O8, db=67.32, overall=67.32, Lipid ID=LMSP0501AC22, METLIN ID=83840 ] (782.649, 2210.9263)(783.6519, 1270.7231)(784.6607, 1065.1464)(804.62634, 1286.4744)(805.62805, 846.4525) 25 781.6408 GalCer(d18:2/22:0) + LMSP0501AC22 187.0858@1.2790374 1.2790374 (375.176, 1780.08)(376.1816, 669.48)(188.09314, 13690.801)(189.0955, 3247.81) 4 187.0858 187.0858@1.2790374 + 810.6776@1.277 1.277 (811.6849, 3105.0)(812.6883, 1233.15) 1 810.6776 810.6776@1.277 + 567.4705@1.3292016 1.3292016 (568.4776, 6086.309)(569.4824, 2773.2502)(570.4676, 1863.518) 11 567.4705 567.4705@1.3292016 + C39 H68 N2 O S 1.2928835 [ C39 H68 N2 O S, mfg=80.34, overall=80.34 ] (613.5141, 6666.417)(614.51135, 3062.6548)(615.517, 1036.0361)(616.5174, 835.81)(635.494, 3749.306)(636.49316, 1434.1967) 33 612.5066 C39 H68 N2 O S + C10 H25 Cl N4 O2 1.2768006 [ C10 H25 Cl N4 O2, mfg=70.87, overall=70.87 ] (537.34, 1354.84)(554.3674, 743.3)(269.17474, 10852.292)(270.17606, 2782.275)(271.1697, 2983.75)(286.20273, 4009.168)(287.2129, 1281.7) 27 268.1677 C10 H25 Cl N4 O2 + Inulicin 1.2867934 C09483 Inulicin [ C17 H24 O5, mfg=77.91, db=77.78, overall=77.84, CAS ID=33627-41-7, KEGG ID=C09483, METLIN ID=67737 ] 33627-41-7 (309.16898, 12420.762)(310.17264, 3006.0212)(291.1632, 1350.15) 27 308.1619 Inulicin + 799.2405@1.2140714 1.2140714 (800.24884, 1214.1367)(801.2478, 654.135) 3 799.2405 799.2405@1.2140714 + TG(17:0/17:1(10Z)/17:0) (d5) 1.2885 TG(17:0/17:1(10Z)/17:0) (d5) [ C54 H97 D5 O6, db=48.34, overall=48.34, Lipid ID=LMGL03010012, METLIN ID=36804 ] (874.7849, 10490.656)(875.7881, 6526.7524)(876.8006, 30831.273)(877.8047, 23376.72)(878.8085, 7209.02)(879.8096, 3837.73)(880.8145, 591.95) 8 873.778 TG(17:0/17:1(10Z)/17:0) (d5) + LMGL03010012 C12 H21 N O3 1.2866449 [ C12 H21 N O3, mfg=74.75, overall=74.75 ] (455.30923, 1249.9567)(228.15941, 43041.883)(229.16068, 8177.388)(250.14238, 7177.9707) 35 227.1522 C12 H21 N O3 + Gly Cys Trp 1.2832457 Gly Cys Trp [ C16 H20 N4 O4 S, mfg=47.06, db=53.14, overall=50.10, METLIN ID=18498 ] (382.1548, 2677.3433)(383.1595, 1151.5479) 13 381.1468 Gly Cys Trp + 899.7936@1.288707 1.288707 (900.8013, 3942.2642)(901.8034, 3797.0833)(902.81647, 17226.465)(903.8191, 10898.765)(904.8262, 4287.405)(905.8319, 2998.56)(917.8294, 1356.87)(918.8339, 959.63) 5 899.7936 899.7936@1.288707 + 847.7625@1.2742087 1.2742087 (848.7695, 2750.9365)(849.7721, 1203.3201)(850.7837, 2123.6602)(851.7879, 1726.76)(852.793, 684.62) 6 847.7625 847.7625@1.2742087 + 1242.3503@1.3562269 1.3562269 (1243.3572, 1202.98)(1244.3595, 859.845)(1245.3572, 1044.915) 2 1242.3503 1242.3503@1.3562269 + C16 H33 N S2 1.2909501 [ C16 H33 N S2, mfg=81.93, overall=81.93 ] (304.21167, 17547.678)(305.21347, 3901.6035)(306.2058, 1211.5371)(321.23587, 1566.2399) 35 303.2043 C16 H33 N S2 + 251.1503@1.2736174 1.2736174 (252.16092, 21260.871)(253.1593, 3783.14)(254.1606, 3499.92)(274.139, 951.74) 4 251.1503 251.1503@1.2736174 + 144.126@1.288 1.288 (145.1333, 4754.62) 1 144.126 144.126@1.288 + C4 H7 Cl O2 1.2954017 [ C4 H7 Cl O2, mfg=47.26, overall=47.26 ] (123.0205, 2394.5188) 15 122.0132 C4 H7 Cl O2 + C8 H14 1.2800136 [ C8 H14, mfg=77.42, overall=77.42 ] (111.11668, 9762.512)(112.119934, 1474.5067)(133.1014, 1574.15) 22 110.1095 C8 H14 + 68.0626@1.2812315 1.2812315 (69.0698, 2795.2415)(91.0542, 1116.15) 7 68.0626 68.0626@1.2812315 + C16 H36 Cl N2 S 1.2905208 [ C16 H36 Cl N2 S, mfg=76.54, overall=76.54 ] (324.23737, 9924.092)(325.2395, 2529.2065)(326.2323, 2981.07)(346.2168, 1727.47) 28 323.2303 C16 H36 Cl N2 S + C11 H6 N3 1.3000371 [ C11 H6 N3, mfg=75.47, overall=75.47 ] (181.06212, 12768.938)(182.07074, 1531.893)(163.0499, 1107.57)(203.04509, 835.22253) 35 180.055 C11 H6 N3 + C12 H25 N O2 1.3041483 [ C12 H25 N O2, mfg=99.96, overall=99.96 ] (216.19582, 155505.23)(217.19914, 21088.51)(218.20155, 2181.204)(219.1952, 461.73)(198.1852, 33644.58)(238.17796, 11846.764)(239.1799, 3339.0498)(240.18274, 3934.92) 35 215.1886 C12 H25 N O2 + IBMX 1.302048 C13708 IBMX [ C10 H14 N4 O2, mfg=78.23, db=78.00, overall=78.12, CAS ID=28822-58-4, KEGG ID=C13708, METLIN ID=44441 ] 28822-58-4 (223.11903, 10755.185)(224.12773, 4844.708)(225.11201, 6291.513)(226.1101, 827.96)(240.1451, 15413.901)(241.14629, 2425.5334)(242.14197, 913.8733)(245.1008, 1536.6061) 23 222.1113 IBMX + C12 H26 O5 1.3042215 [ C12 H26 O5, mfg=99.20, overall=99.20 ] (251.18515, 282580.3)(252.1884, 41606.96)(253.18924, 6862.691)(254.197, 1804.29)(268.21252, 2163.0977)(273.16745, 14295.015)(274.16895, 2585.9043)(275.16794, 1084.249) 37 250.1779 C12 H26 O5 + 219.1041@1.3 1.3 (220.1114, 5595.57) 1 219.1041 219.1041@1.3 + 880.7474@1.2987669 1.2987669 (881.7542, 1753.71)(882.7611, 1228.57) 2 880.7474 880.7474@1.2987669 + (3Z,6Z,9Z)-dodecatrienol 1.3049446 C08375 (3Z,6Z,9Z)-dodecatrienol [ C12 H20 O, mfg=69.73, db=69.49, overall=69.61, Lipid ID=LMFA05000097, KEGG ID=C08375, METLIN ID=46052 ] (361.3095, 576.01)(181.1587, 6486.3765)(182.15642, 2371.2686)(183.1469, 13580.99)(163.147, 3563.845)(164.1462, 1264.4)(198.1851, 18906.912)(199.1837, 3402.8958)(203.1436, 1006.385) 28 180.1513 (3Z,6Z,9Z)-dodecatrienol + LMFA05000097 140.0847@1.2641354 1.2641354 (281.1743, 7526.66)(303.16022, 3329.73)(141.09175, 3620.635)(158.1173, 36084.38)(159.1191, 4320.64) 2 140.0847 140.0847@1.2641354 + 901.8088@1.3021992 1.3021992 (902.81537, 2714.2183)(903.8203, 1861.242)(904.825, 1403.645) 6 901.8088 901.8088@1.3021992 + Glucosylceramide (d18:1/16:0) 1.3247412 C01190 Glucosylceramide (d18:1/16:0) [ C40 H77 N O8, mfg=86.57, db=86.46, overall=86.51, CAS ID=85305-87-9, KEGG ID=C01190, HMP ID=HMDB04971, METLIN ID=7224 ] 85305-87-9 (700.5714, 5446.932)(701.57446, 2733.845)(702.5757, 1121.2477)(682.55945, 1252.67)(683.5634, 887.0533)(722.5514, 2403.4412)(723.5501, 1593.4263)(724.56006, 636.0025) 36 699.5638 Glucosylceramide (d18:1/16:0) HMDB04971 + 849.7778@1.3047814 1.3047814 (850.7854, 3192.4922)(851.7886, 2100.9387)(852.7925, 2089.36)(872.7681, 917.19) 9 849.7778 849.7778@1.3047814 + 1275.3436@1.2977456 1.2977456 (1276.351, 17193.537)(1277.3518, 21426.633)(1278.3508, 23902.895)(1279.3503, 21575.777)(1280.3494, 14560.742)(1281.3486, 13075.235)(1282.3478, 6371.637)(1283.3463, 2266.69)(1284.3492, 1079.57) 36 1275.3436 1275.3436@1.2977456 + 875.7931@1.3082651 1.3082651 (876.8001, 2706.7075)(877.8042, 1856.149)(878.81067, 1059.6711) 20 875.7931 875.7931@1.3082651 + 218.1062@1.306547 1.306547 (219.11363, 6380.891)(220.1137, 2846.79) 6 218.1062 218.1062@1.306547 + 555.4379@1.331637 1.331637 (556.45447, 4565.4814)(557.4572, 1552.1423)(558.46155, 763.13605) 13 555.4379 555.4379@1.331637 + 450.3803@1.3147779 1.3147779 (451.38727, 1447.4626)(452.3947, 863.66) 4 450.3803 450.3803@1.3147779 + C33 H52 Cl O 1.3190321 [ C33 H52 Cl O, mfg=81.01, overall=81.01 ] (500.37878, 5645.719)(501.38187, 1876.7172)(502.3745, 1802.0674)(522.3608, 1107.415)(523.3686, 306.38) 33 499.3713 C33 H52 Cl O + 165.1516@1.3307405 1.3307405 (166.15872, 2624.2588) 9 165.1516 165.1516@1.3307405 + 426.2586@1.3254772 1.3254772 (427.26602, 5393.4443)(428.27753, 2035.6998) 10 426.2586 426.2586@1.3254772 + 129.0576@1.3447218 1.3447218 (130.06462, 5954.2397) 3 129.0576 129.0576@1.3447218 + 282.0675@1.3179696 1.3179696 (283.075, 6846.017)(284.07953, 1439.7916)(305.05685, 1538.66) 16 282.0675 282.0675@1.3179696 + C20 H41 N8 O3 1.3281362 [ C20 H41 N8 O3, mfg=93.89, overall=93.89 ] (442.3371, 19486.373)(443.34058, 5023.868)(444.33963, 1461.6095)(445.34, 146.96) 35 441.3297 C20 H41 N8 O3 + C15 H32 O6 1.3256445 [ C15 H32 O6, mfg=99.82, overall=99.82 ] (309.22736, 566521.0)(310.2305, 96520.06)(311.23248, 12854.4375)(312.2346, 1910.93)(326.25378, 197851.84)(327.25684, 33526.906)(328.25876, 5916.441)(329.25858, 872.57916)(331.209, 13941.817)(332.21185, 3579.2625)(333.20905, 1161.2325) 37 308.2199 C15 H32 O6 + C18 H38 O7 1.3284535 [ C18 H38 O7, mfg=99.21, overall=99.21 ] (367.26855, 31893.855)(368.27182, 6843.65)(369.26843, 2694.167)(384.29507, 117861.5)(385.2986, 24533.525)(386.3019, 4951.0234)(387.3108, 832.70746)(389.2526, 2909.953)(390.2596, 1350.5499) 37 366.2613 C18 H38 O7 + C14 H17 N2 1.3235753 [ C14 H17 N2, mfg=47.62, overall=23.81 ] (449.2593, 992.21)(214.14372, 19022.924)(215.14204, 5998.44)(196.13074, 2203.145)(236.12842, 3017.828) 34 213.1366 C14 H17 N2 + 253.1526@1.3932016 1.3932016 (254.1608, 6340.1797)(255.16106, 1175.65) 4 253.1526 253.1526@1.3932016 + 316.1109@1.319 1.319 (317.1182, 1956.09)(318.1294, 830.41) 1 316.1109 316.1109@1.319 + 372.2651@1.3851755 1.3851755 (373.27356, 10089.715)(374.28226, 2739.155)(375.2813, 1790.6101)(355.261, 5972.65) 2 372.2651 372.2651@1.3851755 + 395.2671@1.2745999 1.2745999 (396.2734, 5815.68)(397.2624, 1009.46) 2 395.2671 395.2671@1.2745999 + C9 H27 N8 O2 S 1.3135744 [ C9 H27 N8 O2 S, mfg=76.88, overall=76.88 ] (640.4312, 942.29)(645.3897, 834.23)(312.2039, 13428.743)(313.20367, 2812.903)(314.203, 1356.5979)(329.22992, 1508.3501)(334.1882, 2367.89) 32 311.1951 C9 H27 N8 O2 S + C8 H18 O4 1.332811 [ C8 H18 O4, mfg=82.87, overall=82.87 ] (179.12758, 21300.268)(180.13235, 2207.8157)(181.12292, 993.10333)(196.1542, 7734.917)(197.15515, 1509.2959)(198.1489, 3019.24) 15 178.1204 C8 H18 O4 + 369.2419@1.3324678 1.3324678 (370.2489, 5696.854)(371.2463, 1763.0581)(372.2319, 1932.11)(352.2363, 2777.12)(392.2283, 2302.01) 12 369.2419 369.2419@1.3324678 + 174.1256@1.3308702 1.3308702 (175.13272, 7037.1133)(176.13754, 1213.9038) 8 174.1256 174.1256@1.3308702 + C26 H48 N2 O3 1.3447462 [ C26 H48 N2 O3, mfg=88.38, overall=88.38 ] (437.37305, 20109.354)(438.3768, 7040.5986)(439.3775, 2236.7947)(459.35406, 4317.2017)(460.3574, 1540.4263)(461.3618, 939.6415) 36 436.3657 C26 H48 N2 O3 + 166.0994@1.3340985 1.3340985 (355.18976, 1069.465)(167.1066, 24138.11)(168.11319, 3103.0051)(149.095, 2922.03)(184.1326, 2045.49) 14 166.0994 166.0994@1.3340985 + 11-amino-undecanoic acid 1.3436909 C19325 11-amino-undecanoic acid [ C11 H23 N O2, mfg=98.59, db=98.59, overall=98.59, KEGG ID=C19325, METLIN ID=35923 ] (202.18, 28464.398)(203.18326, 3865.0198)(204.183, 701.835)(184.1692, 6428.81)(224.16266, 3441.2397) 37 201.1728 11-amino-undecanoic acid + C9 H20 O4 1.3428801 [ C9 H20 O4, mfg=86.55, overall=86.55 ] (407.257, 651.14)(193.14355, 102880.38)(194.14856, 12615.784)(195.1417, 13617.41)(210.17033, 28349.16)(211.17229, 3843.9304)(212.1646, 56259.55)(213.1673, 8318.01)(215.12595, 32490.752)(216.12854, 4161.5)(217.1259, 1804.287) 37 192.1364 C9 H20 O4 + 58.042@1.3351506 1.3351506 (117.090904, 27612.652)(118.09216, 2482.476)(119.0855, 580.91)(59.049236, 17032.271) 9 58.042 58.042@1.3351506 + C18 H37 N O5 1.3330213 [ C18 H37 N O5, mfg=91.38, overall=91.38 ] (348.27444, 23052.678)(349.27798, 5307.5864)(350.2818, 1964.0457)(330.2623, 1408.87)(370.2552, 5650.975)(371.2539, 1725.81) 26 347.2669 C18 H37 N O5 + 539.4392@1.3476601 1.3476601 (540.4464, 14360.585)(541.45, 4946.9526)(542.449, 2437.7751)(562.4291, 659.45) 4 539.4392 539.4392@1.3476601 + 352.2223@1.2966841 1.2966841 (705.44855, 828.25336)(353.22998, 15836.756)(354.23685, 3955.228)(355.23404, 1034.7524)(335.2234, 3430.4)(375.2158, 1503.25) 26 352.2223 352.2223@1.2966841 + C13 H25 N O3 + 1.3452842 1.3452842 [ C13 H25 N O3, mfg=99.77, overall=99.77 ] (487.37167, 798.1433)(509.3559, 2212.997)(510.35736, 1220.8074)(511.3671, 695.31)(244.19086, 184284.11)(245.19412, 26194.37)(246.19594, 3475.9592)(247.19774, 379.59335)(226.18016, 103926.62)(227.18306, 16988.756)(266.17307, 44529.234)(267.17392, 9237.185)(268.17615, 2082.7493) 37 243.1836 C13 H25 N O3 + 1.3452842 + C13 H23 N O2 1.3226614 [ C13 H23 N O2, mfg=85.41, overall=85.41 ] (451.35104, 1248.6486)(226.18015, 144268.31)(227.18292, 24409.777)(243.20825, 6479.26)(248.16145, 1759.388) 19 225.1729 C13 H23 N O2 + 162.14@1.2860637 1.2860637 (325.2871, 2614.6743)(347.2621, 2407.67)(163.14682, 3835.9626)(164.14706, 1148.1014)(180.17429, 7418.5464) 18 162.14 162.14@1.2860637 + 219.147@1.350914 1.350914 (220.15434, 5886.029)(221.14755, 1954.6299)(242.1377, 1904.0) 6 219.147 219.147@1.350914 + 231.1828@1.351 1.351 (232.1901, 6939.68)(233.1948, 2004.41) 1 231.1828 231.1828@1.351 + C25 H46 N2 O3 1.3631687 [ C25 H46 N2 O3, mfg=87.61, overall=87.61 ] (423.35757, 16898.105)(424.3612, 5525.0376)(425.36667, 1878.806)(445.3393, 3712.6848)(446.34134, 1562.8575)(447.34625, 2951.2378) 37 422.3505 C25 H46 N2 O3 + 110.1095@1.321564 1.321564 (111.11665, 6622.63)(112.1197, 1554.63) 2 110.1095 110.1095@1.321564 + 127.0997@1.3602201 1.3602201 (128.107, 11158.71)(129.1086, 1160.5466) 3 127.0997 127.0997@1.3602201 + 525.4235@1.4061613 1.4061613 (526.43066, 5184.588)(527.4313, 2029.5149) 4 525.4235 525.4235@1.4061613 + C11 H20 N7 1.3737931 [ C11 H20 N7, mfg=91.13, overall=91.13 ] (518.395, 619.45)(251.18504, 56873.95)(252.1875, 11214.943)(253.1877, 2655.1328)(268.21112, 1304.245)(273.16815, 3785.0881)(274.16916, 1004.21576)(275.1659, 697.45996) 27 250.1778 C11 H20 N7 + 454.3774@1.3849281 1.3849281 (455.38187, 1585.7617)(456.3838, 874.825) 6 454.3774 454.3774@1.3849281 + C26 H49 Cl N4 1.3753012 [ C26 H49 Cl N4, mfg=68.68, overall=68.68 ] (453.36884, 4449.3887)(454.3705, 1799.6783)(455.37842, 1351.9733)(456.3781, 253.51)(475.35025, 1504.8025)(476.35773, 1786.46) 13 452.361 C26 H49 Cl N4 + 686.5135@1.3678418 1.3678418 (687.5155, 1765.1172)(688.51526, 1104.2443) 7 686.5135 686.5135@1.3678418 + 282.0677@1.3756473 1.3756473 (283.07587, 1818.0249) 4 282.0677 282.0677@1.3756473 + C13 H6 N6 1.3383007 [ C13 H6 N6, mfg=73.37, overall=36.69 ] (247.0717, 7505.2393)(248.07751, 1529.3407)(249.0795, 684.41) 20 246.0643 C13 H6 N6 + C12 H23 N O3 1.3662196 [ C12 H23 N O3, mfg=99.48, overall=99.48 ] (481.3226, 1163.1967)(230.17528, 87996.32)(231.17825, 12805.788)(232.18135, 1624.4191)(212.16452, 61584.363)(213.1649, 9832.672)(214.1783, 1760.72)(252.1572, 27727.307)(253.15378, 6041.5)(254.15915, 3426.6099) 34 229.168 C12 H23 N O3 + 178.1203@1.3831524 1.3831524 (179.12756, 18321.807)(180.12766, 5178.085)(181.13, 1242.12)(196.1548, 6476.06)(197.1562, 1265.0) 3 178.1203 178.1203@1.3831524 + C6 H10 N3 O2 1.3852669 [ C6 H10 N3 O2, mfg=79.20, overall=79.20 ] (313.1577, 1883.67)(157.08379, 16257.434)(158.08965, 1608.9279)(159.08742, 1006.45) 23 156.0764 C6 H10 N3 O2 + 239.1869@1.3558958 1.3558958 (240.19434, 4281.8584)(241.19336, 1026.5574)(257.2219, 1331.16) 5 239.1869 239.1869@1.3558958 + C24 H44 N2 O3 1.3872924 [ C24 H44 N2 O3, mfg=91.42, overall=91.42 ] (409.34183, 18666.115)(410.34485, 5784.6416)(411.3512, 1581.2657)(431.3229, 3913.2715)(432.32632, 1771.6406)(433.3305, 1140.4429) 37 408.3347 C24 H44 N2 O3 + 3b,17a,21-Trihydroxypregnenone 1.3938074 C05487 3b,17a,21-Trihydroxypregnenone [ C21 H32 O4, mfg=65.81, db=65.78, overall=65.80, CAS ID=1167-48-2, KEGG ID=C05487, HMP ID=HMDB00382, METLIN ID=5371 ] 1167-48-2 (349.2369, 14351.634)(350.2374, 4318.87)(351.2383, 1708.1327) 34 348.2299 3b,17a,21-Trihydroxypregnenone HMDB00382 + 215.187@1.3885019 1.3885019 (216.19444, 16625.783)(217.19804, 2415.7112)(218.1966, 893.89)(238.17542, 4784.28) 23 215.187 215.187@1.3885019 + 115.0631@1.3908595 1.3908595 (231.1318, 1573.52)(116.07036, 17906.096)(117.07223, 1301.47)(118.065, 766.24) 15 115.0631 115.0631@1.3908595 + 205.0742@1.3891591 1.3891591 (206.08147, 10996.804)(207.08286, 1437.9099)(188.07016, 5081.365)(228.06395, 3548.425)(229.064, 1347.52) 3 205.0742 205.0742@1.3891591 + n-decanohydroxamic acid 1.3747275 C12889 n-decanohydroxamic acid [ C10 H21 N O2, mfg=76.30, db=76.28, overall=76.29, Lipid ID=LMFA00000007, KEGG ID=C12889, METLIN ID=45746 ] (188.16408, 11831.459)(189.16725, 1979.8258)(190.1593, 668.13)(170.1538, 6973.4336)(171.1513, 1383.31)(210.14555, 3236.3245) 37 187.1571 n-decanohydroxamic acid + LMFA00000007 511.4082@1.4214265 1.4214265 (512.4152, 7192.3813)(513.4167, 2642.1987)(514.4148, 1618.6951)(534.3951, 727.41) 10 511.4082 511.4082@1.4214265 + C9 H20 O4 + 1.3973582 1.3973582 [ C9 H20 O4, mfg=76.08, overall=76.08 ] (407.2656, 1035.21)(193.14352, 52991.02)(194.1488, 6469.7964)(195.1471, 5279.44)(175.13284, 1041.19)(210.17029, 15346.558)(211.171, 3343.5781)(215.12581, 15634.196)(216.12814, 2600.72)(217.1264, 1250.4) 20 192.1363 C9 H20 O4 + 1.3973582 + C14 H25 N5 O3 1.394978 [ C14 H25 N5 O3, mfg=81.65, overall=81.65 ] (312.2028, 10597.836)(313.2046, 2310.2822)(314.2062, 1089.2086)(334.18634, 1952.625) 22 311.1954 C14 H25 N5 O3 + Limonene-1,2-epoxide + 1.4060118 1.4060118 C07271 Limonene-1,2-epoxide [ C10 H16 O, mfg=65.46, db=65.31, overall=65.38, CAS ID=1195-92-2, KEGG ID=C07271, METLIN ID=41092 ] 1195-92-2 (322.2758, 711.46)(153.12784, 3286.1912)(154.12358, 942.0176)(135.11569, 3779.1)(170.15392, 11143.449)(171.15343, 2053.674) 25 152.1201 Limonene-1,2-epoxide + 1.4060118 + 495.4128@1.3529439 1.3529439 (496.42032, 12697.984)(497.42374, 3979.87)(498.4227, 1808.94) 3 495.4128 495.4128@1.3529439 + C26 H42 N6 1.4250542 [ C26 H42 N6, mfg=68.72, overall=68.72 ] (439.35367, 4349.9966)(440.35638, 1747.4518)(441.3636, 1080.735)(461.33514, 1597.46) 21 438.3464 C26 H42 N6 + Ethyl 3-(N-butylacetamido)propionate 1.4088768 C18830 Ethyl 3-(N-butylacetamido)propionate [ C11 H21 N O3, mfg=99.65, db=99.65, overall=99.65, CAS ID=52304-36-6, KEGG ID=C18830, METLIN ID=72595 ] 52304-36-6 (453.29144, 1192.1687)(216.15933, 81211.91)(217.16246, 9727.372)(218.16353, 1423.1809)(198.14897, 71449.41)(199.15218, 9546.631)(200.1623, 1797.1218)(233.1884, 1294.91)(238.14201, 31955.273)(239.14836, 7419.543)(240.14644, 1716.8168) 37 215.1523 Ethyl 3-(N-butylacetamido)propionate + 252.1351@1.4030237 1.4030237 (505.27985, 728.20996)(253.14302, 18653.887)(254.15102, 3409.9634) 12 252.1351 252.1351@1.4030237 + C23 H42 N2 O3 1.4159284 [ C23 H42 N2 O3, mfg=89.38, overall=89.38 ] (395.3273, 13413.965)(396.33038, 4434.7856)(397.3346, 1237.5044)(377.3143, 841.36)(412.3546, 736.075)(417.30804, 2905.8162)(418.3127, 1448.8057)(419.31534, 2434.691) 37 394.3195 C23 H42 N2 O3 + 247.1785@1.4124978 1.4124978 (248.18558, 4544.9033)(249.18599, 1827.266)(250.1766, 1162.735)(265.21335, 754.615) 10 247.1785 247.1785@1.4124978 + 639.528@1.4363276 1.4363276 (640.5354, 5435.429)(641.53876, 2337.9033)(642.5233, 955.37) 9 639.528 639.528@1.4363276 + 142.1095@1.413 1.413 (143.1168, 8442.78)(144.1238, 1283.57) 1 142.1095 142.1095@1.413 + 422.3132@1.4236064 1.4236064 (423.32077, 3713.3796)(424.31885, 1656.4967)(445.30127, 1113.9961) 12 422.3132 422.3132@1.4236064 + C15 H32 O6 + 1.4153607 1.4153607 [ C15 H32 O6, mfg=99.71, overall=99.71 ] (309.2272, 177118.05)(310.23038, 30668.504)(311.23196, 3773.9277)(326.25354, 64521.285)(327.2569, 11099.109)(328.25827, 2540.8792)(329.2653, 403.32)(331.20883, 5094.221)(332.20828, 1980.0986)(333.20502, 967.82556) 37 308.2198 C15 H32 O6 + 1.4153607 + 467.3818@1.4299264 1.4299264 (468.38937, 8086.0435)(469.3906, 2828.8984)(470.3809, 1146.4767) 6 467.3818 467.3818@1.4299264 + C7 H7 N 1.4242393 [ C7 H7 N, mfg=84.87, overall=84.87 ] (106.06516, 31632.363)(107.06928, 2989.5725) 23 105.0579 C7 H7 N + 697.5359@1.4407479 1.4407479 (698.5431, 2308.936)(699.54504, 1253.2075) 5 697.5359 697.5359@1.4407479 + 11-amino-undecanoic acid + 1.4218489 1.4218489 C19325 11-amino-undecanoic acid [ C11 H23 N O2, mfg=76.62, db=76.59, overall=76.61, KEGG ID=C19325, METLIN ID=35923 ] (425.33386, 1716.38)(426.3285, 1334.77)(427.3459, 879.54)(202.17978, 6095.1035)(203.18233, 1138.133)(224.16301, 2249.896) 31 201.1725 11-amino-undecanoic acid + 1.4218489 + Poloxalene 1.4281267 Poloxalene [ C7 H16 O4, mfg=58.82, db=46.75, overall=52.78, CAS ID=, METLIN ID=43312 ] (165.112, 18695.834)(166.11589, 3947.878)(167.1055, 4038.56)(182.13925, 7903.0557)(183.14038, 1337.9998)(184.1324, 900.53) 32 164.105 Poloxalene + 324.0876@1.428 1.428 (325.0949, 1362.57) 1 324.0876 324.0876@1.428 + C12 H23 Cl N6 O2 1.440524 [ C12 H23 Cl N6 O2, mfg=62.03, overall=31.01 ] (319.16263, 9847.234)(320.16855, 2771.8594)(321.1645, 2695.892) 17 318.1554 C12 H23 Cl N6 O2 + C27 H57 O S2 1.436585 [ C27 H57 O S2, mfg=80.91, overall=80.91 ] (462.39325, 12554.605)(463.39615, 4943.246)(464.39804, 2273.1658)(465.4038, 616.875)(444.38242, 5061.3867)(445.3861, 2830.8257)(446.38803, 1233.4)(484.37567, 1889.19)(485.3834, 999.64) 32 461.3862 C27 H57 O S2 + 410.1756@1.4533911 1.4533911 (411.18417, 1848.368)(412.19467, 952.52997)(428.20956, 3785.0461)(429.2087, 1223.17)(430.21265, 777.74)(433.16617, 3728.6736)(434.16895, 2390.9102)(435.1781, 1383.16) 14 410.1756 410.1756@1.4533911 + 432.157@1.4332758 1.4332758 (433.16525, 2159.8586)(434.16934, 924.355) 8 432.157 432.157@1.4332758 + C10 H19 N8 O2 1.4361576 [ C10 H19 N8 O2, mfg=87.73, overall=87.73 ] (284.17102, 17401.898)(285.17282, 3343.7788)(286.1712, 943.6294)(301.2016, 1679.09) 30 283.1636 C10 H19 N8 O2 + 807.6566@1.4376022 1.4376022 (808.6645, 1073.7167)(809.6687, 799.59)(810.6811, 2368.75)(811.6852, 1229.12)(812.6894, 578.43)(830.6423, 681.45) 3 807.6566 807.6566@1.4376022 + 231.1832@1.433 1.433 (232.1905, 2928.29) 1 231.1832 231.1832@1.433 + C14 H30 N5 O 1.4344488 [ C14 H30 N5 O, mfg=47.56, overall=47.56 ] (569.494, 523.67)(591.4791, 885.83)(285.25308, 2729.5884)(286.2518, 1214.6766)(307.2349, 1001.25665) 12 284.246 C14 H30 N5 O + C18 H38 O7 + 1.4355944 1.4355944 [ C18 H38 O7, mfg=97.87, overall=97.87 ] (367.26865, 11650.648)(368.2703, 2415.127)(369.2648, 1856.7461)(384.295, 41271.34)(385.29886, 9055.166)(386.30194, 2219.3428)(387.31586, 413.065)(389.2547, 1660.995) 37 366.2613 C18 H38 O7 + 1.4355944 + C25 Cl3 N4 O7 1.4470781 [ C25 Cl3 N4 O7, mfg=85.96, overall=85.96 ] (573.8898, 2882.3352)(574.8933, 1229.1583)(575.88934, 3201.7131)(576.89154, 739.37)(577.8866, 1256.085)(595.8734, 1226.88) 8 572.8834 C25 Cl3 N4 O7 + 297.1787@1.4533364 1.4533364 (298.18597, 29210.307)(299.18863, 5543.959) 21 297.1787 297.1787@1.4533364 + C22 H40 N2 O3 1.4432935 [ C22 H40 N2 O3, mfg=93.98, overall=93.98 ] (381.3108, 19914.176)(382.31296, 5477.2173)(383.3193, 1347.3595)(398.3353, 597.0)(403.2924, 3399.1768)(404.29532, 1729.9386)(405.29343, 910.9133) 37 380.3035 C22 H40 N2 O3 + 452.361@1.4394029 1.4394029 (453.36853, 5161.309)(454.37222, 2855.508)(455.37512, 1347.0476)(435.356, 584.07)(475.3504, 1518.34) 17 452.361 452.361@1.4394029 + 395.2661@1.4675807 1.4675807 (396.27374, 4011.4475)(397.27463, 1633.8113)(398.2776, 1054.754)(413.2984, 911.36)(418.2524, 2515.43) 11 395.2661 395.2661@1.4675807 + C13 H32 N3 S2 1.4686724 [ C13 H32 N3 S2, mfg=67.06, overall=67.06 ] (295.21158, 15339.898)(296.21143, 4986.8613)(297.2111, 1238.63)(277.1984, 1487.89)(312.23758, 9033.668)(313.24533, 2804.9534)(314.2471, 1391.64)(317.19214, 1254.88) 33 294.204 C13 H32 N3 S2 + 164.0693@1.4415498 1.4415498 (329.1506, 841.08)(165.07635, 5191.5654) 4 164.0693 164.0693@1.4415498 + C31 H59 N O9 1.4631026 [ C31 H59 N O9, mfg=97.01, overall=97.01 ] (590.42584, 12728.744)(591.42957, 4406.7524)(592.4322, 1396.4756) 30 589.4184 C31 H59 N O9 + 611.4971@1.4903351 1.4903351 (612.5042, 5742.9424)(613.50806, 2509.245)(614.50665, 1006.0449) 9 611.4971 611.4971@1.4903351 + 426.2587@1.4426202 1.4426202 (427.2668, 5486.067)(428.27353, 1664.389)(429.26627, 1069.89)(409.2543, 1308.94) 11 426.2587 426.2587@1.4426202 + Glucosylceramide (d18:1/24:1(15Z)) + 1.4387408 1.4387408 C01190 Glucosylceramide (d18:1/24:1(15Z)) [ C48 H91 N O8, db=73.01, overall=73.01, CAS ID=85305-87-9, KEGG ID=C01190, HMP ID=HMDB04975, METLIN ID=7228 ] 85305-87-9 (810.68164, 1859.0238)(811.6841, 1065.8771)(812.6885, 772.435)(832.6565, 1596.27)(833.65686, 990.81506) 21 809.6729 Glucosylceramide (d18:1/24:1(15Z)) + 1.4387408 HMDB04975 + 369.2381@1.4220941 1.4220941 (370.24628, 5239.1914)(371.25, 1758.1456) 8 369.2381 369.2381@1.4220941 + 199.0304@1.4476855 1.4476855 (200.03784, 4457.9106)(201.04083, 995.3567)(202.0376, 593.55)(217.06079, 920.105) 16 199.0304 199.0304@1.4476855 + Cinnamyl alcohol + 1.4422443 1.4422443 C02394 Cinnamyl alcohol [ C9 H10 O, mfg=46.73, db=8.27, overall=27.50, CAS ID=104-54-1, KEGG ID=C02394, METLIN ID=65764 ] 104-54-1 (135.08, 4641.887)(136.07785, 887.1145)(137.0694, 1370.715)(152.1066, 2255.91) 15 134.0729 Cinnamyl alcohol + 1.4422443 + 810.6764@1.445 1.445 (811.6837, 1709.37)(812.6918, 894.56) 1 810.6764 810.6764@1.445 + 424.3296@1.4570276 1.4570276 (425.33707, 5768.9146)(426.33627, 3741.2202)(427.34583, 1822.3401) 5 424.3296 424.3296@1.4570276 + 888.626@1.4506489 1.4506489 (889.63324, 2346.8958)(890.63904, 1538.3625)(891.6437, 973.30817)(911.61487, 1228.5033)(912.6206, 902.1627)(913.635, 697.38) 31 888.626 888.626@1.4506489 + Sesamex 1.4458069 C19146 Sesamex [ C15 H22 O6, mfg=90.78, db=90.72, overall=90.75, CAS ID=51-14-9, KEGG ID=C19146, METLIN ID=72887 ] 51-14-9 (619.2728, 1194.9691)(620.2758, 838.24)(299.14816, 9072.182)(300.15143, 2220.1978)(301.15268, 1082.8365)(316.17636, 1761.0801)(321.13092, 16120.354)(322.1352, 3144.4272)(323.14417, 718.1) 33 298.1413 Sesamex + 123.0348@1.4523035 1.4523035 (124.041794, 11720.57)(125.043076, 865.18396)(126.0381, 695.87) 5 123.0348 123.0348@1.4523035 + L-Methionine S-oxide 1.4467877 C02989 L-Methionine S-oxide [ C5 H11 N O3 S, mfg=63.80, db=63.76, overall=63.78, CAS ID=3226-65-1, KEGG ID=C02989, HMP ID=HMDB02005, METLIN ID=63430 ] 3226-65-1 (166.05273, 12074.856)(167.05318, 1411.8904)(188.03519, 1452.5876) 25 165.0457 L-Methionine S-oxide HMDB02005 + C28 H45 N2 S 1.4503454 [ C28 H45 N2 S, mfg=94.42, overall=94.42 ] (442.33685, 7385.776)(443.34012, 2214.5544)(444.33612, 779.6043) 34 441.3297 C28 H45 N2 S + C24 H46 N5 O2 + 1.4477767 1.4477767 [ C24 H46 N5 O2, mfg=71.58, overall=71.58 ] (437.37277, 3384.3972)(438.37613, 1273.9569)(459.35107, 1249.11) 25 436.3654 C24 H46 N5 O2 + 1.4477767 + Capryloylglycine 1.4579339 Capryloylglycine [ C10 H19 N O3, mfg=95.72, db=89.51, overall=92.62, CAS ID=14246-53-8, HMP ID=HMDB00832, METLIN ID=5795 ] 14246-53-8 (425.26382, 1269.0116)(202.1438, 35991.367)(203.14615, 4843.505)(204.14598, 1089.589)(184.13313, 42267.76)(185.13493, 6114.9766)(186.14563, 1304.835)(224.12663, 15997.788)(225.12338, 3494.6665)(226.12413, 4784.0557)(227.1307, 3083.88) 37 201.1366 Capryloylglycine HMDB00832 + 112.0272@1.453555 1.453555 (113.03456, 2729.9414) 8 112.0272 112.0272@1.453555 + C9 H12 Cl3 N2 O3 S5 1.4548478 [ C9 H12 Cl3 N2 O3 S5, mfg=87.00, overall=87.00 ] (461.8579, 3823.5615)(462.85898, 1004.9417)(463.85544, 5601.3687)(464.85764, 485.25998)(465.85358, 1993.25) 16 460.8498 C9 H12 Cl3 N2 O3 S5 + 875.9089@1.457 1.457 (876.9161, 856.86)(877.9182, 741.05)(878.9131, 857.25) 1 875.9089 875.9089@1.457 + 653.5952@1.457 1.457 (654.6025, 1274.93) 1 653.5952 653.5952@1.457 + 155.1307@1.4578391 1.4578391 (156.13797, 7381.6655)(157.13928, 1061.1356)(138.12761, 2615.2483) 16 155.1307 155.1307@1.4578391 + (23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid 1.4736587 (23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid [ C24 H40 O5, mfg=47.58, db=67.52, overall=57.55, METLIN ID=42697 ] (431.27667, 3044.2246)(432.27994, 1602.4615)(433.28018, 1117.4425)(413.26624, 1842.7866) 14 430.2689 (23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid + 606.5442@1.4685904 1.4685904 (607.5522, 1728.23)(608.5537, 967.965)(629.53394, 843.63) 3 606.5442 606.5442@1.4685904 + 346.2135@1.4164741 1.4164741 (693.4435, 635.89)(347.22116, 5455.722)(348.2211, 1966.9598) 15 346.2135 346.2135@1.4164741 + 1021.5897@1.4562316 1.4562316 (1022.59717, 1195.5834)(1023.5992, 848.32666)(1024.6016, 1421.2167)(1025.603, 770.63)(1026.595, 1120.99) 3 1021.5897 1021.5897@1.4562316 + 465.8054@1.4573964 1.4573964 (466.81284, 3002.2263) 8 465.8054 465.8054@1.4573964 + C17 H2 Cl2 O2 S5 1.4564052 [ C17 H2 Cl2 O2 S5, mfg=63.70, overall=63.70 ] (936.6189, 521.05)(468.81113, 2825.9731)(469.8069, 747.83)(470.8086, 1657.04) 10 467.8038 C17 H2 Cl2 O2 S5 + 3b,17a,21-Trihydroxypregnenone + 1.4572551 1.4572551 C05487 3b,17a,21-Trihydroxypregnenone [ C21 H32 O4, mfg=61.08, db=61.05, overall=61.07, CAS ID=1167-48-2, KEGG ID=C05487, HMP ID=HMDB00382, METLIN ID=5371 ] 1167-48-2 (349.23697, 9074.427)(350.23755, 3013.589)(351.2389, 1362.3646) 29 348.2298 3b,17a,21-Trihydroxypregnenone + 1.4572551 HMDB00382 + 590.2951@1.4653131 1.4653131 (591.3022, 7158.4233)(592.30664, 2952.714)(593.31665, 906.44)(613.2842, 4056.6958)(614.2881, 1726.5752)(615.2938, 761.53503) 8 590.2951 590.2951@1.4653131 + n-decanohydroxamic acid + 1.4612739 1.4612739 C12889 n-decanohydroxamic acid [ C10 H21 N O2, mfg=65.13, db=65.10, overall=65.12, Lipid ID=LMFA00000007, KEGG ID=C12889, METLIN ID=45746 ] (397.30112, 1059.15)(188.16418, 7301.4478)(189.16698, 1229.5143)(190.15741, 679.69)(170.1536, 2339.78)(210.1479, 2529.22) 31 187.157 n-decanohydroxamic acid + 1.4612739 + LMFA00000007 681.6266@1.465 1.465 (682.6338, 1597.86) 1 681.6266 681.6266@1.465 + 422.3504@1.4646593 1.4646593 (423.3575, 3401.2156)(424.36096, 1268.6508)(425.3682, 1286.14)(445.33893, 1201.6311)(446.34305, 1102.29) 29 422.3504 422.3504@1.4646593 + 247.1782@1.4628191 1.4628191 (248.18494, 3378.0735) 3 247.1782 247.1782@1.4628191 + 351.1912@1.4671305 1.4671305 (352.1981, 4312.115)(353.1981, 599.17) 2 351.1912 351.1912@1.4671305 + 597.4814@1.469 1.469 (598.4887, 3060.85)(599.4942, 1510.92)(600.4847, 1015.45) 1 597.4814 597.4814@1.469 + C9 H19 N O2 1.4929645 [ C9 H19 N O2, mfg=65.69, overall=65.69 ] (174.14879, 4701.612)(175.14987, 888.5294)(156.1379, 8205.82)(157.1333, 1560.21)(196.131, 3355.54) 22 173.1414 C9 H19 N O2 + 312.2403@1.4799267 1.4799267 (647.4732, 555.88)(313.2473, 7043.683)(314.25064, 1856.825)(315.2518, 508.07)(335.2272, 1246.7151) 14 312.2403 312.2403@1.4799267 + C21 H38 N2 O3 1.4791263 [ C21 H38 N2 O3, mfg=90.95, overall=90.95 ] (367.2946, 12309.663)(368.29865, 3229.7222)(369.30252, 1021.441)(389.27454, 2706.6113)(390.2826, 1350.86) 31 366.2875 C21 H38 N2 O3 + 265.2036@1.473 1.473 (266.2109, 1537.59) 1 265.2036 265.2036@1.473 + 356.1447@1.473 1.473 (357.152, 4108.18)(358.1526, 1012.46)(359.1506, 983.25) 1 356.1447 356.1447@1.473 + C8 H18 O4 + 1.4758905 1.4758905 [ C8 H18 O4, mfg=54.87, overall=54.87 ] (379.2252, 950.12)(179.12749, 12900.978)(180.13321, 1517.1982)(181.12311, 2329.8025)(182.1201, 403.39)(196.15422, 5334.426)(197.15523, 1316.6934)(201.11034, 4051.7056)(202.1116, 1523.78) 24 178.1203 C8 H18 O4 + 1.4758905 + C15 H30 N2 O2 1.484142 [ C15 H30 N2 O2, mfg=67.82, overall=67.82 ] (271.23767, 3871.9963)(272.2398, 1076.3964) 17 270.2303 C15 H30 N2 O2 + Glucosylceramide (d18:1/16:0) + 1.4790593 1.4790593 C01190 Glucosylceramide (d18:1/16:0) [ C40 H77 N O8, mfg=73.34, db=73.23, overall=73.28, CAS ID=85305-87-9, KEGG ID=C01190, HMP ID=HMDB04971, METLIN ID=7224 ] 85305-87-9 (700.5707, 4147.8525)(701.57367, 2192.3696)(702.5724, 1008.56934)(682.5597, 905.84503)(722.55133, 2189.0696)(723.55115, 1117.3221)(724.55115, 826.475) 27 699.5629 Glucosylceramide (d18:1/16:0) + 1.4790593 HMDB04971 + 184.023@1.486836 1.486836 (185.03041, 4436.645) 6 184.023 184.023@1.486836 + C12 H14 N4 1.4908128 [ C12 H14 N4, mfg=76.44, overall=76.44 ] (451.2317, 633.68)(215.1283, 4034.931)(216.12836, 1095.9149)(197.1198, 4206.8135)(198.1224, 1071.41)(199.1063, 1040.95)(232.15443, 7799.9136)(233.15443, 1513.0828)(234.15141, 1314.86)(237.11078, 6668.567)(238.11282, 1414.6323) 16 214.121 C12 H14 N4 + 318.122@1.477218 1.477218 (319.12872, 3803.1746)(320.13553, 1179.5082)(341.11084, 1091.76) 13 318.122 318.122@1.477218 + 653.5073@1.4873004 1.4873004 (654.51526, 2188.3975)(655.51874, 1273.675)(656.5318, 496.34) 4 653.5073 653.5073@1.4873004 + 129.0789@1.4890498 1.4890498 (276.1932, 3227.64)(130.08612, 21353.729)(131.08365, 3927.5535)(132.08, 808.7)(112.0757, 1807.53)(152.0712, 2810.53) 11 129.0789 129.0789@1.4890498 + C21 H47 Cl N3 O2 1.491213 [ C21 H47 Cl N3 O2, mfg=69.80, overall=69.80 ] (409.342, 3799.42)(410.3442, 1454.6959)(411.34274, 1046.2075)(431.32294, 1042.1362)(432.3251, 676.93) 28 408.335 C21 H47 Cl N3 O2 + 355.2209@1.5061167 1.5061167 (356.22815, 8942.778)(357.2305, 2267.5364)(358.2309, 950.43005) 26 355.2209 355.2209@1.5061167 + 424.3306@1.4944581 1.4944581 (425.3376, 4043.886)(426.3381, 1088.55)(427.3448, 643.35) 5 424.3306 424.3306@1.4944581 + 497.281@1.5690782 1.5690782 (498.28812, 11461.032)(499.29776, 4386.804)(500.29263, 1517.938)(501.28943, 203.92)(480.27792, 6721.29)(481.2818, 2303.255)(482.2841, 1157.045) 15 497.281 497.281@1.5690782 + 212.105@1.5109209 1.5109209 (425.2139, 841.73)(213.11157, 7210.437) 3 212.105 212.105@1.5109209 + 754.5529@1.5571536 1.5571536 (755.5599, 5305.741)(756.5634, 2828.9124)(757.5646, 1274.6039) 13 754.5529 754.5529@1.5571536 + C18 H34 N5 O2 1.530522 [ C18 H34 N5 O2, mfg=77.90, overall=77.90 ] (353.27896, 8184.239)(354.2799, 2337.0913)(355.28207, 934.21594)(375.26068, 1802.0554)(376.26175, 974.3117) 36 352.2715 C18 H34 N5 O2 + 172.1103@1.523315 1.523315 (362.2536, 920.35)(173.11829, 4095.5698)(174.1184, 847.58)(155.1067, 13482.891) 2 172.1103 172.1103@1.523315 + 577.4299@1.5199146 1.5199146 (578.4368, 2929.031)(579.4366, 869.33997)(580.427, 745.01) 12 577.4299 577.4299@1.5199146 + C21 H39 N5 S2 1.5311655 [ C21 H39 N5 S2, mfg=70.44, overall=70.44 ] (426.26938, 3550.4817)(427.27136, 1130.3411)(428.28137, 898.075) 21 425.2618 C21 H39 N5 S2 + 251.1503@1.528 1.528 (252.1576, 9966.46) 1 251.1503 251.1503@1.528 + C11 H8 N2 O3 S 1.534382 [ C11 H8 N2 O3 S, mfg=78.37, overall=78.37 ] (249.03273, 9912.628)(250.03688, 1586.4496)(251.03566, 1232.0383) 23 248.0253 C11 H8 N2 O3 S + 2S-amino-pentanoic acid 1.5343401 C01826 2S-amino-pentanoic acid [ C5 H11 N O2, mfg=94.18, db=94.17, overall=94.17, KEGG ID=C01826, METLIN ID=35949 ] (235.1671, 1703.425)(118.085976, 40968.047)(119.08801, 3546.2046)(120.08983, 747.15283) 35 117.0787 2S-amino-pentanoic acid + Hygrine 1.5406988 C06179 Hygrine [ C8 H15 N O, mfg=78.48, db=78.47, overall=78.47, CAS ID=496-49-1, KEGG ID=C06179, METLIN ID=3268 ] 496-49-1 (142.1225, 12654.83)(143.12315, 1365.6909)(124.111534, 4806.2437) 32 141.1153 Hygrine + 225.1215@1.5357976 1.5357976 (451.252, 709.72)(226.12921, 17497.04)(227.13046, 3091.737)(228.1298, 699.74)(243.1555, 1114.04) 12 225.1215 225.1215@1.5357976 + 346.1214@1.543583 1.543583 (347.12854, 2778.72)(348.13474, 1116.24)(349.135, 887.3367) 8 346.1214 346.1214@1.543583 + 418.1845@1.546253 1.546253 (419.19232, 1933.7039)(420.19666, 1034.565)(421.1825, 779.19) 10 418.1845 418.1845@1.546253 + 3-Hydroxysuberic acid 1.5365499 3-Hydroxysuberic acid [ C8 H14 O5, mfg=73.01, db=72.98, overall=73.00, CAS ID=73141-47-6, HMP ID=HMDB00325, METLIN ID=5314 ] 73141-47-6 (191.09134, 18028.766)(192.09796, 2372.6433)(173.0809, 1862.67) 21 190.0844 3-Hydroxysuberic acid HMDB00325 + 419.1421@1.5479474 1.5479474 (420.1502, 2292.6633)(421.15286, 848.8536) 16 419.1421 419.1421@1.5479474 + 216.0498@1.5349039 1.5349039 (217.0572, 5575.8984)(218.061, 570.02) 6 216.0498 216.0498@1.5349039 + KAPA 1.540136 C01092 KAPA [ C9 H17 N O3, mfg=97.83, db=97.83, overall=97.83, CAS ID=4707-58-8, KEGG ID=C01092, METLIN ID=3322 ] 4707-58-8 (397.23047, 1257.532)(398.2397, 935.03)(188.1282, 45203.805)(189.13075, 5781.4883)(190.12871, 1311.9739)(170.11761, 68633.16)(171.12047, 8584.688)(172.12595, 1253.7356)(210.11064, 33065.184)(211.11435, 3928.4363)(212.11978, 1636.5376) 37 187.121 KAPA + 341.1655@1.5381052 1.5381052 (342.17267, 3445.6472)(343.16748, 1338.1234)(344.164, 1138.44) 15 341.1655 341.1655@1.5381052 + 270.0577@1.5355291 1.5355291 (271.06512, 3879.1772)(272.06934, 859.19336) 8 270.0577 270.0577@1.5355291 + 87.0321@1.534199 1.534199 (88.039246, 5203.77)(89.0353, 733.61) 2 87.0321 87.0321@1.534199 + Bryotoxin A 1.5430819 C08853 Bryotoxin A [ C32 H42 O12, mfg=79.12, db=79.08, overall=79.10, CAS ID=101329-50-4, KEGG ID=C08853, METLIN ID=67227 ] 101329-50-4 (619.27234, 4465.2944)(620.2763, 1602.7551)(621.27954, 782.4682) 29 618.265 Bryotoxin A + 256.2148@1.547007 1.547007 (257.22214, 5309.278)(258.22513, 1380.6564)(279.2027, 1557.1324) 11 256.2148 256.2148@1.547007 + 193.0958@1.539 1.539 (194.1031, 14093.58)(216.0848, 6786.6) 1 193.0958 193.0958@1.539 + C16 H27 N O S 1.5442238 [ C16 H27 N O S, mfg=69.62, overall=69.62 ] (585.3609, 765.73)(282.19116, 11980.491)(283.18784, 2713.994)(284.17865, 1610.1625)(299.2208, 2426.4434) 25 281.1838 C16 H27 N O S + 539.4393@1.5406966 1.5406966 (540.4466, 12743.67)(541.4503, 3523.9502)(542.4316, 1192.08) 2 539.4393 539.4393@1.5406966 + 320.1237@1.525371 1.525371 (321.13098, 29095.367)(322.13507, 5366.0356)(323.14444, 853.088)(338.1578, 805.73) 13 320.1237 320.1237@1.525371 + C37 H26 N14 O4 1.5523309 [ C37 H26 N14 O4, mfg=67.38, overall=67.38 ] (731.23376, 1976.3516)(732.2354, 997.79504) 13 730.2266 C37 H26 N14 O4 + C4 H5 N O S 1.5456641 [ C4 H5 N O S, mfg=81.50, overall=81.50 ] (116.016365, 7705.552)(117.019226, 930.24)(118.012665, 980.49335) 26 115.0091 C4 H5 N O S + C22 H40 N2 O3 + 1.5490807 1.5490807 [ C22 H40 N2 O3, mfg=72.24, overall=72.24 ] (381.31088, 4902.3384)(382.31232, 1726.3309)(383.31915, 829.53204)(398.3351, 754.02)(403.29318, 1413.8917)(404.29745, 1096.2151)(405.3011, 949.9) 34 380.3038 C22 H40 N2 O3 + 1.5490807 + Cinnamyl alcohol + 1.5503812 1.5503812 C02394 Cinnamyl alcohol [ C9 H10 O, mfg=61.59, db=61.56, overall=61.57, CAS ID=104-54-1, KEGG ID=C02394, METLIN ID=65764 ] 104-54-1 (135.08014, 14112.082)(136.08167, 1867.6345)(137.07077, 986.2409)(117.0678, 790.27)(152.10672, 3252.0967) 35 134.0728 Cinnamyl alcohol + 1.5503812 + Sesamex + 1.5498425 1.5498425 C19146 Sesamex [ C15 H22 O6, mfg=96.97, db=96.97, overall=96.97, CAS ID=51-14-9, KEGG ID=C19146, METLIN ID=72887 ] 51-14-9 (619.27246, 4068.297)(620.2767, 1437.6584)(621.27966, 779.89)(299.1487, 39583.027)(300.15283, 7557.1934)(301.15555, 1792.968)(302.1622, 241.06)(281.13818, 2402.725)(316.17557, 8426.756)(317.18182, 2055.8484)(318.17596, 1127.1274)(321.1309, 31640.502)(322.13483, 5722.601)(323.14285, 1039.9017) 36 298.1416 Sesamex + 1.5498425 + a-L-Rhamnose 1.5531787 C00507 a-L-Rhamnose [ C6 H12 O5, mfg=73.15, db=73.12, overall=73.14, CAS ID=6014-42-2, KEGG ID=C00507, METLIN ID=1672 ] 6014-42-2 (165.07593, 14776.349)(166.08745, 1689.8134)(167.08134, 946.975)(147.06468, 1777.3643) 35 164.0686 a-L-Rhamnose + HPF 1.5569327 HPF [ C26 H16 O6, mfg=65.89, db=65.87, overall=65.88, METLIN ID=64737 ] (425.1044, 3369.937)(426.1075, 1009.8046)(427.1058, 605.1) 29 424.0969 HPF + C10 H22 O5 1.5606096 [ C10 H22 O5, mfg=95.60, overall=95.60 ] (445.295, 660.38)(223.15392, 29277.41)(224.15709, 4060.1584)(225.15349, 805.31494)(240.17961, 2446.07)(241.1792, 630.83)(245.13637, 2581.9568)(246.13625, 1189.015) 36 222.1467 C10 H22 O5 + 426.2063@1.5540903 1.5540903 (427.2129, 3252.4226) 21 426.2063 426.2063@1.5540903 + Sethoxydim 1.5755668 C18539 Sethoxydim [ C17 H29 N O3 S, mfg=80.78, db=80.73, overall=80.76, CAS ID=74051-80-2, KEGG ID=C18539, METLIN ID=72345 ] 74051-80-2 (328.19656, 11552.536)(329.20023, 2296.9736)(330.19733, 843.8536)(350.1771, 1325.15) 25 327.1891 Sethoxydim + 208.1316@1.5610303 1.5610303 (417.2657, 1076.4)(209.13814, 9305.235)(210.1418, 3558.9968)(211.1375, 3162.1)(226.1663, 5153.1255)(227.17197, 1084.01)(228.1592, 3873.81) 17 208.1316 208.1316@1.5610303 + C21 H33 N O6 S 1.5587592 [ C21 H33 N O6 S, mfg=82.49, overall=82.49 ] (428.20877, 10404.9795)(429.2147, 2545.538)(430.21875, 1206.0836)(445.23535, 1443.86) 36 427.2016 C21 H33 N O6 S + C19 H24 N6 O4 S 1.5616474 [ C19 H24 N6 O4 S, mfg=89.04, overall=89.04 ] (433.1641, 10905.716)(434.1687, 2604.1763)(435.16904, 1042.8016) 34 432.1565 C19 H24 N6 O4 S + 424.3312@1.5738764 1.5738764 (425.33832, 2617.91)(426.3463, 781.35) 5 424.3312 424.3312@1.5738764 + 874.2608@1.566 1.566 (875.268, 1195.5)(876.2664, 1143.4) 1 874.2608 874.2608@1.566 + C31 H24 N9 O3 1.5730844 [ C31 H24 N9 O3, mfg=76.08, overall=76.08 ] (571.2069, 3626.6833)(572.21027, 1373.4257) 16 570.1996 C31 H24 N9 O3 + 1168.3329@1.5752056 1.5752056 (1169.3403, 1818.7549)(1170.3408, 1243.105)(1171.3394, 1487.755) 2 1168.3329 1168.3329@1.5752056 + 376.1063@1.575829 1.575829 (377.11353, 5006.544)(378.1185, 1209.5013) 10 376.1063 376.1063@1.575829 + 252.1219@1.6066027 1.6066027 (253.1302, 9032.007)(254.13727, 4031.883)(255.12625, 1231.0449)(270.15512, 13015.827)(271.15622, 2777.1057)(272.1564, 1663.98)(275.11176, 5687.1123)(276.11713, 1756.63) 12 252.1219 252.1219@1.6066027 + 1023.2957@1.576276 1.576276 (1024.303, 1941.29)(1025.2999, 923.505)(1026.3007, 912.04) 2 1023.2957 1023.2957@1.576276 + 366.0781@1.5750086 1.5750086 (367.08572, 8429.524)(368.08737, 2839.39)(369.0904, 906.82)(389.06744, 1686.395) 7 366.0781 366.0781@1.5750086 + 205.0221@1.5731872 1.5731872 (411.0512, 1426.3)(206.02945, 5166.985)(207.0329, 857.34) 2 205.0221 205.0221@1.5731872 + C3 H8 O6 1.5766917 [ C3 H8 O6, mfg=43.98, overall=43.98 ] (141.04045, 16846.617)(142.04715, 1244.2456)(143.03265, 10210.915)(144.0365, 879.11)(158.0651, 2055.11) 18 140.0332 C3 H8 O6 + 683.5548@1.6076483 1.6076483 (684.56195, 5051.15)(685.56525, 2449.7131)(686.55597, 830.505) 3 683.5548 683.5548@1.6076483 + 664.9943@1.5654522 1.5654522 (666.00165, 2301.5042)(666.995, 653.2) 5 664.9943 664.9943@1.5654522 + 99.0684@1.5804135 1.5804135 (199.14445, 4468.238)(200.14, 2101.21)(100.07573, 394270.03)(101.07898, 22858.441)(102.0837, 1473.5029) 22 99.0684 99.0684@1.5804135 + 314.1265@1.5505073 1.5505073 (315.13666, 4534.1416)(316.13983, 1432.4226)(332.1581, 1560.74) 5 314.1265 314.1265@1.5505073 + 282.9644@1.5796199 1.5796199 (283.97195, 2969.5151)(284.9728, 809.78)(300.9968, 841.97)(305.9533, 1346.0) 2 282.9644 282.9644@1.5796199 + 168.0284@1.5805875 1.5805875 (169.03572, 2892.71) 3 168.0284 168.0284@1.5805875 + C17 H32 N5 O2 1.6212102 [ C17 H32 N5 O2, mfg=70.83, overall=70.83 ] (339.26285, 4086.1218)(340.26465, 1502.8823)(341.26685, 719.04004)(361.24402, 1179.146)(362.2508, 353.21) 17 338.2559 C17 H32 N5 O2 + C28 H13 N O3 S3 1.5863147 [ C28 H13 N O3 S3, mfg=86.06, overall=86.06 ] (508.01294, 4338.9204)(509.0148, 1494.0294)(510.0174, 907.37) 20 507.0061 C28 H13 N O3 S3 + ?-Caprolactam 1.5871117 C06593 ?-Caprolactam [ C6 H11 N O, mfg=99.93, db=99.93, overall=99.93, CAS ID=105-60-2, KEGG ID=C06593, METLIN ID=44753 ] 105-60-2 (227.17514, 4275.033)(249.1574, 1485.65)(114.09128, 223279.23)(115.0944, 15318.72)(116.099945, 1162.8032) 35 113.084 ?-Caprolactam + 703.0916@1.582 1.582 (704.0989, 1264.97) 1 703.0916 703.0916@1.582 + 116.0475@1.5818058 1.5818058 (117.05483, 5737.0054)(118.0629, 616.92)(99.0451, 1953.78) 6 116.0475 116.0475@1.5818058 + C36 H4 N6 1.5829734 [ C36 H4 N6, mfg=59.41, overall=59.41 ] (521.0591, 2347.024)(522.0576, 1197.8912) 15 520.0519 C36 H4 N6 + Thymine 1.5834508 C00178 Thymine [ C5 H6 N2 O2, mfg=84.71, db=84.71, overall=84.71, CAS ID=65-71-4, KEGG ID=C00178, HMP ID=HMDB00262, METLIN ID=290 ] 65-71-4 (253.09265, 583.72)(127.050224, 102148.0)(128.0539, 6288.418)(129.05406, 7779.604)(130.0568, 515.395) 36 126.0429 Thymine HMDB00262 + C41 H13 N3 O2 1.5845461 [ C41 H13 N3 O2, mfg=61.38, overall=61.38 ] (580.1103, 2511.6125)(581.1049, 1143.8584) 16 579.1029 C41 H13 N3 O2 + 324.004@1.5975038 1.5975038 (325.01233, 1789.6224)(326.01074, 603.6) 8 324.004 324.004@1.5975038 + C20 H5 N3 O6 1.5859098 [ C20 H5 N3 O6, mfg=66.89, overall=66.89 ] (384.0252, 2864.0222)(385.0275, 1009.49274)(406.00705, 1289.8947)(407.00815, 790.735) 31 383.0179 C20 H5 N3 O6 + 80.0262@1.6105705 1.6105705 (178.0876, 1633.02)(81.033516, 3661.527) 7 80.0262 80.0262@1.6105705 + 412.0836@1.6008236 1.6008236 (413.0893, 3413.9075)(414.094, 860.6533)(435.0748, 1446.82) 4 412.0836 412.0836@1.6008236 + C32 H16 N5 S3 1.5848763 [ C32 H16 N5 S3, mfg=82.46, overall=41.23 ] (567.06415, 2432.7468)(568.0656, 1086.7588)(569.06775, 651.31995)(589.04456, 861.54504) 21 566.0567 C32 H16 N5 S3 + DL-2-Aminooctanoic acid 1.6105052 DL-2-Aminooctanoic acid [ C8 H17 N O2, mfg=61.91, db=61.89, overall=61.90, CAS ID=664-90-6, HMP ID=HMDB00991, METLIN ID=5923 ] 664-90-6 (160.13312, 6758.28)(161.13477, 1093.4707)(162.1332, 754.0)(142.12254, 2566.0735) 25 159.1259 DL-2-Aminooctanoic acid HMDB00991 + Thymidine 1.584274 C00214 Thymidine [ C10 H14 N2 O5, mfg=97.79, db=97.76, overall=97.78, CAS ID=50-89-5, KEGG ID=C00214, HMP ID=HMDB00273, METLIN ID=3375 ] 50-89-5 (485.18777, 5557.664)(486.1917, 1688.054)(487.1935, 910.2663)(507.16937, 4897.447)(508.17313, 1417.202)(509.17377, 921.9359)(243.09773, 19815.75)(244.10176, 2946.7722)(245.10033, 1153.6182)(225.0867, 1449.075)(265.0797, 53891.156)(266.08353, 6641.612)(267.08673, 1509.8424) 35 242.0903 Thymidine HMDB00273 + 521.0246@1.587 1.587 (522.0319, 1781.64)(523.0389, 793.61) 1 521.0246 521.0246@1.587 + 220.1121@1.5881523 1.5881523 (221.11932, 54800.266)(222.12201, 5611.275)(223.12782, 1631.2449)(238.14484, 3594.6099)(243.09909, 15701.959)(244.10266, 2271.125)(245.0921, 947.45) 25 220.1121 220.1121@1.5881523 + 280.0458@1.5849295 1.5849295 (281.05328, 1529.1385)(282.0572, 529.1) 7 280.0458 280.0458@1.5849295 + C29 H13 N5 O 1.5860689 [ C29 H13 N5 O, mfg=71.21, overall=71.21 ] (448.11826, 3184.7393)(449.1269, 1053.6366)(470.10074, 1816.8546)(471.0993, 656.935) 16 447.1112 C29 H13 N5 O + 506.162@1.5858877 1.5858877 (507.16904, 4711.7524)(508.17322, 1226.4824)(509.1703, 611.18) 4 506.162 506.162@1.5858877 + 323.9674@1.5863137 1.5863137 (324.9744, 2244.5627)(325.9753, 772.42) 8 323.9674 323.9674@1.5863137 + C22 H8 N4 O6 1.5870172 [ C22 H8 N4 O6, mfg=68.71, overall=68.71 ] (425.05176, 2612.1248)(426.05368, 938.4382) 22 424.0445 C22 H8 N4 O6 + 493.1128@1.590819 1.590819 (494.12277, 5077.4155)(495.12466, 1685.516)(496.12, 1347.3)(516.102, 6623.037)(517.105, 1741.1465)(518.1031, 1025.32) 7 493.1128 493.1128@1.590819 + 229.0411@1.6041157 1.6041157 (459.0864, 783.93)(481.07132, 7883.2905)(482.07504, 1978.2266)(483.07144, 1233.825)(230.05011, 16327.792)(231.05165, 2741.135)(232.04707, 1873.8467)(212.0416, 706.93)(252.03336, 22819.238)(253.03638, 2203.648)(254.03305, 683.255) 9 229.0411 229.0411@1.6041157 + 164.1048@1.5981152 1.5981152 (165.11197, 17731.656)(166.11855, 2363.714)(167.11105, 1135.8955)(147.1001, 2778.8025)(148.103, 1151.54)(182.13863, 9692.039)(183.1411, 1452.5762)(184.1347, 854.095)(187.09445, 6365.1133)(188.09976, 1254.4213) 26 164.1048 164.1048@1.5981152 + 88.0525@1.5981877 1.5981877 (89.05975, 7628.7354)(90.0615, 601.745) 4 88.0525 88.0525@1.5981877 + 268.0419@1.597 1.597 (269.0492, 1063.68) 1 268.0419 268.0419@1.597 + C14 H31 N O8 1.6176519 [ C14 H31 N O8, mfg=72.65, overall=72.65 ] (342.2121, 17999.367)(343.21616, 3777.1763)(344.2177, 3709.13)(364.1952, 713.29) 35 341.2049 C14 H31 N O8 + 5-Aminopentanamide 1.6189432 C00990 5-Aminopentanamide [ C5 H12 N2 O, mfg=47.43, db=47.42, overall=47.43, CAS ID=13023-70-6, KEGG ID=C00990, HMP ID=HMDB12176, METLIN ID=62837 ] 13023-70-6 (117.10207, 6278.8813) 20 116.0947 5-Aminopentanamide HMDB12176 + C11 H21 N8 O2 1.6212269 [ C11 H21 N8 O2, mfg=76.24, overall=76.24 ] (298.18564, 16064.672)(299.1874, 3528.835) 36 297.1784 C11 H21 N8 O2 + C13 H28 O6 1.6281986 [ C13 H28 O6, mfg=93.78, overall=93.78 ] (281.1958, 44257.05)(282.19876, 7105.331)(283.1945, 1801.4586)(298.2219, 24930.605)(299.2259, 4718.247)(303.17743, 1673.1959) 37 280.1884 C13 H28 O6 + 207.0537@1.6342051 1.6342051 (437.096, 1120.43)(208.06119, 6931.314)(209.06316, 1434.566)(190.0506, 921.67)(230.043, 4712.806) 10 207.0537 207.0537@1.6342051 + C20 H36 N2 O3 1.6355695 [ C20 H36 N2 O3, mfg=74.55, overall=74.55 ] (353.27927, 4626.989)(354.28262, 1483.2563)(355.28412, 803.55286)(335.2678, 593.84)(375.25946, 1385.2675)(376.2627, 759.82) 24 352.2715 C20 H36 N2 O3 + 242.1992@1.6383109 1.6383109 (243.20659, 9853.515)(244.20511, 2421.2122)(245.2123, 843.11)(265.1864, 2271.1934) 11 242.1992 242.1992@1.6383109 + Indole-3-acetaldoxime N-oxide 1.6340783 C17204 Indole-3-acetaldoxime N-oxide [ C10 H10 N2 O2, mfg=80.27, db=80.26, overall=80.26, KEGG ID=C17204, METLIN ID=71605 ] (381.1547, 715.5)(191.08163, 20139.377)(192.08662, 2748.8083) 17 190.0742 Indole-3-acetaldoxime N-oxide + 256.2147@1.6391042 1.6391042 (257.2221, 4524.37)(258.2245, 1026.5651) 4 256.2147 256.2147@1.6391042 + 655.5237@1.674741 1.674741 (656.5307, 6422.2227)(657.5343, 2611.9875)(658.5251, 1160.3525) 4 655.5237 655.5237@1.674741 + C8 H26 Cl N9 1.6481801 [ C8 H26 Cl N9, mfg=69.32, overall=69.32 ] (284.20615, 6702.9155)(285.21008, 1430.7126)(286.2019, 1667.905) 17 283.1989 C8 H26 Cl N9 + N-Valerylglycine methyl ester 1.648754 N-Valerylglycine methyl ester [ C8 H15 N O3, mfg=74.29, db=74.50, overall=74.40, HMP ID=HMDB00681, METLIN ID=5650 ] (347.2173, 893.16)(364.2433, 604.39)(174.11243, 13707.151)(175.11409, 2787.694)(176.1029, 1191.65)(156.10196, 18605.049)(157.1014, 2110.655)(158.0933, 706.67)(191.139, 910.16)(196.09561, 9302.529)(197.0975, 1612.8224) 35 173.1057 N-Valerylglycine methyl ester HMDB00681 + C9 H14 N2 O3 1.6512227 [ C9 H14 N2 O3, mfg=71.01, overall=71.01 ] (397.212, 793.85)(199.1079, 11536.349)(200.10927, 2016.0808)(201.10727, 913.69745)(221.0907, 2377.0232)(222.0931, 1104.5) 24 198.1006 C9 H14 N2 O3 + 3,3''-Biflaviolin 1.6538016 C18013 3,3''-Biflaviolin [ C20 H10 O10, mfg=54.52, db=54.22, overall=54.37, KEGG ID=C18013, METLIN ID=72005 ] (411.0377, 3835.6975)(412.03937, 1170.9819)(433.018, 675.46497) 30 410.0295 3,3''-Biflaviolin + 552.0433@1.6573844 1.6573844 (553.0498, 2408.295)(554.0498, 956.9125)(575.0287, 838.52) 4 552.0433 552.0433@1.6573844 + 2''-Deoxyuridine 1.6537197 C00526 2''-Deoxyuridine [ C9 H12 N2 O5, mfg=96.09, db=96.08, overall=96.08, CAS ID=951-78-0, KEGG ID=C00526, METLIN ID=91 ] 951-78-0 (457.1563, 3863.3865)(458.15884, 1387.104)(459.16193, 1045.905)(479.13818, 1595.3508)(480.14374, 764.5)(229.08206, 4185.751)(230.08804, 1203.3875)(211.0718, 1015.89)(251.06403, 33458.285)(252.06647, 4558.638)(253.06978, 1182.715) 17 228.0748 2''-Deoxyuridine + 597.0766@1.652191 1.652191 (598.0843, 1676.5468)(599.08795, 996.1875)(620.0666, 630.41) 6 597.0766 597.0766@1.652191 + C20 H38 N5 O3 1.6546794 [ C20 H38 N5 O3, mfg=64.87, overall=64.87 ] (397.30557, 3799.8901)(398.30676, 1382.4427)(419.28656, 1719.23) 14 396.2984 C20 H38 N5 O3 + C9 H8 N5 O4 1.6529477 [ C9 H8 N5 O4, mfg=91.86, overall=45.93 ] (501.1201, 828.08624)(251.064, 18887.637)(252.06676, 2664.1484)(253.06882, 963.245)(273.04666, 946.655) 26 250.0567 C9 H8 N5 O4 + Uracil 1.6533031 C00106 Uracil [ C4 H4 N2 O2, mfg=86.86, db=86.86, overall=86.86, CAS ID=66-22-8, KEGG ID=C00106, HMP ID=HMDB00300, METLIN ID=258 ] 66-22-8 (113.03441, 18166.133)(114.0375, 1169.6688) 36 112.0271 Uracil HMDB00300 + 504.1281@1.6629562 1.6629562 (505.135, 3047.08)(506.13794, 1060.5566)(507.1341, 650.4) 3 504.1281 504.1281@1.6629562 + C13 H8 N3 1.6493795 [ C13 H8 N3, mfg=59.29, overall=59.29 ] (207.07704, 10102.587)(208.0827, 2259.7444)(229.0592, 747.32) 19 206.0698 C13 H8 N3 + 551.0709@1.6597849 1.6597849 (552.07874, 1952.5042)(553.0795, 825.8)(574.0585, 772.9) 5 551.0709 551.0709@1.6597849 + 294.0655@1.6613804 1.6613804 (295.07208, 3064.39)(296.0815, 557.27) 4 294.0655 294.0655@1.6613804 + 116.0479@1.6701937 1.6701937 (117.055145, 6098.495) 2 116.0479 116.0479@1.6701937 + C26 H9 N8 1.6554747 [ C26 H9 N8, mfg=76.16, overall=76.16 ] (434.10306, 3133.572)(435.10254, 946.9175)(456.08536, 1766.9519)(457.0856, 979.76) 14 433.096 C26 H9 N8 + 424.0439@1.6551827 1.6551827 (425.0515, 1846.4565)(426.0539, 801.0575) 9 424.0439 424.0439@1.6551827 + 338.2301@1.6591543 1.6591543 (339.23755, 3776.9216)(340.23892, 1320.0133)(356.2641, 12788.507)(357.26755, 2639.878)(358.26587, 887.625) 16 338.2301 338.2301@1.6591543 + C25 H5 O2 S 1.6555135 [ C25 H5 O2 S, mfg=59.19, overall=59.19 ] (370.00946, 1875.58)(371.01163, 799.37994)(391.99124, 1910.9684)(392.99448, 1015.3934) 13 369.0016 C25 H5 O2 S + 597.4808@1.66 1.66 (598.4881, 2300.6)(599.4919, 964.93)(600.4688, 3306.5) 1 597.4808 597.4808@1.66 + 159.028@1.663 1.663 (160.0353, 2979.15) 1 159.028 159.028@1.663 + 408.2117@1.672 1.672 (409.219, 2939.62) 1 408.2117 408.2117@1.672 + Decarbamoylsaxitoxin 1.6776861 C20021 Decarbamoylsaxitoxin [ C9 H16 N6 O3, mfg=59.74, db=59.74, overall=59.74, CAS ID=58911-04-9, KEGG ID=C20021, METLIN ID=73506 ] 58911-04-9 (257.1363, 6555.4385)(258.13712, 1510.7457)(259.13275, 1107.482)(239.1269, 1991.26) 31 256.1289 Decarbamoylsaxitoxin + 251.1737@1.6775106 1.6775106 (252.18051, 4511.4014)(253.1807, 1265.3677)(254.17169, 1457.615) 15 251.1737 251.1737@1.6775106 + C18 H32 N2 O3 1.6770208 [ C18 H32 N2 O3, mfg=73.91, overall=73.91 ] (325.24774, 6530.5005)(326.2515, 1708.8955)(327.25662, 978.98663)(347.22928, 1909.7786)(348.23032, 1067.9633) 15 324.2403 C18 H32 N2 O3 + 232.0613@1.685758 1.685758 (233.06885, 2643.205)(234.0789, 1099.5)(235.0749, 1162.33) 2 232.0613 232.0613@1.685758 + 128.0945@1.6826141 1.6826141 (129.102, 14472.266)(130.10394, 1611.745) 2 128.0945 128.0945@1.6826141 + C15 H17 Cl N2 O S 1.6682366 [ C15 H17 Cl N2 O S, mfg=68.05, overall=68.05 ] (309.08203, 2705.7788)(310.08228, 939.972)(311.0804, 1021.6) 15 308.0719 C15 H17 Cl N2 O S + 370.0234@1.69 1.69 (371.0307, 1464.36) 1 370.0234 370.0234@1.69 + L-Norleucine 1.6932186 C01933 L-Norleucine [ C6 H13 N O2, mfg=78.87, db=78.87, overall=78.87, CAS ID=327-57-1, Lipid ID=LMFA01100042, KEGG ID=C01933, HMP ID=HMDB01645, METLIN ID=6334 ] 327-57-1 (132.10167, 84056.5)(133.1043, 7427.0723)(134.115, 5563.2)(114.09105, 6256.4077)(115.091354, 1015.005)(154.08508, 2854.7737) 37 131.0944 L-Norleucine HMDB01645 + LMFA01100042 232.1282@1.6944205 1.6944205 (233.1363, 4280.7397)(234.1462, 985.67334) 3 232.1282 232.1282@1.6944205 + C9 H17 N8 O2 1.6970856 [ C9 H17 N8 O2, mfg=68.49, overall=68.49 ] (539.3102, 667.49)(270.15485, 8811.395)(271.1563, 2268.6187)(272.16153, 1420.9418) 33 269.1479 C9 H17 N8 O2 + 1-Phenyl-2-(diethylamino)-1-propanol 1.7104056 1-Phenyl-2-(diethylamino)-1-propanol [ C13 H21 N O, db=70.68, overall=70.68, CAS ID=18259-38-6, METLIN ID=2014 ] 18259-38-6 (208.16954, 7559.5195)(209.17322, 2736.0635)(210.1767, 1226.12) 17 207.1623 1-Phenyl-2-(diethylamino)-1-propanol + 157.0892@1.6569346 1.6569346 (158.09647, 15944.837)(159.09827, 2448.8267)(160.0973, 2071.34) 3 157.0892 157.0892@1.6569346 + C11 H24 N5 O 1.6991997 [ C11 H24 N5 O, mfg=68.50, overall=68.50 ] (243.20668, 10075.949)(244.20442, 2033.3291)(245.20059, 687.135)(265.18793, 2810.372)(266.185, 1234.7949)(267.1774, 2450.56) 18 242.1991 C11 H24 N5 O + 518.1072@1.704 1.704 (519.1145, 1738.32)(520.119, 595.87) 1 518.1072 518.1072@1.704 + 409.1791@1.610298 1.610298 (410.18375, 1108.0333)(411.1746, 601.3)(427.214, 2295.325)(432.16815, 2526.0723) 6 409.1791 409.1791@1.610298 + C30 H43 N2 S 1.6918788 [ C30 H43 N2 S, mfg=94.69, overall=94.69 ] (464.32224, 5032.656)(465.32486, 1789.4639)(466.3237, 750.58624)(446.3078, 822.0) 29 463.3149 C30 H43 N2 S + 244.0699@1.7097486 1.7097486 (511.12878, 1913.8726)(512.1339, 1157.44)(245.07793, 8139.932)(246.08176, 1756.775)(247.0728, 1485.34)(262.1098, 1355.05)(267.05902, 15265.713)(268.06198, 2779.0)(269.0627, 685.29) 8 244.0699 244.0699@1.7097486 + C11 H13 N O2 S 1.7089213 [ C11 H13 N O2 S, mfg=84.05, overall=84.05 ] (224.07423, 15544.374)(225.07889, 2647.748)(226.07475, 1469.0693)(241.1027, 1344.61)(246.05632, 1317.5101) 32 223.0668 C11 H13 N O2 S + 85.0526@1.708664 1.708664 (193.09467, 8077.778)(194.0977, 1832.2999)(86.05988, 9688.151)(87.05764, 1522.3434) 11 85.0526 85.0526@1.708664 + 205.0218@1.709 1.709 (206.0291, 2184.7)(207.0338, 1401.64) 1 205.0218 205.0218@1.709 + 366.0839@1.7189667 1.7189667 (367.09213, 2859.0327)(368.09488, 956.5567) 8 366.0839 366.0839@1.7189667 + Uracil + 1.7113016 1.7113016 C00106 Uracil [ C4 H4 N2 O2, mfg=77.88, db=77.88, overall=77.88, CAS ID=66-22-8, KEGG ID=C00106, HMP ID=HMDB00300, METLIN ID=258 ] 66-22-8 (113.03455, 10031.398)(114.037476, 1210.2115)(115.0393, 946.80493)(130.06255, 1439.2032) 27 112.0272 Uracil + 1.7113016 HMDB00300 + 427.1088@1.7122204 1.7122204 (428.11658, 1853.42)(429.1245, 557.87)(450.098, 5687.24)(451.0993, 1558.76) 2 427.1088 427.1088@1.7122204 + C10 H24 S2 1.7146494 [ C10 H24 S2, mfg=83.81, overall=83.81 ] (209.13841, 37028.027)(210.1403, 6240.502)(211.1399, 4160.6753)(226.1667, 5906.809)(227.16968, 1338.8121)(228.1586, 555.32)(231.12163, 3193.1545)(232.12366, 698.05005) 36 208.1312 C10 H24 S2 + C33 H2 N2 1.7118919 [ C33 H2 N2, mfg=73.38, overall=73.38 ] (427.03058, 2134.55)(428.03284, 814.00336) 8 426.023 C33 H2 N2 + 583.0622@1.7116374 1.7116374 (584.0688, 2618.45)(585.0716, 939.65)(586.0832, 632.93)(606.0504, 839.31) 3 583.0622 583.0622@1.7116374 + C8 H19 N O3 S 1.7148126 [ C8 H19 N O3 S, mfg=79.50, overall=79.50 ] (441.20654, 713.245)(210.1152, 18295.45)(211.11583, 2380.7249)(212.1214, 1601.0033) 31 209.1078 C8 H19 N O3 S + C8 H22 N9 S2 1.7165351 [ C8 H22 N9 S2, mfg=47.53, overall=47.53 ] (309.1514, 6705.5967) 17 308.1442 C8 H22 N9 S2 + C15 H8 Cl N7 S2 1.7133831 [ C15 H8 Cl N7 S2, mfg=47.62, overall=47.62 ] (386.0043, 2130.1387)(387.00632, 992.595)(407.98633, 1264.513) 12 384.9971 C15 H8 Cl N7 S2 + C22 H17 N2 1.7152776 [ C22 H17 N2, mfg=82.99, overall=41.50 ] (310.14795, 12875.875)(311.1523, 3359.1838)(312.15298, 1037.0326)(292.13574, 977.55505)(327.17575, 1313.7529) 35 309.1406 C22 H17 N2 + 242.0676@1.723166 1.723166 (243.07545, 2440.0898)(244.0784, 713.5) 2 242.0676 242.0676@1.723166 + 213.0666@1.7195632 1.7195632 (214.07385, 7880.7686) 27 213.0666 213.0666@1.7195632 + 2,4-Dihydroxybenzophenone 1.7193168 C14215 2,4-Dihydroxybenzophenone [ C13 H10 O3, mfg=83.20, db=83.20, overall=83.20, CAS ID=131-56-6, KEGG ID=C14215, METLIN ID=69882 ] 131-56-6 (215.06995, 29620.541)(216.0765, 2670.6196)(217.07365, 932.60803) 36 214.0626 2,4-Dihydroxybenzophenone + 100.0332@1.7219099 1.7219099 (201.07175, 739.04504)(101.040474, 1845.0078)(118.0656, 641.69) 9 100.0332 100.0332@1.7219099 + C8 H17 N4 O9 1.7189957 [ C8 H17 N4 O9, mfg=47.62, overall=47.62 ] (314.10684, 4819.8413) 19 313.0996 C8 H17 N4 O9 + 1084.2908@1.7244831 1.7244831 (1085.2977, 1154.2001)(1086.2996, 984.49335)(1087.2977, 1096.41)(1088.2976, 632.5) 3 1084.2908 1084.2908@1.7244831 + (-)-Epinephrine 1.7228727 C00788 (-)-Epinephrine [ C9 H13 N O3, mfg=88.90, db=88.89, overall=88.89, CAS ID=51-43-4, KEGG ID=C00788, METLIN ID=62 ] 51-43-4 (184.09665, 21691.342)(185.10002, 3029.885)(186.0974, 1057.375)(206.0813, 1618.13) 20 183.0894 (-)-Epinephrine + 1158.3073@1.7235371 1.7235371 (1159.3156, 1455.0225)(1160.3174, 1461.8301)(1161.3168, 1270.905)(1162.3168, 863.45) 4 1158.3073 1158.3073@1.7235371 + C11 H18 N6 O S2 1.7209738 [ C11 H18 N6 O S2, mfg=79.88, overall=79.88 ] (629.1936, 855.82)(315.10455, 9117.919)(316.1122, 1395.0195)(317.10962, 749.70996) 31 314.0973 C11 H18 N6 O S2 + 79.0419@1.7315385 1.7315385 (80.0493, 2325.7964) 14 79.0419 79.0419@1.7315385 + C17 H29 N8 1.7363702 [ C17 H29 N8, mfg=72.55, overall=72.55 ] (691.5117, 843.67)(346.25854, 4945.325)(347.26044, 1522.113) 31 345.2513 C17 H29 N8 + 1306.3475@1.7264739 1.7264739 (1307.3523, 1120.4572)(1308.3531, 1138.2057)(1309.3527, 1222.1843)(1310.3525, 800.53326)(1311.3534, 555.93) 7 1306.3475 1306.3475@1.7264739 + Diltiazem 1.7256956 C06958 Diltiazem [ C22 H26 N2 O4 S, mfg=58.65, db=58.17, overall=58.41, CAS ID=42399-41-7, KEGG ID=C06958, METLIN ID=2268 ] 42399-41-7 (415.1694, 3053.1365)(416.17532, 947.6191) 27 414.1643 Diltiazem + 1232.3281@1.725902 1.725902 (1233.3342, 1307.8486)(1234.3341, 1373.0785)(1235.3351, 1241.1357)(1236.3346, 733.35) 7 1232.3281 1232.3281@1.725902 + 132.0787@1.732821 1.732821 (282.19113, 1402.7965)(287.1468, 1404.25)(133.0862, 11400.234)(134.0892, 1436.2937)(135.08286, 769.45496) 16 132.0787 132.0787@1.732821 + Niacinamide 1.7314665 C00153 Niacinamide [ C6 H6 N2 O, mfg=99.40, db=99.40, overall=99.40, CAS ID=98-92-0, KEGG ID=C00153, HMP ID=HMDB01406, METLIN ID=1497 ] 98-92-0 (267.0829, 1130.63)(123.05523, 2081925.4)(124.058556, 137459.84)(125.06383, 8128.2744) 37 122.0479 Niacinamide HMDB01406 + C6 H14 O4 + 1.7318975 1.7318975 [ C6 H14 O4, mfg=99.12, overall=99.12 ] (151.09666, 212071.58)(152.10083, 14056.524)(153.10078, 2937.707)(168.1231, 83992.61)(169.12624, 7014.395)(170.12299, 1488.8484)(173.07863, 42667.594)(174.08276, 3355.034) 37 150.0893 C6 H14 O4 + 1.7318975 + 271.0727@1.726873 1.726873 (272.08008, 2297.852) 5 271.0727 271.0727@1.726873 + Butyric acid 1.7315768 C00246 Butyric acid [ C4 H8 O2, mfg=84.67, db=84.67, overall=84.67, CAS ID=107-92-6, Lipid ID=LMFA01010004, KEGG ID=C00246, HMP ID=HMDB00039, METLIN ID=107 ] 107-92-6 (89.05974, 21983.004)(90.06241, 1491.6528)(91.05455, 819.205)(106.0866, 663.36) 26 88.0524 Butyric acid HMDB00039 + LMFA01010004 2''-Hydroxydihydrodaidzein 1.7302556 C03567 2''-Hydroxydihydrodaidzein [ C15 H12 O5, mfg=83.39, db=83.33, overall=83.36, Lipid ID=LMPK12050463, KEGG ID=C03567, METLIN ID=47967 ] (273.07596, 5404.4966)(274.0801, 1014.0081) 29 272.069 2''-Hydroxydihydrodaidzein + LMPK12050463 371.1046@1.737 1.737 (372.1119, 1636.25) 1 371.1046 371.1046@1.737 + N-Hydroxy-1-aminonaphthalene 1.7373525 C14789 N-Hydroxy-1-aminonaphthalene [ C10 H9 N O, mfg=41.27, db=75.22, overall=58.24, CAS ID=607-30-7, KEGG ID=C14789, METLIN ID=70323 ] 607-30-7 (341.12457, 12625.051)(342.1283, 2933.0046) 27 340.1171 N-Hydroxy-1-aminonaphthalene + 235.1571@1.7488227 1.7488227 (236.16422, 9858.434)(237.16414, 2379.893)(238.16905, 868.87) 15 235.1571 235.1571@1.7488227 + 398.1695@1.7411406 1.7411406 (399.17804, 2693.154)(400.1818, 945.4466) 15 398.1695 398.1695@1.7411406 + 409.1753@1.7320526 1.7320526 (410.18213, 1489.44)(411.1774, 867.77) 2 409.1753 409.1753@1.7320526 + 3,4-Dihydroxybenzylamine 1.7464333 3,4-Dihydroxybenzylamine [ C7 H9 N O2, mfg=47.61, db=71.63, overall=59.62, CAS ID=37491-68-2, KEGG ID=, HMP ID=HMDB12153, METLIN ID=62817 ] 37491-68-2 (157.0972, 15114.231)(158.0995, 2557.345) 17 156.0898 3,4-Dihydroxybenzylamine HMDB12153 + C16 H30 N5 O2 1.7452797 [ C16 H30 N5 O2, mfg=72.73, overall=72.73 ] (325.24768, 5812.906)(326.24997, 2046.499)(327.25507, 702.87335)(347.22946, 1907.3247)(348.2317, 1061.398)(349.2163, 764.31) 22 324.2402 C16 H30 N5 O2 + 613.4763@1.7572063 1.7572063 (614.4836, 7641.0376)(615.4849, 2837.4424)(616.484, 1015.985)(636.4611, 788.45) 15 613.4763 613.4763@1.7572063 + C13 H33 N4 O S2 1.7559279 [ C13 H33 N4 O S2, mfg=69.98, overall=69.98 ] (326.2176, 7308.4263)(327.21698, 1929.8054)(328.20734, 999.0444)(348.2017, 847.66) 25 325.2105 C13 H33 N4 O S2 + 211.1212@1.756 1.756 (212.1294, 3813.86)(229.1542, 3994.58) 1 211.1212 211.1212@1.756 + C19 H22 N10 O3 1.7616134 [ C19 H22 N10 O3, mfg=78.65, overall=78.65 ] (439.19412, 3834.4744)(440.1984, 1064.973) 11 438.1868 C19 H22 N10 O3 + 4-Nitroaniline 1.7614093 C02126 4-Nitroaniline [ C6 H6 N2 O2, mfg=98.30, db=98.30, overall=98.30, CAS ID=100-01-6, KEGG ID=C02126, METLIN ID=65716 ] 100-01-6 (139.05032, 109951.086)(140.05258, 9330.076)(141.0607, 1379.941)(161.03207, 910.304) 36 138.043 4-Nitroaniline + Lys Thr Trp 1.7659953 Lys Thr Trp [ C21 H31 N5 O5, mfg=71.16, db=71.15, overall=71.16, METLIN ID=21283 ] (434.23846, 4671.172)(435.24124, 1560.7999)(436.2515, 721.78) 13 433.2311 Lys Thr Trp + 262.1435@1.769043 1.769043 (263.15045, 1651.325)(285.1316, 4104.925)(286.134, 1393.67) 2 262.1435 262.1435@1.769043 + 159.0897@1.7722211 1.7722211 (319.1827, 816.06)(336.2155, 1426.85)(160.09666, 3400.7603)(161.10559, 889.245)(162.0883, 1032.99)(142.08624, 13933.916)(143.08638, 2116.06)(182.0798, 5780.52)(183.07906, 1136.6338) 11 159.0897 159.0897@1.7722211 + 683.5545@1.7690859 1.7690859 (684.56213, 5205.2197)(685.56555, 2472.522)(686.552, 885.63336) 5 683.5545 683.5545@1.7690859 + 141.079@1.7720706 1.7720706 (142.08633, 13294.075)(143.08644, 1789.003)(144.0758, 804.52) 22 141.079 141.079@1.7720706 + Hexazinone 1.7872953 C10926 Hexazinone [ C12 H20 N4 O2, mfg=88.79, db=88.44, overall=88.62, CAS ID=51235-04-2, KEGG ID=C10926, METLIN ID=68694 ] 51235-04-2 (253.1647, 16129.632)(254.1645, 3176.2915)(255.16652, 743.93427)(270.1912, 43079.625)(271.19458, 6216.6157)(272.19205, 1741.3331)(275.14813, 753.935) 37 252.1573 Hexazinone + C37 H63 N2 O2 S 1.7936847 [ C37 H63 N2 O2 S, mfg=95.40, overall=95.40 ] (600.46796, 5928.113)(601.47125, 2264.2869)(602.47156, 914.22003) 13 599.4607 C37 H63 N2 O2 S + C12 H26 O6 1.8045832 [ C12 H26 O6, mfg=99.83, overall=99.83 ] (267.18027, 98081.92)(268.1836, 13503.161)(269.18494, 2552.633)(284.20667, 63192.098)(285.21, 9010.13)(286.2122, 1684.5612)(289.16306, 2713.6108)(290.16452, 923.35913)(291.16205, 647.91003) 37 266.1729 C12 H26 O6 + 3-Hydroxy-4-methylanthranilate 1.8311125 C03986 3-Hydroxy-4-methylanthranilate [ C8 H9 N O3, mfg=95.00, db=94.99, overall=94.99, KEGG ID=C03986, METLIN ID=66092 ] (168.06564, 29153.617)(169.06918, 2933.0132)(170.0794, 666.59)(150.055, 8987.284)(151.05788, 1188.9584)(185.0916, 978.29)(190.0452, 1182.5) 31 167.0584 3-Hydroxy-4-methylanthranilate + C13 H25 N8 O3 1.8219099 [ C13 H25 N8 O3, mfg=80.12, overall=80.12 ] (342.21198, 8361.078)(343.21518, 1857.1399) 33 341.2048 C13 H25 N8 O3 + 288.1564@1.82 1.82 (289.1637, 2865.27)(290.1716, 636.08) 1 288.1564 288.1564@1.82 + 763.5409@1.8327395 1.8327395 (764.54846, 1560.8724)(765.5519, 1048.932)(766.5585, 742.0)(781.5751, 2203.6543)(782.5771, 1309.9398)(783.5881, 1320.36)(786.5312, 1549.9844)(787.5356, 934.9383)(788.5476, 1175.98) 8 763.5409 763.5409@1.8327395 + C14 H34 N3 O S2 1.8501773 [ C14 H34 N3 O S2, mfg=93.81, overall=93.81 ] (325.2217, 9545.278)(326.22452, 2219.9546)(327.21832, 1054.968)(342.24826, 38697.81)(343.25174, 6918.399)(344.2454, 1920.7769)(345.2565, 187.085)(347.20413, 948.4986) 34 324.2145 C14 H34 N3 O S2 + 372.0402@1.8528149 1.8528149 (373.0471, 2803.295)(374.0493, 661.76) 4 372.0402 372.0402@1.8528149 + 205.0217@1.853435 1.853435 (206.02907, 2130.7224) 4 205.0217 205.0217@1.853435 + L-alpha-Aspartyl-L-hydroxyproline 1.8584633 L-alpha-Aspartyl-L-hydroxyproline [ C9 H14 N2 O6, mfg=47.33, db=97.69, overall=72.51, HMP ID=HMDB11160, METLIN ID=62009 ] (269.07468, 35702.52)(270.07812, 3974.1267)(271.07947, 1375.1328) 24 268.0673 L-alpha-Aspartyl-L-hydroxyproline HMDB11160 + 5,6-Dihydrouridine 1.8640534 5,6-Dihydrouridine [ C9 H14 N2 O6, mfg=93.77, db=93.73, overall=93.75, CAS ID=5627-05-4, HMP ID=HMDB00497, METLIN ID=5483 ] 5/4/5627 (247.09274, 11183.009)(248.09715, 1750.5009)(229.08438, 1684.34)(269.07465, 19482.945)(270.0788, 2275.7588)(271.0804, 968.6343) 33 246.0854 5,6-Dihydrouridine HMDB00497 + C27 H36 N4 O4 1.8590349 [ C27 H36 N4 O4, mfg=69.59, overall=34.80 ] (480.27792, 12228.236)(481.28165, 3948.9175)(482.28146, 1445.4366)(462.26813, 2141.54)(463.2724, 1361.2859)(464.2682, 898.19) 20 479.2704 C27 H36 N4 O4 + D-Proline 1.8627179 C00763 D-Proline [ C5 H9 N O2, mfg=86.43, db=86.42, overall=86.43, CAS ID=344-25-2, KEGG ID=C00763, HMP ID=HMDB03411, METLIN ID=58150 ] 344-25-2 (116.070206, 34896.695)(117.07323, 2446.572)(98.061005, 2885.77) 26 115.063 D-Proline HMDB03411 + Geniposidic acid 1.8674428 C11673 Geniposidic acid [ C16 H22 O10, mfg=48.19, db=48.16, overall=48.17, CAS ID=27741-01-1, KEGG ID=C11673, METLIN ID=64052 ] 27741-01-1 (375.1303, 2773.8396)(376.13782, 961.5508)(377.1272, 364.95) 18 374.1233 Geniposidic acid + 591.3266@1.8793807 1.8793807 (592.334, 15866.116)(593.33765, 5652.584)(594.33954, 1346.8901) 9 591.3266 591.3266@1.8793807 + C26 H43 N O6 S 1.8587264 [ C26 H43 N O6 S, mfg=95.57, overall=95.57 ] (498.2881, 16796.232)(499.29834, 5640.768)(500.29556, 2008.8502)(501.29218, 764.25)(480.27786, 14725.2705)(481.28143, 4688.9727)(482.28152, 1697.7892)(483.27866, 742.185) 34 497.2809 C26 H43 N O6 S + C43 H71 N5 O3 S 1.8609821 [ C43 H71 N5 O3 S, mfg=90.43, overall=90.43 ] (1476.0557, 1330.23)(1498.0385, 796.33)(1499.0435, 751.98)(738.53485, 4984.1465)(739.53784, 2516.0703)(740.5403, 1199.4636)(755.5601, 9076.141)(756.5636, 4487.1274)(757.5645, 1711.8711)(758.5685, 646.757)(760.51556, 10742.341)(761.51874, 5128.6816)(762.52057, 2053.016)(763.523, 695.97) 36 737.5265 C43 H71 N5 O3 S + 530.3381@1.8655052 1.8655052 (531.3453, 2389.9167)(532.35364, 1168.4719)(553.3305, 759.2) 6 530.3381 530.3381@1.8655052 + C23 H45 S3 1.8733855 [ C23 H45 S3, mfg=73.30, overall=73.30 ] (418.279, 3839.7058)(419.28183, 1286.1367)(420.2663, 867.42) 32 417.2717 C23 H45 S3 + Allantoin 1.8813473 C01551 Allantoin [ C4 H6 N4 O3, mfg=98.99, db=98.55, overall=98.77, CAS ID=97-59-6, KEGG ID=C01551, HMP ID=HMDB00462, METLIN ID=89 ] 97-59-6 (317.09537, 13645.969)(318.0981, 1849.9839)(319.10083, 866.30505)(339.07718, 10651.96)(340.07996, 1410.4199)(159.05142, 192265.22)(160.05438, 10787.544)(161.05992, 1833.0968)(176.077, 1641.96)(181.03325, 164992.1)(182.03625, 8868.428)(183.03783, 1688.6093) 37 158.0441 Allantoin HMDB00462 + C3 H2 N2 O2 1.8835063 [ C3 H2 N2 O2, mfg=98.25, overall=98.25 ] (99.018906, 1776.6099)(116.04534, 53055.38)(117.04878, 2248.38)(118.049706, 851.4) 17 98.0115 C3 H2 N2 O2 + 87.0436@1.8814503 1.8814503 (88.05076, 2830.8098) 3 87.0436 87.0436@1.8814503 + 379.9918@1.8967813 1.8967813 (380.99902, 1360.28)(382.0012, 531.2)(362.98865, 2704.0032)(363.9916, 973.12) 4 379.9918 379.9918@1.8967813 + Urea 1.8798817 C00086 Urea [ C H4 N2 O, db=86.74, overall=86.74, CAS ID=57-13-6, KEGG ID=C00086, HMP ID=HMDB00294, METLIN ID=6 ] 57-13-6 (61.03963, 17029.764)(62.04145, 588.0) 34 60.0324 Urea HMDB00294 + 398.0029@1.8879452 1.8879452 (399.00992, 2271.8499)(400.01514, 1286.7781)(380.9993, 1035.4166)(382.0054, 907.76) 9 398.0029 398.0029@1.8879452 + C30 H17 O10 S 1.8823814 [ C30 H17 O10 S, mfg=96.40, overall=96.40 ] (570.0613, 7003.272)(571.06354, 2164.837)(572.0641, 860.97626) 36 569.0537 C30 H17 O10 S + 239.9588@1.8839976 1.8839976 (240.96622, 3080.484)(241.97025, 970.751) 21 239.9588 239.9588@1.8839976 + C40 H42 N2 O 1.8836176 [ C40 H42 N2 O, mfg=92.19, overall=92.19 ] (567.33875, 32576.826)(568.34314, 12270.24)(569.3466, 3423.5708)(570.3491, 1942.04)(549.32935, 1127.375)(589.3203, 29238.188)(590.324, 13707.613)(591.3267, 4307.31) 26 566.3314 C40 H42 N2 O + C23 H9 N4 1.8830664 [ C23 H9 N4, mfg=78.03, overall=78.03 ] (342.09027, 5833.633)(343.0934, 1133.3805)(364.0728, 1179.11) 30 341.0831 C23 H9 N4 + 5?-Chola-3,8(14),11-trien-24-oic Acid 1.8787795 5?-Chola-3,8(14),11-trien-24-oic Acid [ C24 H34 O2, mfg=47.00, db=95.00, overall=71.00, METLIN ID=42906 ] (373.2725, 13197.104)(374.27756, 3612.1113)(375.2781, 2072.845)(355.2627, 23212.996)(356.26685, 6794.641)(357.2702, 1552.4338)(358.2621, 639.01) 18 372.2659 5?-Chola-3,8(14),11-trien-24-oic Acid + 113.0228@1.8803325 1.8803325 (114.02963, 1081.8368)(131.05653, 4643.3735) 3 113.0228 113.0228@1.8803325 + C36 H7 N8 O2 1.887809 [ C36 H7 N8 O2, mfg=68.40, overall=34.20 ] (584.0777, 1746.682)(585.0784, 794.6533) 10 583.0701 C36 H7 N8 O2 + C18 H7 N2 O10 1.8825133 [ C18 H7 N2 O10, mfg=91.61, overall=91.61 ] (412.0175, 22205.969)(413.01874, 5155.118)(414.01923, 1464.9977)(429.04416, 626.01)(433.99985, 828.45996) 36 411.0102 C18 H7 N2 O10 + 366.0129@1.8802633 1.8802633 (367.0198, 2156.5833)(368.0206, 760.29504) 3 366.0129 366.0129@1.8802633 + C19 H7 N9 O2 S2 1.882932 [ C19 H7 N9 O2 S2, mfg=91.68, overall=91.68 ] (458.02295, 5711.6445)(459.02454, 1488.86)(460.025, 847.86334)(480.0041, 937.96) 35 457.0156 C19 H7 N9 O2 S2 + (23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid + 1.8877333 1.8877333 (23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid [ C24 H40 O5, mfg=47.18, db=95.45, overall=71.32, METLIN ID=42697 ] (426.32098, 57279.5)(427.32397, 14972.729)(428.32764, 4176.44)(429.32938, 1567.0751)(430.3316, 373.31) 23 425.3138 (23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid + 1.8877333 + C35 H9 N O5 1.8838421 [ C35 H9 N O5, mfg=72.77, overall=72.77 ] (524.0557, 2405.9338)(525.0574, 950.0007) 22 523.0486 C35 H9 N O5 + 668.9793@1.8920432 1.8920432 (669.98663, 1793.5443)(670.98755, 920.0775)(671.9905, 520.11) 7 668.9793 668.9793@1.8920432 + 279.9511@1.8864397 1.8864397 (280.95844, 2629.9375)(281.9589, 891.51)(297.98468, 1114.467) 15 279.9511 279.9511@1.8864397 + Bufadienolide + 1.8836479 1.8836479 C16921 Bufadienolide [ C24 H34 O2, mfg=67.05, db=67.05, overall=67.05, CAS ID=29565-35-3, KEGG ID=C16921, METLIN ID=71434 ] 29565-35-3 (709.5243, 699.0)(355.26248, 8530.11)(356.26886, 2849.4885)(357.2694, 1987.79) 9 354.2554 Bufadienolide + 1.8836479 + 530.2163@1.892026 1.892026 (531.22345, 4318.976)(532.22705, 1765.5979)(533.2291, 926.95) 12 530.2163 530.2163@1.892026 + 599.4603@1.8801025 1.8801025 (600.46783, 7758.155)(601.47107, 3451.1099)(602.4732, 904.48663) 5 599.4603 599.4603@1.8801025 + C17 H N2 O5 1.883381 [ C17 H N2 O5, mfg=72.52, overall=72.52 ] (313.99512, 4445.9404)(314.9968, 1121.3347)(335.97635, 1036.4199) 28 312.9879 C17 H N2 O5 + Asn Cys Cys 1.892552 Asn Cys Cys [ C10 H18 N4 O5 S2, mfg=56.49, db=56.57, overall=56.53, METLIN ID=17894 ] (339.07718, 12706.165)(340.07977, 1645.1516) 13 338.0697 Asn Cys Cys + C8 H18 O5 1.8996054 [ C8 H18 O5, mfg=99.75, overall=99.75 ] (195.12291, 701825.25)(196.12642, 61898.887)(197.12769, 9430.0625)(198.12889, 1203.1646)(212.14941, 85928.5)(213.15274, 8526.543)(214.15091, 1944.7186)(217.10492, 27053.969)(218.10863, 3035.271)(219.1215, 670.77) 37 194.1156 C8 H18 O5 + 255.1514@1.897199 1.897199 (256.15982, 11770.757)(257.16312, 1912.7867)(258.1627, 608.77) 3 255.1514 255.1514@1.897199 + 220.1115@1.8988367 1.8988367 (221.1188, 5064.9727)(222.11765, 897.025)(203.10829, 10697.045)(204.11018, 1187.86)(205.0986, 533.72)(238.1462, 1480.61)(243.1037, 1122.27) 7 220.1115 220.1115@1.8988367 + C3 H6 N3 O6 1.8882594 [ C3 H6 N3 O6, mfg=98.37, overall=98.37 ] (181.03325, 167427.66)(182.03629, 8814.398)(183.0381, 1557.2677) 23 180.026 C3 H6 N3 O6 + L-Cladinose 1.8969164 C11917 L-Cladinose [ C8 H16 O4, mfg=78.75, db=78.75, overall=78.75, KEGG ID=C11917, METLIN ID=69247 ] (370.2407, 992.52)(177.11197, 8095.481)(178.11855, 886.7352)(179.11539, 604.73) 23 176.1047 L-Cladinose + 150.0891@1.8978899 1.8978899 (151.09625, 3610.7803)(133.08594, 12103.992)(134.0929, 1045.53)(135.0792, 487.93) 4 150.0891 150.0891@1.8978899 + 260.1047@1.9200838 1.9200838 (261.1122, 9390.327)(262.1174, 1464.37)(263.1151, 887.41003) 4 260.1047 260.1047@1.9200838 + 430.2692@1.8801879 1.8801879 (431.2765, 10132.002)(432.28036, 3884.263)(433.2834, 1476.834)(413.2658, 3469.55)(414.2634, 662.94) 11 430.2692 430.2692@1.8801879 + 61.0525@1.9037929 1.9037929 (123.1154, 704.22)(62.059765, 2391.093) 16 61.0525 61.0525@1.9037929 + Leu Tyr 1.8959446 Leu Tyr [ C15 H22 N2 O4, mfg=38.18, db=67.98, overall=53.08, METLIN ID=24011 ] (589.3207, 14766.691)(590.3237, 5992.7437)(591.3266, 2596.365) 22 588.3133 Leu Tyr + D-2-Aminobutyric acid 1.9040687 C02261 D-2-Aminobutyric acid [ C4 H9 N O2, mfg=73.11, db=73.10, overall=73.10, CAS ID=2623-91-8, Lipid ID=LMFA01100043, KEGG ID=C02261, HMP ID=HMDB00452, METLIN ID=12 ] 2623-91-8 (207.1372, 1024.015)(104.07052, 12295.819)(105.07102, 1142.46)(86.05973, 2045.6973) 30 103.0632 D-2-Aminobutyric acid HMDB00452 + LMFA01100043 296.9774@1.903624 1.903624 (297.98456, 1233.01) 2 296.9774 296.9774@1.903624 + 299.1558@1.9027947 1.9027947 (300.1636, 2737.5134)(301.162, 1430.6) 3 299.1558 299.1558@1.9027947 + 363.0651@1.9101545 1.9101545 (364.07275, 2711.57) 3 363.0651 363.0651@1.9101545 + 366.078@1.912 1.912 (367.0853, 2177.02) 1 366.078 366.078@1.912 + Phlorizin chalcone 1.9173528 C16406 Phlorizin chalcone [ C21 H22 O10, mfg=68.76, db=56.69, overall=62.72, CAS ID=4547-85-7, KEGG ID=C16406, METLIN ID=64214 ] 4547-85-7 (435.12866, 1945.7312)(436.132, 660.06)(457.11078, 2203.9014)(458.11584, 1018.3599) 8 434.1213 Phlorizin chalcone + C13 H5 O6 S2 1.9058448 [ C13 H5 O6 S2, mfg=57.15, overall=57.15 ] (321.96097, 3574.1116)(322.96243, 997.43414) 28 320.9536 C13 H5 O6 S2 + 205.0217@1.9233541 1.9233541 (206.02885, 2700.0007) 12 205.0217 205.0217@1.9233541 + 507.3403@1.9101657 1.9101657 (508.34753, 4413.225)(509.35025, 1510.2451)(510.34717, 896.37665)(525.37213, 745.56)(530.3344, 956.19) 24 507.3403 507.3403@1.9101657 + 300.1113@1.9485124 1.9485124 (301.11877, 5704.5146)(302.11435, 1792.0944)(303.11307, 896.80005)(283.11078, 740.995)(318.149, 583.12) 16 300.1113 300.1113@1.9485124 + C17 H22 N2 S2 1.9325284 [ C17 H22 N2 S2, mfg=88.52, overall=88.52 ] (659.2342, 952.64)(319.129, 8028.9233)(320.13275, 1780.499)(321.1334, 903.8611)(301.11917, 5490.9175)(302.11523, 1796.1737)(341.11194, 3358.9336)(342.11893, 1170.8511) 33 318.1217 C17 H22 N2 S2 + 2S-amino-pentanoic acid + 1.9324512 1.9324512 C01826 2S-amino-pentanoic acid [ C5 H11 N O2, mfg=98.91, db=98.91, overall=98.91, KEGG ID=C01826, METLIN ID=35949 ] (118.08601, 40882.285)(119.08929, 2874.2708)(120.087975, 772.3467)(100.07571, 93226.32)(101.0791, 5962.55)(102.08535, 1174.975)(140.0709, 3050.75) 37 117.0788 2S-amino-pentanoic acid + 1.9324512 + 657.5025@1.9323848 1.9323848 (658.5099, 7045.455)(659.51306, 2973.9692)(660.51666, 1044.09) 22 657.5025 657.5025@1.9323848 + C12 H25 N O3 1.9328578 [ C12 H25 N O3, mfg=47.59, overall=47.59 ] (232.19067, 4469.03)(233.19482, 1405.3818)(234.18811, 690.026)(214.18007, 5658.4272)(254.1697, 5425.15)(255.1702, 1816.5) 28 231.1835 C12 H25 N O3 + 141.079@1.9346032 1.9346032 (142.0863, 19918.553)(143.08574, 3286.2014)(144.08096, 3419.3762)(124.0761, 5597.73) 9 141.079 141.079@1.9346032 + 2-Methylbutyrylglycine 1.941181 2-Methylbutyrylglycine [ C7 H13 N O3, mfg=99.32, db=99.32, overall=99.32, CAS ID=52320-67-9, HMP ID=HMDB00339, METLIN ID=5328 ] 52320-67-9 (319.1871, 4022.0984)(320.19177, 1421.6747)(336.2117, 736.45)(341.16867, 2493.3384)(342.1719, 1074.5774)(343.1536, 992.7166)(160.09673, 188959.97)(161.10027, 15629.707)(162.09888, 2975.806)(142.08626, 27977.525)(143.08725, 5288.374)(144.08238, 2891.0166)(182.07916, 38554.867)(183.08295, 3984.4224)(184.09586, 766.18) 36 159.0895 2-Methylbutyrylglycine HMDB00339 + C15 H27 N O2 S 1.9386183 [ C15 H27 N O2 S, mfg=73.21, overall=73.21 ] (286.18594, 6758.3687)(287.18872, 1469.6234)(288.18185, 822.9249) 18 285.1787 C15 H27 N O2 S + 502.3073@1.9467872 1.9467872 (503.31464, 4781.1797)(504.31702, 1902.3967)(505.32693, 1536.5267)(485.30487, 1031.815)(486.305, 576.25)(525.2979, 2169.9534)(526.3004, 880.1779)(527.3092, 947.54) 10 502.3073 502.3073@1.9467872 + 524.2896@1.9482285 1.9482285 (525.2972, 6238.55)(526.30066, 2121.46)(527.3089, 2329.73) 2 524.2896 524.2896@1.9482285 + 727.5808@1.9464378 1.9464378 (728.58826, 5390.907)(729.59143, 2769.5413)(730.5869, 880.065) 7 727.5808 727.5808@1.9464378 + Quinolin-2-ol + 1.9616449 1.9616449 C06338 Quinolin-2-ol [ C9 H7 N O, mfg=83.90, db=83.89, overall=83.90, CAS ID=70254-42-1, KEGG ID=C06338, METLIN ID=66376 ] 70254-42-1 (308.1408, 640.64)(146.06026, 14371.088)(147.0625, 1828.7046) 35 145.0529 Quinolin-2-ol + 1.9616449 + C14 H32 Cl N2 O S 1.96656 [ C14 H32 Cl N2 O S, mfg=85.35, overall=85.35 ] (312.2014, 7251.679)(313.205, 1683.6838)(314.19122, 3188.2217)(315.19067, 555.72797)(316.2098, 184.47) 32 311.194 C14 H32 Cl N2 O S + S-Acetyldihydrolipoamide 1.9870639 C01136 S-Acetyldihydrolipoamide [ C10 H19 N O2 S2, mfg=35.40, db=35.28, overall=35.34, KEGG ID=C01136, HMP ID=HMDB01526, METLIN ID=6299 ] (250.09465, 6815.9507)(251.1, 1988.1544)(252.0992, 916.8333)(267.12277, 2120.945)(268.1286, 1339.37) 24 249.0868 S-Acetyldihydrolipoamide HMDB01526 + 309.1241@1.9941157 1.9941157 (310.13202, 3084.275)(311.1462, 1317.62) 2 309.1241 309.1241@1.9941157 + 500.2916@1.9959902 1.9959902 (501.29855, 3787.4666)(502.3047, 1955.9366)(483.2881, 1293.93)(523.2813, 1800.7466)(524.288, 2008.19) 6 500.2916 500.2916@1.9959902 + 699.5504@1.9957888 1.9957888 (700.5573, 8502.975)(701.56067, 4248.202)(702.5525, 1214.7134) 5 699.5504 699.5504@1.9957888 + C30 H67 N4 O10 1.9906023 [ C30 H67 N4 O10, mfg=90.69, overall=90.69 ] (644.4935, 5846.376)(645.4969, 2177.5867)(646.50085, 861.9525) 18 643.4858 C30 H67 N4 O10 + 346.2982@2.0142188 2.0142188 (347.30554, 4674.6665)(348.30908, 1270.51) 6 346.2982 346.2982@2.0142188 + 522.1002@2.031166 2.031166 (523.1069, 3488.1233)(524.1103, 1202.485) 3 522.1002 522.1002@2.031166 + C11 H25 N O6 2.0061674 [ C11 H25 N O6, mfg=85.61, overall=85.61 ] (268.1754, 34761.82)(269.17874, 5003.3745) 36 267.1681 C11 H25 N O6 + 240.0864@2.004 2.004 (241.0937, 4454.63)(242.0979, 951.83) 1 240.0864 240.0864@2.004 + 172.1213@2.0045083 2.0045083 (173.12857, 7286.8794)(174.1285, 1312.0255) 17 172.1213 172.1213@2.0045083 + C15 H29 N O3 + 2.018942 2.018942 [ C15 H29 N O3, mfg=81.99, overall=81.99 ] (272.22168, 8569.959)(273.2242, 1809.0691)(274.2282, 941.055)(294.20532, 1670.3776)(295.218, 467.5)(296.1997, 2031.36) 30 271.2144 C15 H29 N O3 + 2.018942 + Hexazinone + 2.021875 2.021875 C10926 Hexazinone [ C12 H20 N4 O2, mfg=93.68, db=93.43, overall=93.56, CAS ID=51235-04-2, KEGG ID=C10926, METLIN ID=68694 ] 51235-04-2 (253.1647, 126037.7)(254.16728, 17713.13)(255.16895, 2990.9998)(270.1913, 85766.625)(271.19443, 11779.804)(272.1951, 2335.6624)(275.14725, 2287.7495)(276.1499, 914.21106) 37 252.1574 Hexazinone + 2.021875 + 443.0551@2.02 2.02 (444.0624, 2254.4) 1 443.0551 443.0551@2.02 + C12 H25 N8 O2 2.0482762 [ C12 H25 N8 O2, mfg=95.86, overall=95.86 ] (314.21683, 36389.64)(315.22025, 5568.58)(316.22168, 1411.8896) 26 313.2097 C12 H25 N8 O2 + Ethambutol aldehyde 2.0545263 Ethambutol aldehyde [ C10 H20 N2 O2, mfg=68.97, db=68.95, overall=68.96, CAS ID=502-25-0, METLIN ID=2588 ] 502-25-0 (201.15956, 3849.0188)(202.16182, 830.19995) 23 200.1523 Ethambutol aldehyde + C22 H29 N2 O S 2.0631227 [ C22 H29 N2 O S, mfg=65.38, overall=65.38 ] (370.20755, 2758.818)(371.2093, 941.7713) 22 369.1998 C22 H29 N2 O S + N-Methyl-4-pyridone-3-carboxamide 2.0728695 C05843 N-Methyl-4-pyridone-3-carboxamide [ C7 H8 N2 O2, mfg=99.64, db=99.64, overall=99.64, CAS ID=769-49-3, KEGG ID=C05843, METLIN ID=1502 ] 769-49-3 (305.12695, 738.63)(153.06592, 227905.33)(154.06903, 18253.379)(155.07439, 1890.2136) 37 152.0587 N-Methyl-4-pyridone-3-carboxamide + C14 H30 O7 2.0832083 [ C14 H30 O7, mfg=99.05, overall=99.05 ] (311.206, 16792.15)(312.20932, 2928.9116)(313.2105, 887.2701)(328.23254, 67033.64)(329.23605, 11273.681)(330.23938, 2359.7695)(331.2414, 229.54999) 35 310.1988 C14 H30 O7 + 327.2253@2.0783155 2.0783155 (328.2326, 52477.402)(329.2361, 8844.019)(330.23984, 2257.284) 7 327.2253 327.2253@2.0783155 + C18 H34 O5 S 2.0974312 [ C18 H34 O5 S, mfg=95.33, overall=95.33 ] (363.2196, 9565.786)(364.22305, 2176.0557)(365.22043, 1079.8247)(385.20117, 2502.2334)(386.20383, 1075.2142)(387.1989, 1074.27) 20 362.2121 C18 H34 O5 S + Orsellinic acid 2.1097262 C01839 Orsellinic acid [ C8 H8 O4, mfg=47.54, db=63.35, overall=55.45, CAS ID=480-64-8, Lipid ID=LMPK13010001, KEGG ID=C01839, METLIN ID=41017 ] 480-64-8 (186.07596, 7444.317)(187.08147, 1053.6483)(188.0775, 994.135)(168.0649, 3580.95) 13 185.0687 Orsellinic acid + LMPK13010001 1245.3375@2.110996 2.110996 (1246.3457, 1792.4567)(1247.3414, 1837.5)(1248.339, 1255.88)(1249.3374, 681.28503) 3 1245.3375 1245.3375@2.110996 + 145.0735@2.1205897 2.1205897 (146.08078, 7379.233)(147.0872, 599.71497) 6 145.0735 145.0735@2.1205897 + C5 H9 Cl 2.120019 [ C5 H9 Cl, mfg=47.61, overall=47.61 ] (105.04653, 4560.509) 27 104.0393 C5 H9 Cl + C20 H28 O2 S 2.119839 [ C20 H28 O2 S, mfg=96.70, overall=48.35 ] (333.188, 8615.028)(334.19186, 1702.9639)(335.18686, 673.92755) 28 332.1806 C20 H28 O2 S + 1169.3315@2.118 2.118 (1170.3387, 1278.03)(1171.3322, 1511.02)(1172.3291, 1351.0)(1173.3251, 921.15)(1174.3228, 662.44) 1 1169.3315 1169.3315@2.118 + 8-hydroxy Guanosine 2.127978 8-hydroxy Guanosine [ C10 H13 N5 O6, mfg=47.39, db=60.42, overall=53.91, METLIN ID=44820 ] (317.12067, 3587.4714)(318.12558, 876.0776) 21 316.1132 8-hydroxy Guanosine + 1242.3531@2.127 2.127 (1243.3604, 825.66)(1244.3579, 829.03)(1245.3488, 1055.75) 1 1242.3531 1242.3531@2.127 + Urea + 2.1285865 2.1285865 C00086 Urea [ C H4 N2 O, db=99.77, overall=99.77, CAS ID=57-13-6, KEGG ID=C00086, HMP ID=HMDB00294, METLIN ID=6 ] 57-13-6 (121.07051, 110127.68)(122.07515, 5152.96)(61.039597, 296603.7)(62.04202, 5152.8267)(63.04351, 1010.00146)(78.066025, 900.6222) 37 60.0322 Urea + 2.1285865 HMDB00294 + C19 H23 N2 S 2.139699 [ C19 H23 N2 S, mfg=72.82, overall=72.82 ] (312.16562, 4232.4453)(313.1661, 1200.5433)(314.1583, 523.53) 15 311.1579 C19 H23 N2 S + C15 H10 N3 2.1458082 [ C15 H10 N3, mfg=87.47, overall=87.47 ] (233.09428, 11271.295)(234.09764, 1678.1727)(235.09802, 731.18005)(255.07617, 2688.9944)(256.0797, 807.37) 30 232.0869 C15 H10 N3 + 231.0906@2.143 2.143 (232.0979, 5656.14)(254.0804, 1067.41) 1 231.0906 231.0906@2.143 + 289.027@2.1474733 2.1474733 (290.03433, 1699.94) 4 289.027 289.027@2.1474733 + Glutathione, oxidized 2.1594422 C00127 Glutathione, oxidized [ C20 H32 N6 O12 S2, mfg=47.50, db=91.71, overall=69.60, CAS ID=27025-41-8, KEGG ID=C00127, METLIN ID=45 ] 27025-41-8 (635.1409, 8008.674)(636.14325, 2338.59)(637.14417, 1162.5) 12 634.1331 Glutathione, oxidized + 304.9967@2.1514983 2.1514983 (306.00394, 1440.9475) 4 304.9967 304.9967@2.1514983 + 230.0576@2.1542416 2.1542416 (231.06517, 5384.3555)(232.06865, 783.1867) 7 230.0576 230.0576@2.1542416 + 462.0789@2.1503658 2.1503658 (463.08582, 9597.614)(464.08862, 2154.6526)(465.08853, 1036.57) 17 462.0789 462.0789@2.1503658 + 334.0312@2.1510727 2.1510727 (335.03854, 1837.2014) 7 334.0312 334.0312@2.1510727 + 461.0815@2.16799 2.16799 (462.08942, 5260.6714) 7 461.0815 461.0815@2.16799 + 448.2601@2.1530676 2.1530676 (449.2672, 2382.87)(450.2708, 1429.2) 2 448.2601 448.2601@2.1530676 + 358.1046@2.1496568 2.1496568 (359.1122, 8979.48)(360.11658, 1568.6533) 4 358.1046 358.1046@2.1496568 + C12 H28 N5 O2 S4 2.161632 [ C12 H28 N5 O2 S4, mfg=83.78, overall=83.78 ] (403.1193, 2392.9233)(404.12186, 924.79663)(385.10855, 6050.8135)(386.11252, 1229.99)(387.1116, 1113.1) 17 402.1121 C12 H28 N5 O2 S4 + 186.0508@2.1568692 2.1568692 (187.05788, 5282.574)(188.06783, 1115.8047) 14 186.0508 186.0508@2.1568692 + 627.1851@2.1533132 2.1533132 (628.19135, 2260.2734) 3 627.1851 627.1851@2.1533132 + C27 H35 N O14 S 2.154905 [ C27 H35 N O14 S, mfg=94.14, overall=94.14 ] (630.1858, 8601.425)(631.1884, 2513.3374)(632.1878, 1336.2239)(612.1816, 752.61)(647.2059, 983.95) 12 629.1783 C27 H35 N O14 S + 508.1782@2.154225 2.154225 (509.1859, 1518.855)(526.21136, 9367.755)(527.2137, 2228.27) 2 508.1782 508.1782@2.154225 + 497.21@2.156 2.156 (498.2161, 801.5)(480.2074, 1483.04)(481.205, 739.02) 1 497.21 497.21@2.156 + 225.102@2.1579475 2.1579475 (226.10938, 18359.738)(227.11687, 2243.911)(228.11082, 1335.61) 28 225.102 225.102@2.1579475 + 6-methyltetrahydropterin 2.1584811 6-methyltetrahydropterin [ C7 H11 N5 O, mfg=64.64, db=64.60, overall=64.62, CAS ID=942-41-6, HMP ID=HMDB02249, METLIN ID=6572 ] 942-41-6 (380.2225, 1226.55)(385.1793, 1027.03)(182.10233, 16344.061)(183.10365, 1972.41)(184.09955, 1097.891)(164.0919, 2157.8901) 27 181.0951 6-methyltetrahydropterin HMDB02249 + 384.101@2.1542182 2.1542182 (385.10834, 8220.027)(386.11246, 1410.0869)(387.1163, 597.27) 10 384.101 384.101@2.1542182 + 224.1053@2.1575422 2.1575422 (225.11285, 8425.236)(207.1027, 3541.0) 6 224.1053 224.1053@2.1575422 + 440.0968@2.1572428 2.1572428 (441.10428, 1374.2638)(458.13046, 33293.617)(459.13287, 7458.5884)(460.1329, 2674.5)(463.08594, 13182.27)(464.08884, 3016.9448)(465.08832, 1104.4) 8 440.0968 440.0968@2.1572428 + 469.1772@2.157 2.157 (470.1839, 1036.43)(452.1741, 2850.0)(453.1789, 825.23) 1 469.1772 469.1772@2.157 + Diazepam 2.1594338 C06948 Diazepam [ C16 H13 Cl N2 O, mfg=45.42, db=45.41, overall=45.41, CAS ID=439-14-5, KEGG ID=C06948, METLIN ID=3521 ] 439-14-5 (285.0797, 6934.1553) 20 284.0725 Diazepam + 353.149@2.1588674 2.1588674 (354.15643, 46635.367)(355.15967, 7344.3438)(356.1611, 2042.7899)(357.1519, 778.27) 20 353.149 353.149@2.1588674 + Faropenem 2.1597743 C13310 Faropenem [ C12 H15 N O5 S, mfg=87.87, db=87.83, overall=87.85, CAS ID=122547-49-3, KEGG ID=C13310, METLIN ID=69558 ] 122547-49-3 (286.07596, 23579.79)(287.0785, 3317.1692)(288.0774, 1605.8757) 32 285.0688 Faropenem + C13 H21 N11 O7 S 2.1581762 [ C13 H21 N11 O7 S, mfg=94.96, overall=94.96 ] (476.14105, 3235.41)(477.14597, 985.9713)(458.1305, 19934.057)(459.13297, 4374.6914)(460.13174, 1864.0898) 23 475.1338 C13 H21 N11 O7 S + 370.1631@2.1603625 2.1603625 (371.16916, 2370.6028)(353.15964, 11284.1045) 7 370.1631 370.1631@2.1603625 + Convoline 2.1635633 C10855 Convoline [ C16 H21 N O5, mfg=71.96, db=71.94, overall=71.95, CAS ID=89783-61-9, KEGG ID=C10855, METLIN ID=68633 ] 89783-61-9 (308.15125, 9124.971)(309.15305, 1816.6128)(310.15286, 922.65857) 34 307.1439 Convoline + C12 H25 N S3 2.1609378 [ C12 H25 N S3, mfg=77.48, overall=77.48 ] (280.1201, 12030.462)(281.12628, 1973.2997)(282.129, 1360.1729) 34 279.1127 C12 H25 N S3 + 17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate 2.1612184 C14955 17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate [ C22 H28 O3 S, mfg=35.38, db=64.11, overall=49.74, KEGG ID=C14955, METLIN ID=70454 ] (395.16284, 4977.39)(396.1673, 1854.5676)(397.16696, 4542.1616)(377.1572, 765.63) 16 394.1549 17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate + 276.1207@2.1662998 2.1662998 (277.1279, 3855.1353)(278.13647, 1734.155)(279.12354, 9230.436) 2 276.1207 276.1207@2.1662998 + 336.1241@2.158981 2.158981 (695.2356, 2404.13)(696.2387, 1024.32)(337.13165, 6626.2734)(338.14145, 1509.0929)(339.13895, 907.52)(319.1216, 1288.63)(359.11163, 3696.635) 10 336.1241 336.1241@2.158981 + 647.1876@2.160463 2.160463 (648.1973, 1248.1366)(649.2075, 734.67)(630.1844, 5581.25)(631.1874, 1682.44) 3 647.1876 647.1876@2.160463 + C12 H27 N4 O7 S 2.164487 [ C12 H27 N4 O7 S, mfg=91.46, overall=91.46 ] (372.16696, 6572.2305)(373.17105, 1665.0306)(374.17313, 899.19006)(354.1565, 41546.883)(355.15976, 7785.932)(356.161, 2753.7112)(357.1548, 1209.34)(389.19452, 1194.5449) 32 371.1598 C12 H27 N4 O7 S + C26 H32 N21 O 2.1907732 [ C26 H32 N21 O, mfg=75.08, overall=75.08 ] (655.3166, 3413.1384)(656.3192, 1376.3488)(672.34235, 1166.2866)(673.3463, 541.48) 16 654.3093 C26 H32 N21 O + C23 H31 Cl3 N O3 2.159898 [ C23 H31 Cl3 N O3, mfg=47.62, overall=47.62 ] (475.14423, 1907.7925)(457.13348, 13103.19) 8 474.1364 C23 H31 Cl3 N O3 + 415.1667@2.1616833 2.1616833 (416.17484, 1380.33)(417.1849, 776.58)(398.16345, 11712.215)(399.1676, 2061.0999)(400.1799, 881.92) 6 415.1667 415.1667@2.1616833 + 361.1227@2.1601121 2.1601121 (362.1313, 1303.3656)(379.15634, 23609.436)(384.11163, 5198.37) 7 361.1227 361.1227@2.1601121 + Bergenin 2.1622493 C09919 Bergenin [ C14 H16 O9, mfg=47.38, db=47.31, overall=47.34, CAS ID=477-90-7, KEGG ID=C09919, METLIN ID=43945 ] 477-90-7 (674.1928, 1386.5165)(675.1979, 880.63)(679.1485, 900.22003)(329.0864, 4057.944) 24 328.0796 Bergenin + 500.1335@2.16041 2.16041 (501.1403, 3469.752) 5 500.1335 500.1335@2.16041 + C28 H25 N2 O3 S2 2.1622257 [ C28 H25 N2 O3 S2, mfg=92.36, overall=92.36 ] (502.13788, 4270.2144)(503.14008, 1253.3923)(504.1393, 748.67) 16 501.1306 C28 H25 N2 O3 S2 + C14 H19 N O4 S2 2.162506 [ C14 H19 N O4 S2, mfg=95.47, overall=95.47 ] (330.08307, 7463.7456)(331.086, 1304.6138)(332.08322, 852.13666) 36 329.0755 C14 H19 N O4 S2 + 362.1193@2.1610558 2.1610558 (742.2733, 1418.72)(363.1279, 1903.3312)(364.13354, 638.4)(365.138, 524.05)(380.15298, 31558.08)(381.1562, 5223.3984)(382.1577, 1468.7799)(385.10843, 7525.0747)(386.1123, 1483.8329)(387.121, 652.5) 17 362.1193 362.1193@2.1610558 + 377.1533@2.16249 2.16249 (378.15936, 2932.6887) 9 377.1533 377.1533@2.16249 + 771.6068@2.1638799 2.1638799 (772.61414, 7539.3516)(773.6174, 3479.077)(774.61505, 1324.5651)(775.6035, 368.92) 7 771.6068 771.6068@2.1638799 + Chlorambucil 2.1672678 C06900 Chlorambucil [ C14 H19 Cl2 N O2, mfg=40.83, db=67.87, overall=54.35, CAS ID=305-03-3, KEGG ID=C06900, METLIN ID=542 ] 305-03-3 (304.0867, 2737.2424)(305.09467, 852.3712)(286.07593, 37883.004)(287.07846, 4868.263)(288.07703, 2194.8267)(321.1146, 615.72) 22 303.0792 Chlorambucil + 441.1638@2.165169 2.165169 (442.17126, 2503.1533)(443.1718, 827.73)(424.1605, 7172.0156)(425.1647, 1489.2738)(426.1703, 928.41003) 12 441.1638 441.1638@2.165169 + 5?-Deoxy-5?-(methylthio)adenosine 2.1648464 C00170 5?-Deoxy-5?-(methylthio)adenosine [ C11 H15 N5 O3 S, mfg=46.92, db=46.83, overall=46.88, CAS ID=2457-80-9, KEGG ID=C00170, HMP ID=HMDB01173, METLIN ID=3425 ] 2457-80-9 (298.09692, 4632.39)(299.1043, 1421.85)(315.1203, 570.4) 19 297.0894 5?-Deoxy-5?-(methylthio)adenosine HMDB01173 + Muramic acid 2.1637948 C06470 Muramic acid [ C9 H17 N O7, mfg=68.48, db=68.46, overall=68.47, CAS ID=1114-41-6, KEGG ID=C06470, HMP ID=HMDB03254, METLIN ID=3381 ] 1114-41-6 (252.10626, 7932.5874)(253.11346, 1333.6862)(254.1107, 840.91) 22 251.0985 Muramic acid HMDB03254 + 423.1527@2.164132 2.164132 (424.16037, 4212.766)(425.16626, 1089.108) 12 423.1527 423.1527@2.164132 + 440.1663@2.1641538 2.1641538 (441.17392, 2139.4333)(423.16318, 5466.9683) 6 440.1663 440.1663@2.1641538 + 323.1204@2.168748 2.168748 (324.12845, 3050.18)(325.13318, 1056.0349) 4 323.1204 323.1204@2.168748 + 169.9625@2.1758614 2.1758614 (170.96976, 2373.3572) 7 169.9625 169.9625@2.1758614 + 140.0331@2.1696727 2.1696727 (298.09665, 3596.855)(141.04016, 4415.97)(142.0468, 1046.26)(143.0324, 4913.1) 3 140.0331 140.0331@2.1696727 + 269.1092@2.1706262 2.1706262 (270.1167, 3298.7659)(271.11954, 957.5325)(272.1139, 731.33496)(252.10655, 6817.5034)(253.1067, 1185.205) 25 269.1092 269.1092@2.1706262 + 369.1994@2.191 2.191 (370.2067, 1334.97) 1 369.1994 369.1994@2.191 + 687.5128@2.2006452 2.2006452 (688.51996, 5086.061)(689.52374, 2102.8901)(690.5254, 774.4029) 18 687.5128 687.5128@2.2006452 + 172.0846@2.2207508 2.2207508 (173.09207, 9303.276)(174.0966, 1245.825)(155.0815, 1384.53) 5 172.0846 172.0846@2.2207508 + Metaldehyde 2.288355 C18744 Metaldehyde [ C8 H16 O4, db=74.54, overall=74.54, CAS ID=108-62-3, KEGG ID=C18744, METLIN ID=72518 ] 108-62-3 (177.11188, 9652.298)(178.11842, 1356.9302)(179.11716, 875.6482)(89.059555, 5790.2827)(90.06215, 776.10754) 31 88.0523 Metaldehyde + 369.1795@2.286978 2.286978 (370.18668, 3688.7505)(371.19113, 840.11365)(352.17624, 1940.0708)(353.18256, 1060.72) 19 369.1795 369.1795@2.286978 + C10 H22 N3 O3 S 2.286803 [ C10 H22 N3 O3 S, mfg=91.94, overall=91.94 ] (265.14545, 3977.8457)(266.147, 1005.07404)(267.1538, 654.42)(247.13487, 28109.762)(248.13852, 3515.3044)(249.1408, 898.99097)(282.1718, 13188.211)(283.17395, 2704.6023)(284.17435, 1209.5333)(287.1271, 1769.9508)(288.1337, 761.6) 34 264.1381 C10 H22 N3 O3 S + 132.0785@2.288095 2.288095 (133.08577, 11601.608)(134.09074, 1194.69)(155.068, 1257.04) 24 132.0785 132.0785@2.288095 + C13 H31 Cl N4 O2 S 2.286889 [ C13 H31 Cl N4 O2 S, mfg=47.52, overall=47.52 ] (343.19272, 15250.62)(325.18277, 4118.267) 36 342.1856 C13 H31 Cl N4 O2 S + C9 H26 N6 O3 S 2.2874725 [ C9 H26 N6 O3 S, mfg=47.62, overall=47.62 ] (299.1859, 37753.64)(281.1754, 3247.9893) 36 298.1787 C9 H26 N6 O3 S + Angustibalin 2.2864175 C09293 Angustibalin [ C17 H20 O5, mfg=79.72, db=79.76, overall=79.74, CAS ID=10180-86-6, KEGG ID=C09293, METLIN ID=67579 ] 10180-86-6 (305.1382, 5508.94)(306.1438, 896.228)(287.12756, 1512.335) 32 304.131 Angustibalin + C11 H27 N4 O8 2.286889 [ C11 H27 N4 O8, mfg=97.35, overall=97.35 ] (344.18958, 30469.773)(345.1932, 3835.2817)(346.19473, 1095.7557)(326.17914, 9241.308)(327.18634, 1520.5562) 36 343.1824 C11 H27 N4 O8 + C10 H27 N4 O4 S 2.2873888 [ C10 H27 N4 O4 S, mfg=92.38, overall=92.38 ] (300.18265, 143595.9)(301.18616, 18264.324)(302.1879, 3647.7388)(303.1872, 476.75494)(282.17194, 8810.1)(283.1739, 2297.145) 36 299.1753 C10 H27 N4 O4 S + Pirimicarb 2.2883043 C11079 Pirimicarb [ C11 H18 N4 O2, mfg=92.13, db=90.51, overall=91.32, CAS ID=23103-98-2, KEGG ID=C11079, METLIN ID=68822 ] 23103-98-2 (239.1489, 1755070.5)(240.15262, 199601.44)(241.15427, 30527.982)(242.15894, 2873.814)(243.16269, 775.28253)(256.1754, 1099645.8)(257.17877, 122884.414)(258.1807, 19610.38)(259.18396, 1940.1437)(261.13092, 55127.008)(262.13406, 6439.041)(263.1357, 1367.7396) 36 238.1415 Pirimicarb + C6 H12 N3 S 2.2876015 [ C6 H12 N3 S, mfg=86.65, overall=86.65 ] (159.08243, 9041.083)(160.08548, 1073.518)(161.07254, 566.71) 32 158.075 C6 H12 N3 S + 2-Fluoroaniline 2.2883675 C11010 2-Fluoroaniline [ C6 H6 F N, db=70.15, overall=70.15, CAS ID=348-54-9, KEGG ID=C11010, METLIN ID=68769 ] 348-54-9 (112.056145, 13268.559)(113.061066, 1325.8528)(114.0617, 1409.01) 34 111.0489 2-Fluoroaniline + 246.1891@2.288 2.288 (247.1964, 1381.68) 1 246.1891 246.1891@2.288 + C25 H19 N3 O 2.2889917 [ C25 H19 N3 O, mfg=80.98, overall=80.98 ] (378.1599, 2529.2327)(379.16278, 793.00757)(395.1864, 1274.7972) 23 377.1528 C25 H19 N3 O + 288.0775@2.2789478 2.2789478 (289.08978, 1897.5149)(271.0738, 3164.92) 2 288.0775 288.0775@2.2789478 + 245.1311@2.2885628 2.2885628 (246.13834, 7716.6733) 23 245.1311 245.1311@2.2885628 + 3-Imidazole-2-oxopropanoate 2.2981129 C03762 3-Imidazole-2-oxopropanoate [ C6 H6 N2 O3, mfg=61.89, db=61.87, overall=61.88, KEGG ID=C03762, METLIN ID=66039 ] (155.04529, 8646.489)(156.05396, 1229.5441)(157.05125, 920.28503) 23 154.0379 3-Imidazole-2-oxopropanoate + C8 H6 N2 O3 2.2978013 [ C8 H6 N2 O3, mfg=72.43, overall=72.43 ] (179.04492, 5662.3506)(180.0488, 974.5679) 25 178.0377 C8 H6 N2 O3 + Uridine 2.2960243 C00299 Uridine [ C9 H12 N2 O6, mfg=99.77, db=99.77, overall=99.77, CAS ID=58-96-8, KEGG ID=C00299, HMP ID=HMDB00296, METLIN ID=90 ] 58-96-8 (245.07697, 100807.234)(246.08, 10989.492)(247.08293, 2058.6226)(262.10364, 1514.5021)(267.05872, 995.51666) 37 244.0696 Uridine HMDB00296 + N4-Acetylcytidine 2.301084 N4-Acetylcytidine [ C11 H15 N3 O6, db=57.12, overall=28.56, CAS ID=3768-18-1, HMP ID=HMDB05923, METLIN ID=58335 ] 3768-18-1 (286.10333, 7375.556)(287.11343, 2094.0583)(288.1075, 2137.642) 33 285.0959 N4-Acetylcytidine HMDB05923 + Lupanyl Acid 2.3022113 Lupanyl Acid [ C14 H24 N2 O2, mfg=47.05, db=70.03, overall=58.54, CAS ID=, METLIN ID=44429 ] (270.21722, 7398.7334)(271.2221, 1498.7687)(272.2244, 1166.58) 14 269.2096 Lupanyl Acid + C3 H8 O2 S 2.3504615 [ C3 H8 O2 S, mfg=61.51, overall=61.51 ] (109.031685, 5110.017)(110.0351, 822.66) 23 108.0245 C3 H8 O2 S + C13 H28 O7 2.3892999 [ C13 H28 O7, mfg=99.62, overall=99.62 ] (297.19046, 15686.143)(298.19366, 2703.6167)(299.19266, 1013.37)(314.21704, 61718.19)(315.2206, 9298.62)(316.2225, 1751.4202)(319.17288, 1524.2946) 35 296.1833 C13 H28 O7 + Dipropyl disulfide 2.4042609 C08373 Dipropyl disulfide [ C6 H14 S2, db=34.41, overall=34.41, CAS ID=629-19-6, KEGG ID=C08373, METLIN ID=66930 ] 629-19-6 (151.06133, 7726.772)(152.0704, 2230.18) 11 150.0539 Dipropyl disulfide + C19 H35 N O3 S 2.4165688 [ C19 H35 N O3 S, mfg=94.70, overall=94.70 ] (358.24222, 8804.225)(359.2447, 1982.5134)(360.24313, 727.432) 24 357.2351 C19 H35 N O3 S + 139.9963@2.4252782 2.4252782 (141.00342, 11823.301)(142.00482, 823.35803)(142.99983, 1583.39)(122.9927, 880.41)(158.03035, 1075.1599) 6 139.9963 139.9963@2.4252782 + C14 H35 N4 O7 2.4408271 [ C14 H35 N4 O7, mfg=93.23, overall=93.23 ] (372.2586, 13444.856)(373.26215, 2607.9712)(374.26282, 881.60834) 25 371.2512 C14 H35 N4 O7 + 255.194@2.452 2.452 (256.2013, 6727.32)(257.2071, 937.04) 1 255.194 255.194@2.452 + 244.9749@2.4866467 2.4866467 (245.98235, 6315.135)(246.9839, 1176.665)(247.9865, 758.01) 2 244.9749 244.9749@2.4866467 + 212.189@2.454 2.454 (213.1963, 3200.83) 1 212.189 212.189@2.454 + 136.0386@2.4617891 2.4617891 (137.04584, 5905.5884)(138.055, 1313.21) 9 136.0386 136.0386@2.4617891 + 139.9963@2.475423 2.475423 (141.00342, 11423.053)(142.00612, 987.7783)(142.9995, 2287.96) 19 139.9963 139.9963@2.475423 + 309.1224@2.4901912 2.4901912 (310.13016, 5801.9497)(311.1359, 1228.97) 2 309.1224 309.1224@2.4901912 + Pantothenic Acid 2.520448 C00864 Pantothenic Acid [ C9 H17 N O5, mfg=99.46, db=99.46, overall=99.46, CAS ID=137-08-6, KEGG ID=C00864, METLIN ID=241 ] 137-08-6 (220.11809, 84805.945)(221.1211, 9257.829)(222.1236, 1732.5591)(223.1255, 799.7)(242.0974, 1005.64) 35 219.1108 Pantothenic Acid + 317.1283@2.5220628 2.5220628 (318.13565, 25672.346)(319.13895, 3770.4453)(320.14166, 1028.584) 23 317.1283 317.1283@2.5220628 + 461.2982@2.4915957 2.4915957 (462.30524, 1977.1226)(463.30984, 755.325) 4 461.2982 461.2982@2.4915957 + 245.1071@2.5156426 2.5156426 (246.11461, 5380.062)(247.11897, 1023.78784)(248.1199, 572.49)(228.1017, 684.21) 11 245.1071 245.1071@2.5156426 + 323.0843@2.513 2.513 (324.0916, 1345.17) 1 323.0843 323.0843@2.513 + MG(0:0/24:1(15Z)/0:0) 2.5377781 MG(0:0/24:1(15Z)/0:0) [ C27 H52 O4, mfg=46.50, db=77.19, overall=61.84, HMP ID=HMDB11559, METLIN ID=62342 ] (458.41968, 3052.2544)(459.42334, 1029.0338) 23 457.4123 MG(0:0/24:1(15Z)/0:0) HMDB11559 + 503.3118@2.5357451 2.5357451 (504.31924, 12633.807)(505.32196, 3724.2573)(506.32248, 1508.1011)(507.3229, 284.79) 15 503.3118 503.3118@2.5357451 + 4-Acetamido-2-amino-6-nitrotoluene 2.5628643 C16420 4-Acetamido-2-amino-6-nitrotoluene [ C9 H11 N3 O3, mfg=76.82, db=76.81, overall=76.81, KEGG ID=C16420, METLIN ID=71196 ] (210.08728, 9535.704)(211.09297, 1378.6458)(212.0926, 838.42) 19 209.08 4-Acetamido-2-amino-6-nitrotoluene + 140.9914@2.5398774 2.5398774 (141.99883, 3726.6968)(142.9979, 645.05)(143.9956, 864.73)(123.98831, 1222.8983) 15 140.9914 140.9914@2.5398774 + C7 H5 N O2 2.5640748 [ C7 H5 N O2, mfg=99.90, overall=99.90 ] (136.03915, 18219.404)(137.04286, 1969.6204)(153.0658, 224650.19)(154.06859, 18101.682)(155.07199, 1855.1139) 29 135.032 C7 H5 N O2 + 4-Hydroxyaminoquinoline N-oxide 2.564377 C04050 4-Hydroxyaminoquinoline N-oxide [ C9 H8 N2 O2, mfg=80.99, db=80.98, overall=80.99, CAS ID=4637-56-3, KEGG ID=C04050, METLIN ID=66103 ] 4637-56-3 (177.06578, 11529.176)(178.07077, 1400.7454) 35 176.0585 4-Hydroxyaminoquinoline N-oxide + 279.1126@2.5692499 2.5692499 (280.11996, 6862.757)(281.12463, 1007.993)(282.12747, 702.5967) 20 279.1126 279.1126@2.5692499 + L-Glutamate 5-semialdehyde 2.5747325 C01165 L-Glutamate 5-semialdehyde [ C5 H9 N O3, mfg=68.15, db=68.14, overall=68.14, CAS ID=, KEGG ID=C01165, METLIN ID=63469 ] (132.0652, 9182.8955)(133.07486, 1061.4437)(114.055466, 7243.3716)(115.0607, 1056.56)(154.0491, 4724.08) 31 131.0579 L-Glutamate 5-semialdehyde + 164.0687@2.573 2.573 (165.0767, 2101.31)(182.1024, 12201.0) 1 164.0687 164.0687@2.573 + 365.1301@2.58091 2.58091 (366.1374, 5231.203)(367.14124, 1017.3862) 13 365.1301 365.1301@2.58091 + 250.0862@2.5854726 2.5854726 (251.0933, 2019.5781)(268.1199, 10837.886)(269.12357, 1533.2334)(270.1264, 530.27) 5 250.0862 250.0862@2.5854726 + 150.0542@2.5846255 2.5846255 (151.06137, 4963.99)(152.0714, 1279.9) 4 150.0542 150.0542@2.5846255 + 282.0963@2.5846524 2.5846524 (283.10382, 4701.775)(284.10825, 1093.5349) 2 282.0963 282.0963@2.5846524 + C13 H23 N8 O4 2.6424568 [ C13 H23 N8 O4, mfg=82.14, overall=82.14 ] (356.19122, 5759.4263)(357.19464, 1185.9069) 36 355.1839 C13 H23 N8 O4 + D-Asparagine 2.6352746 C01905 D-Asparagine [ C4 H8 N2 O3, mfg=93.09, db=93.09, overall=93.09, CAS ID=2058-58-4, KEGG ID=C01905, METLIN ID=65674 ] 2058-58-4 (133.06064, 24648.97)(134.06476, 1768.984)(135.06615, 863.8333)(115.0497, 2093.81) 31 132.0532 D-Asparagine + 277.0981@2.6674764 2.6674764 (278.10504, 2306.395)(279.1069, 671.29004) 4 277.0981 277.0981@2.6674764 + C9 H19 N4 O5 S 2.6819115 [ C9 H19 N4 O5 S, mfg=92.32, overall=46.16 ] (296.11493, 152823.44)(297.11832, 18781.592)(298.12024, 4140.545)(299.12216, 267.92203) 32 295.1076 C9 H19 N4 O5 S + Tutin + 2.6770117 2.6770117 C09570 Tutin [ C15 H18 O6, mfg=46.41, db=46.41, overall=46.41, CAS ID=2571-22-4, KEGG ID=C09570, METLIN ID=67812 ] 2571-22-4 (295.1182, 39755.805) 22 294.111 Tutin + 2.6770117 + 151.0743@2.6867123 2.6867123 (152.08151, 8555.725)(153.0866, 1126.65) 2 151.0743 151.0743@2.6867123 + 416.1236@2.7272131 2.7272131 (417.13083, 5369.295)(418.13416, 1766.1738)(419.137, 1281.03) 18 416.1236 416.1236@2.7272131 + Glutamine 2.7383006 C00064 Glutamine [ C5 H10 N2 O3, mfg=83.33, db=83.32, overall=83.33, CAS ID=56-85-9, KEGG ID=C00064, HMP ID=HMDB00641, METLIN ID=18 ] 56-85-9 (293.1411, 693.81)(310.1759, 601.85)(147.07661, 11505.864)(148.07881, 1110.335)(129.06558, 8972.112)(130.06737, 1059.34) 19 146.0691 Glutamine HMDB00641 + 4-Nitroaniline + 2.7460015 2.7460015 C02126 4-Nitroaniline [ C6 H6 N2 O2, mfg=99.75, db=99.75, overall=99.75, CAS ID=100-01-6, KEGG ID=C02126, METLIN ID=65716 ] 100-01-6 (139.05017, 682919.06)(140.0533, 47095.78)(141.05592, 4730.0244)(142.05486, 341.88428) 36 138.0429 4-Nitroaniline + 2.7460015 + 173.1051@2.7494953 2.7494953 (174.11241, 11334.389)(175.11679, 1415.6179)(176.1149, 865.08)(156.1021, 1880.07) 13 173.1051 173.1051@2.7494953 + Dihomomethionine 2.763817 C17217 Dihomomethionine [ C7 H15 N O2 S, mfg=72.66, db=72.60, overall=72.63, CAS ID=, KEGG ID=C17217, METLIN ID=64496 ] (178.08939, 11605.623)(179.09279, 1618.294)(160.07747, 918.8567) 26 177.0821 Dihomomethionine + ?-D-Glucose 2.7738783 C00267 ?-D-Glucose [ C6 H12 O6, mfg=47.62, db=99.91, overall=73.76, CAS ID=492-62-6, KEGG ID=C00267, HMP ID=HMDB03345, METLIN ID=133 ] 492-62-6 (198.09724, 1196855.1)(199.10065, 85450.26)(200.10191, 17315.215)(201.1047, 1267.0225)(180.08664, 206627.98)(181.08998, 15928.467)(182.09096, 3320.352) 24 197.09 ?-D-Glucose HMDB03345 + 179.0795@2.830935 2.830935 (180.08673, 282394.4)(181.08997, 20983.7)(182.0909, 4049.6992) 17 179.0795 179.0795@2.830935 + C12 H26 O7 2.791988 [ C12 H26 O7, mfg=99.93, overall=99.93 ] (283.1752, 318915.53)(284.17853, 41747.555)(285.1805, 7186.617)(286.1836, 849.3485)(300.20178, 955132.3)(301.20505, 136678.77)(302.20703, 23043.334)(303.20984, 2605.0913)(304.2104, 1076.6466)(305.1576, 7958.512)(306.16153, 1445.8763)(307.158, 796.71375) 36 282.168 C12 H26 O7 + 304.15@2.7894192 2.7894192 (305.15723, 6662.64)(306.1615, 1244.83) 2 304.15 304.15@2.7894192 + Hypoxanthine 2.8386796 C00262 Hypoxanthine [ C5 H4 N4 O, mfg=97.41, db=90.86, overall=94.13, CAS ID=68-94-0, KEGG ID=C00262, HMP ID=HMDB00157, METLIN ID=83 ] 68-94-0 (273.08408, 99307.32)(274.0871, 14641.71)(275.08987, 2820.934)(276.0926, 855.58)(295.06628, 11666.465)(296.07037, 2502.642)(297.06287, 1018.21497)(137.04576, 757440.8)(138.04987, 65151.6)(139.0497, 24503.586)(159.02744, 53929.39)(160.03061, 4085.7036) 33 136.0385 Hypoxanthine HMDB00157 + C17 H29 N S3 2.7982416 [ C17 H29 N S3, mfg=87.66, overall=87.66 ] (344.15247, 7847.1035)(345.1565, 1668.9536)(346.15588, 1200.0734) 16 343.1452 C17 H29 N S3 + 162.053@2.8780918 2.8780918 (325.1154, 842.0)(163.06033, 35304.438)(164.06578, 2289.2664)(165.06488, 824.21106)(145.0495, 57822.4)(146.0529, 4111.83)(180.08676, 263503.44)(181.09018, 18964.408)(182.0908, 3490.69)(183.1013, 385.26) 17 162.053 162.053@2.8780918 + 197.0899@2.8559191 2.8559191 (198.09721, 1674004.4)(199.10077, 115062.22)(200.102, 23844.611)(201.1063, 1792.71) 3 197.0899 197.0899@2.8559191 + 654.3091@2.7945857 2.7945857 (655.3168, 5413.7563)(656.31946, 2025.3463)(657.32184, 812.5183)(672.34216, 1272.0315)(673.3462, 786.02997)(677.29675, 1098.1934) 28 654.3091 654.3091@2.7945857 + 357.2362@2.8809617 2.8809617 (358.2433, 12018.597)(359.24564, 2639.2363)(360.24637, 953.0537)(340.2335, 990.055) 31 357.2362 357.2362@2.8809617 + 411.1355@2.8255856 2.8255856 (412.1432, 3137.84)(413.1521, 869.2033) 6 411.1355 411.1355@2.8255856 + 428.1582@2.8659568 2.8659568 (429.16025, 2479.8242)(430.1676, 1397.92)(411.14648, 2663.04) 5 428.1582 428.1582@2.8659568 + 314.0825@2.8615065 2.8615065 (315.08954, 2149.0625)(316.091, 799.24) 4 314.0825 314.0825@2.8615065 + 573.1893@2.8223796 2.8223796 (574.19617, 3010.9858)(575.1998, 899.3089)(576.2014, 538.9) 10 573.1893 573.1893@2.8223796 + 246.0999@2.891 2.891 (247.1071, 4065.0)(248.1127, 896.77) 1 246.0999 246.0999@2.891 + 429.1467@2.8519924 2.8519924 (430.1544, 2142.2961)(431.15717, 777.525)(412.14316, 3065.4448)(413.1457, 815.65) 5 429.1467 429.1467@2.8519924 + 758.2085@2.866534 2.866534 (759.21576, 15035.479)(760.21924, 4659.3813)(761.221, 1343.8666)(762.2368, 313.75)(781.1984, 716.11) 14 758.2085 758.2085@2.866534 + C12 H25 N4 O8 S 2.8688638 [ C12 H25 N4 O8 S, mfg=94.11, overall=94.11 ] (386.14642, 96101.09)(387.14978, 14961.677)(388.15106, 3855.59)(389.1554, 349.43332) 26 385.1391 C12 H25 N4 O8 S + 68.0261@2.8951316 2.8951316 (69.033516, 3303.4285) 7 68.0261 68.0261@2.8951316 + 84.0211@2.900689 2.900689 (85.02837, 21825.133)(86.031815, 1823.9374) 16 84.0211 84.0211@2.900689 + Methylitaconate 2.9065425 C02295 Methylitaconate [ C6 H8 O4, mfg=99.15, db=99.15, overall=99.15, CAS ID=, KEGG ID=C02295, METLIN ID=63875 ] (145.04941, 55278.797)(146.05328, 4358.6934)(147.05461, 689.55994)(127.03878, 37162.094)(128.042, 2665.7998)(129.0394, 907.99)(162.07614, 11300.236) 26 144.0422 Methylitaconate + C6 H15 N O6 + 2.9257476 2.9257476 [ C6 H15 N O6, mfg=99.92, overall=99.92 ] (198.09724, 1473995.9)(199.10066, 103838.79)(200.10188, 21874.797)(201.1052, 1517.1377)(180.0867, 380710.34)(181.08998, 28477.73)(182.09122, 4983.0386)(183.09955, 492.495)(220.0813, 1859.985) 25 197.09 C6 H15 N O6 + 2.9257476 + 753.2529@2.9248075 2.9248075 (754.26, 2245.115)(755.2635, 914.34) 2 753.2529 753.2529@2.9248075 + 565.2026@2.940675 2.940675 (566.2101, 3254.769)(567.21277, 872.10065)(568.2157, 906.58) 18 565.2026 565.2026@2.940675 + 403.1498@2.9276724 2.9276724 (404.15704, 18031.582)(405.16083, 2902.1895)(406.16165, 994.0355)(386.14636, 75835.47)(387.1498, 12467.215)(388.1516, 2851.98) 19 403.1498 403.1498@2.9276724 + 402.1532@2.9238515 2.9238515 (403.1602, 7305.727) 7 402.1532 402.1532@2.9238515 + 382.1084@2.918846 2.918846 (383.11566, 110017.39)(384.1193, 14773.002)(385.12006, 4385.334) 19 382.1084 382.1084@2.918846 + C19 H13 N4 O3 S2 2.9056842 [ C19 H13 N4 O3 S2, mfg=92.92, overall=92.92 ] (410.0507, 19076.012)(411.0527, 4426.129)(412.05124, 1934.1274)(413.0344, 1152.21)(432.03265, 3061.608)(433.03442, 1027.3501) 25 409.0434 C19 H13 N4 O3 S2 + 776.2208@2.939514 2.939514 (1575.4265, 656.52)(777.2272, 1827.2971)(778.2318, 878.91)(779.2398, 1318.73)(759.2176, 9568.96)(760.2192, 4772.22)(761.2199, 1277.22) 7 776.2208 776.2208@2.939514 + 218.0195@2.9142237 2.9142237 (219.02686, 3494.8862)(220.02625, 785.96497) 8 218.0195 218.0195@2.9142237 + C25 H30 O15 2.901547 [ C25 H30 O15, mfg=75.27, overall=75.27 ] (571.1656, 4514.4556)(572.17017, 1033.0254) 15 570.1581 C25 H30 O15 + 316.0123@2.8888254 2.8888254 (317.01965, 2458.6672)(318.02136, 779.992) 8 316.0123 316.0123@2.8888254 + 202.0456@2.9260998 2.9260998 (203.05293, 236907.08)(204.05641, 17419.092)(205.05814, 3987.5732)(206.05865, 80.005005)(220.08, 609.59) 19 202.0456 202.0456@2.9260998 + 140.0288@2.9205427 2.9205427 (141.03595, 4514.385) 2 140.0288 140.0288@2.9205427 + C17 H7 N S2 2.8964288 [ C17 H7 N S2, mfg=92.60, overall=92.60 ] (290.00854, 6092.1494)(291.01062, 1327.2723)(292.0086, 674.09)(311.99, 998.49) 17 289.0012 C17 H7 N S2 + Kukoamine B 2.96017 C17616 Kukoamine B [ C28 H42 N4 O6, mfg=44.41, db=84.79, overall=64.60, KEGG ID=C17616, METLIN ID=71819 ] (548.3456, 13088.078)(549.3487, 4164.966)(550.34894, 1827.1224) 19 547.3384 Kukoamine B + 242.1011@2.9459465 2.9459465 (243.10857, 4969.02)(244.11003, 1610.0233) 3 242.1011 242.1011@2.9459465 + 572.1915@2.963 2.963 (573.1988, 2006.78) 1 572.1915 572.1915@2.963 + 274.986@2.9398239 2.9398239 (550.9826, 564.35)(275.99323, 8688.127)(276.99475, 1726.0317)(277.9944, 751.49)(293.0191, 690.25)(297.973, 575.88) 14 274.986 274.986@2.9398239 + 573.1889@2.966796 2.966796 (574.1964, 3250.855)(575.19946, 948.385) 2 573.1889 573.1889@2.966796 + 223.0867@2.9707649 2.9707649 (224.09398, 21406.002)(225.09981, 2172.6084) 7 223.0867 223.0867@2.9707649 + 426.1156@2.978941 2.978941 (427.123, 3653.61)(428.1273, 859.8313)(409.1123, 10640.47)(410.1155, 1765.53) 10 426.1156 426.1156@2.978941 + 429.1466@2.9893384 2.9893384 (430.1538, 2524.2944)(431.1625, 877.98)(412.1436, 4054.8132)(413.14737, 936.4766) 7 429.1466 429.1466@2.9893384 + 406.0687@2.9776745 2.9776745 (407.07584, 2700.1238)(408.0722, 1142.85)(409.0742, 1393.2) 16 406.0687 406.0687@2.9776745 + 3-(a-Naphthoxy)lactic acid glucuronide 2.9584527 3-(a-Naphthoxy)lactic acid glucuronide [ C19 H20 O10, mfg=96.89, db=96.92, overall=96.90, CAS ID=110300-11-3, METLIN ID=2173 ] 110300-11-3 (409.11234, 11124.879)(410.11526, 1925.6934)(411.1181, 754.44)(391.102, 54770.168)(392.10532, 9983.376)(393.10825, 2897.74)(431.09534, 785.08496) 17 408.1051 3-(a-Naphthoxy)lactic acid glucuronide + 203.0489@2.9465902 2.9465902 (204.05637, 17329.213)(205.05826, 4109.82) 5 203.0489 203.0489@2.9465902 + 267.0947@2.980047 2.980047 (268.1044, 2473.54)(269.10825, 861.78503) 2 267.0947 267.0947@2.980047 + 428.1452@2.95136 2.95136 (429.1561, 3013.5)(411.1466, 1648.5) 3 428.1452 428.1452@2.95136 + 411.1364@3.0159009 3.0159009 (412.1438, 7094.332)(413.14798, 1482.2617)(394.1338, 4481.25)(395.1382, 597.03) 7 411.1364 411.1364@3.0159009 + Procyanidin B1 2.9883502 C10221 Procyanidin B1 [ C30 H26 O12, mfg=63.30, db=63.34, overall=63.32, Lipid ID=LMPK12030001, KEGG ID=C10221, METLIN ID=47500 ] (579.15173, 5806.777)(580.15515, 1485.6323)(581.1674, 762.50903)(596.1732, 912.29) 29 578.1443 Procyanidin B1 + LMPK12030001 301.0641@3.0018296 3.0018296 (302.0714, 8631.541)(303.07678, 1631.6748)(304.0747, 807.16724) 18 301.0641 301.0641@3.0018296 + C12 H36 Cl3 N14 S3 2.9883237 [ C12 H36 Cl3 N14 S3, mfg=47.62, overall=47.62 ] (578.1548, 3257.655) 16 577.1475 C12 H36 Cl3 N14 S3 + C40 H12 N13 2.989181 [ C40 H12 N13, mfg=63.61, overall=63.61 ] (675.14014, 1944.7446)(676.1475, 784.2454) 19 674.133 C40 H12 N13 + 452.1127@3.001 3.001 (453.1213, 974.08)(435.1093, 4208.8)(436.1141, 1080.74) 1 452.1127 452.1127@3.001 + 415.0948@3.0086563 3.0086563 (416.102, 4369.899) 15 415.0948 415.0948@3.0086563 + 416.0913@3.014335 3.014335 (417.0984, 6444.6406)(418.10147, 1338.1382)(419.10248, 746.88)(399.091, 1398.6) 24 416.0913 416.0913@3.014335 + 324.0295@3.009678 3.009678 (325.03766, 1167.1066)(307.02634, 6971.16)(308.029, 1107.3134) 3 324.0295 324.0295@3.009678 + 668.1739@3.0128825 3.0128825 (669.18304, 1787.9824)(670.1886, 1195.725)(686.2021, 883.49) 4 668.1739 668.1739@3.0128825 + 512.0791@3.0079298 3.0079298 (513.08624, 1188.5499)(495.07596, 12168.368)(496.0786, 3023.468)(497.07925, 1217.9559) 9 512.0791 512.0791@3.0079298 + 475.1707@3.003339 3.003339 (476.17813, 2694.049)(477.1809, 929.85876) 12 475.1707 475.1707@3.003339 + C22 H27 N5 S4 3.0385673 [ C22 H27 N5 S4, mfg=84.98, overall=84.98 ] (490.12103, 3885.791)(491.1244, 1106.6227)(492.12625, 773.25) 19 489.1139 C22 H27 N5 S4 + C19 H16 N3 O13 3.031164 [ C19 H16 N3 O13, mfg=93.75, overall=93.75 ] (495.0759, 12036.613)(496.07852, 2792.5842)(497.07962, 1167.5094) 31 494.0686 C19 H16 N3 O13 + C27 H28 N3 O16 S 3.0219316 [ C27 H28 N3 O16 S, mfg=95.10, overall=95.10 ] (683.1259, 5661.0513)(684.1286, 1729.6987)(685.1296, 875.9621) 33 682.1186 C27 H28 N3 O16 S + 676.1647@3.011 3.011 (677.1719, 1528.02)(678.1738, 1075.0) 1 676.1647 676.1647@3.011 + Indican 3.012869 C08481 Indican [ C14 H17 N O6, mfg=76.39, db=76.35, overall=76.37, CAS ID=487-60-5, KEGG ID=C08481, HMP ID=HMDB00682, METLIN ID=524 ] 487-60-5 (296.115, 44765.906)(297.1188, 5551.2935)(298.1237, 1637.4452)(299.1207, 1501.42)(313.14346, 1061.3567) 34 295.1076 Indican HMDB00682 + C29 H22 N O4 S 3.0200777 [ C29 H22 N O4 S, mfg=94.76, overall=94.76 ] (481.13373, 6502.974)(482.13693, 1845.3163)(483.13745, 699.86005)(503.11618, 856.455) 32 480.1266 C29 H22 N O4 S + C18 H39 Cl2 N6 O11 S3 3.015779 [ C18 H39 Cl2 N6 O11 S3, mfg=47.62, overall=47.62 ] (682.1289, 4363.098) 27 681.1217 C18 H39 Cl2 N6 O11 S3 + 488.1139@3.0253375 3.0253375 (489.12137, 3734.5225)(490.1222, 2286.885) 15 488.1139 488.1139@3.0253375 + N,N-dimethylhistidine 3.0276031 C04259 N,N-dimethylhistidine [ C8 H13 N3 O2, mfg=69.35, db=69.35, overall=69.35, CAS ID=24940-57-6, KEGG ID=C04259, METLIN ID=44783 ] 24940-57-6 (367.2108, 1742.56)(384.2374, 1413.365)(389.1925, 923.04)(184.10808, 9409.4795)(185.11446, 1330.639)(186.11243, 1053.349) 22 183.1007 N,N-dimethylhistidine + 530.3022@3.0048118 3.0048118 (531.3096, 25625.27)(532.3132, 8380.632)(533.3121, 6041.312)(534.3137, 2408.2366)(535.3205, 523.51) 17 530.3022 530.3022@3.0048118 + 5-Methylthioribose 3.0358496 C03089 5-Methylthioribose [ C6 H12 O4 S, mfg=97.54, db=97.53, overall=97.53, CAS ID=23656-67-9, KEGG ID=C03089, HMP ID=HMDB01087, METLIN ID=5995 ] 23656-67-9 (181.05307, 22084.3)(182.05586, 2201.9597)(183.04979, 1450.954)(163.04465, 2212.38)(198.0772, 1208.95) 35 180.0458 5-Methylthioribose HMDB01087 + 206.0439@3.034 3.034 (207.0512, 3878.26) 1 206.0439 206.0439@3.034 + 163.1357@3.0743492 3.0743492 (164.14307, 8812.62)(165.14635, 1267.9244)(181.1666, 899.61) 12 163.1357 163.1357@3.0743492 + Riboflavin (Vitamin B2) 3.0548222 C00255 Riboflavin (Vitamin B2) [ C17 H20 N4 O6, mfg=77.85, db=77.84, overall=77.84, CAS ID=83-88-5, KEGG ID=C00255, METLIN ID=233 ] 83-88-5 (377.14554, 6236.8086)(378.14914, 1504.6241)(379.1557, 725.805)(399.12744, 1350.8306) 33 376.1382 Riboflavin (Vitamin B2) + D-Asparagine + 3.0625474 3.0625474 C01905 D-Asparagine [ C4 H8 N2 O3, mfg=95.60, db=95.60, overall=95.60, CAS ID=2058-58-4, KEGG ID=C01905, METLIN ID=65674 ] 2058-58-4 (265.11365, 6291.693)(266.11734, 1466.3817)(267.11386, 1154.535)(133.06067, 68899.89)(134.06537, 4110.628)(135.06505, 1481.7943)(150.0891, 1413.84)(155.045, 1430.765) 37 132.0534 D-Asparagine + 3.0625474 + C8 H16 N2 O2 3.061557 [ C8 H16 N2 O2, mfg=76.98, overall=76.98 ] (173.12857, 14298.944)(174.13171, 1788.2992)(175.12401, 1051.8425) 15 172.1214 C8 H16 N2 O2 + Xanthine 3.06367 C00385 Xanthine [ C5 H4 N4 O2, mfg=57.77, db=57.74, overall=57.75, CAS ID=69-89-6, KEGG ID=C00385, HMP ID=HMDB00292, METLIN ID=82 ] 69-89-6 (153.04056, 9776.854)(154.0496, 1988.6381)(155.0453, 1310.5033) 17 152.0333 Xanthine HMDB00292 + 284.0759@3.0616443 3.0616443 (569.1571, 1374.16)(591.1383, 936.71)(285.0832, 9698.544)(286.08655, 1874.2114)(287.0886, 773.1367)(307.06482, 4527.67)(308.06808, 1058.1324) 27 284.0759 284.0759@3.0616443 + C14 H23 N S 3.0783012 [ C14 H23 N S, mfg=64.10, overall=64.10 ] (238.165, 7509.353)(239.1585, 2034.27)(240.1529, 849.09) 25 237.1577 C14 H23 N S + C7 H14 N2 O2 3.0764356 [ C7 H14 N2 O2, mfg=74.04, overall=74.04 ] (159.1128, 13607.095)(160.11627, 1640.0317)(161.1073, 1023.13) 7 158.1055 C7 H14 N2 O2 + Hypoxanthine + 3.086139 3.086139 C00262 Hypoxanthine [ C5 H4 N4 O, mfg=93.21, db=93.20, overall=93.21, CAS ID=68-94-0, KEGG ID=C00262, HMP ID=HMDB00157, METLIN ID=83 ] 68-94-0 (137.04588, 374051.75)(138.0505, 28377.602)(139.05052, 3738.7024)(159.02695, 1432.72) 27 136.0386 Hypoxanthine + 3.086139 HMDB00157 + 290.0626@3.1193357 3.1193357 (291.07022, 18294.516)(292.073, 10894.86)(293.0754, 2282.36)(313.0516, 816.56) 5 290.0626 290.0626@3.1193357 + Homomethionine 3.0937402 C17213 Homomethionine [ C6 H13 N O2 S, mfg=75.01, db=75.00, overall=75.00, CAS ID=, KEGG ID=C17213, METLIN ID=64484 ] (327.14188, 2202.36)(328.1544, 552.11)(164.07426, 9280.524)(165.07529, 1103.9905)(166.06416, 952.5533) 21 163.067 Homomethionine + Methylimidazole acetaldehyde 3.118276 C05827 Methylimidazole acetaldehyde [ C6 H8 N2 O, mfg=80.28, db=80.28, overall=80.28, CAS ID=19639-03-3, KEGG ID=C05827, HMP ID=HMDB04181, METLIN ID=58224 ] 19639-03-3 (125.07101, 42586.71)(126.07127, 5265.3477)(127.07378, 1867.5024)(147.05374, 1878.75) 18 124.0637 Methylimidazole acetaldehyde HMDB04181 + 332.1032@3.1419501 3.1419501 (333.11066, 2274.915)(334.125, 782.16)(350.1376, 1352.34)(355.0937, 1711.01) 2 332.1032 332.1032@3.1419501 + Clitidine 3.1375344 C19977 Clitidine [ C11 H14 N2 O6, mfg=95.95, db=95.94, overall=95.95, CAS ID=63592-84-7, KEGG ID=C19977, METLIN ID=73464 ] 63592-84-7 (271.09265, 20055.777)(272.09662, 2782.9363)(273.09814, 933.8011)(288.1224, 558.29)(293.0761, 1063.855) 34 270.0853 Clitidine + C9 H14 N2 O2 3.1384523 [ C9 H14 N2 O2, mfg=81.78, overall=81.78 ] (365.2171, 747.24)(183.11258, 18415.998)(184.11433, 2487.6985)(165.1043, 966.35) 27 182.1054 C9 H14 N2 O2 + 104.0262@3.1443248 3.1443248 (105.03348, 117761.95)(106.03703, 14366.703)(107.039795, 1419.9667) 8 104.0262 104.0262@3.1443248 + 179.0585@3.1460555 3.1460555 (359.12354, 3589.9563)(360.1297, 994.67505)(381.10522, 15850.609)(382.10886, 4188.1934)(383.11246, 702.405)(180.06583, 260125.97)(181.0684, 27857.822)(182.0719, 7877.415)(183.0744, 466.6)(202.04759, 41883.98)(203.05101, 6532.5835)(204.0611, 921.625) 9 179.0585 179.0585@3.1460555 + 354.0876@3.149 3.149 (355.0949, 2146.85) 1 354.0876 354.0876@3.149 + 85.0161@3.1499548 3.1499548 (86.0236, 1622.825)(103.05005, 27043.65)(104.0529, 1575.22) 2 85.0161 85.0161@3.1499548 + L-beta-aspartyl-L-threonine 3.153038 L-beta-aspartyl-L-threonine [ C8 H14 N2 O6, mfg=92.20, db=92.16, overall=92.18, HMP ID=HMDB11169, METLIN ID=62018 ] (235.09311, 4381.739)(236.09982, 1361.7633)(237.09344, 716.14)(217.08192, 2621.2903)(218.0886, 1119.245)(257.07468, 14213.552)(258.07858, 1744.8081)(259.07867, 783.04395) 26 234.0854 L-beta-aspartyl-L-threonine HMDB11169 + 74.048@3.151 3.151 (75.0553, 1387.35) 1 74.048 74.048@3.151 + Deoxyguanosine 3.1589007 C00330 Deoxyguanosine [ C10 H13 N5 O4, mfg=80.50, db=80.50, overall=80.50, CAS ID=961-07-9, KEGG ID=C00330, HMP ID=HMDB00085, METLIN ID=3395 ] 961-07-9 (268.10416, 205795.97)(269.10458, 44693.477)(270.10764, 7472.8555)(290.08746, 1081.634) 37 267.0969 Deoxyguanosine HMDB00085 + C9 H16 N2 O2 3.1949992 [ C9 H16 N2 O2, mfg=90.92, overall=90.92 ] (185.1284, 43205.152)(186.12933, 5583.3325)(187.1306, 1102.1466) 37 184.1211 C9 H16 N2 O2 + N-Acetyl-D-tryptophan 3.2105124 C03137 N-Acetyl-D-tryptophan [ C13 H14 N2 O3, mfg=98.24, db=98.24, overall=98.24, CAS ID=2280-01-5, KEGG ID=C03137, METLIN ID=65911 ] 1/5/2280 (493.20786, 3206.804)(494.21182, 1364.5457)(495.2131, 662.91)(515.19006, 1971.505)(516.1947, 1199.7151)(247.10786, 60486.688)(248.1115, 10088.827)(249.11465, 1585.1309)(250.1169, 436.94)(229.09946, 4822.23)(230.10489, 1095.26)(264.1345, 954.92)(269.09058, 13354.331)(270.09372, 2597.725) 35 246.1006 N-Acetyl-D-tryptophan + Harmalol 3.2085829 C06537 Harmalol [ C12 H12 N2 O, mfg=70.50, db=70.47, overall=70.49, CAS ID=525-57-5, KEGG ID=C06537, METLIN ID=3337 ] 525-57-5 (201.10269, 7960.732)(202.10648, 1802.8613) 9 200.0953 Harmalol + Isovalerylalanine 3.2196655 Isovalerylalanine [ C8 H15 N O3, mfg=81.76, db=81.76, overall=81.76, CAS ID=68219-63-6, HMP ID=HMDB00747, METLIN ID=5715 ] 68219-63-6 (347.21783, 1487.39)(364.244, 615.02)(174.11243, 19592.066)(175.11581, 2399.0608)(176.10669, 1051.7776)(196.096, 2692.93)(197.101, 901.5)(198.0956, 1020.71) 18 173.1051 Isovalerylalanine HMDB00747 + 213.147@3.2117336 3.2117336 (214.15446, 6493.7236)(215.1587, 1232.6324)(216.1589, 592.73)(236.1374, 2259.78) 9 213.147 213.147@3.2117336 + 149.1201@3.3081117 3.3081117 (150.12738, 9306.829)(151.1305, 1557.5988)(152.1278, 854.95) 20 149.1201 149.1201@3.3081117 + 268.0808@3.109423 3.109423 (537.16864, 142416.16)(538.17145, 41388.9)(539.1737, 8385.854)(540.17596, 1580.1039)(559.1504, 46984.816)(560.1533, 14358.349)(561.1556, 3113.5435)(562.1644, 314.34)(269.08878, 193403.92)(270.09204, 25793.693)(271.09476, 7239.29)(272.0988, 1314.46)(291.06985, 63615.59)(292.07315, 8505.601)(293.0757, 1956.5044) 24 268.0808 268.0808@3.109423 + 859.6011@3.2491727 3.2491727 (860.6092, 2372.768)(861.6123, 1338.808)(862.6241, 828.21)(882.5905, 1226.8066)(883.5943, 913.45) 5 859.6011 859.6011@3.2491727 + 136.0386@3.2704568 3.2704568 (137.04588, 129457.86)(138.05338, 16585.645)(139.051, 2203.8) 8 136.0386 136.0386@3.2704568 + 205.0741@3.28677 3.28677 (206.08144, 22774.219)(207.08469, 3429.0637)(228.06427, 4140.5225)(229.06535, 1449.5549) 8 205.0741 205.0741@3.28677 + 130.0419@3.287095 3.287095 (131.04926, 16531.633)(132.05353, 1913.745) 9 130.0419 130.0419@3.287095 + 5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline 3.3248916 C06726 5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline [ C10 H11 N O3, mfg=77.49, db=77.45, overall=77.47, KEGG ID=C06726, METLIN ID=66506 ] (387.15833, 1437.1001)(409.1386, 651.28)(194.08179, 21014.824)(195.08652, 3056.8743)(176.0718, 5179.67)(216.06454, 1335.3567) 32 193.0741 5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline + 3-Indoleacetic Acid 3.34169 C00954 3-Indoleacetic Acid [ C10 H9 N O2, db=47.61, overall=23.81, CAS ID=87-51-4, KEGG ID=C00954, HMP ID=HMDB00197, METLIN ID=70 ] 87-51-4 (193.09712, 21398.162)(175.0889, 1031.67) 23 192.0899 3-Indoleacetic Acid HMDB00197 + 190.0743@3.3350284 3.3350284 (191.08162, 10323.117)(192.08662, 1690.0332) 3 190.0743 190.0743@3.3350284 + Lys-Lys-OH 3.347584 Lys-Lys-OH [ C17 H26 N4 O6, mfg=43.60, db=57.55, overall=50.57, METLIN ID=65269 ] (400.2178, 3832.3267)(401.21863, 1268.2715)(402.2202, 743.82) 30 399.2102 Lys-Lys-OH + 302.079@3.352954 3.352954 (303.08624, 4009.7935)(304.09006, 974.17816) 15 302.079 302.079@3.352954 + C4 H6 O2 S 3.3720002 [ C4 H6 O2 S, mfg=68.53, overall=68.53 ] (119.01592, 4929.534)(120.0191, 1079.69)(121.0144, 751.67)(136.04274, 15160.477)(137.04633, 1771.6951) 14 118.0089 C4 H6 O2 S + 876.6575@3.4020755 3.4020755 (877.6643, 1987.3398)(878.6662, 806.6233) 3 876.6575 876.6575@3.4020755 + 157.0175@3.3723931 3.3723931 (158.02483, 6987.8223)(159.02658, 1037.7521)(160.02203, 779.8599) 11 157.0175 157.0175@3.3723931 + 256.1065@3.3946197 3.3946197 (257.11374, 4150.965)(258.11688, 1035.5475)(259.1167, 318.94)(279.0936, 2040.06) 6 256.1065 256.1065@3.3946197 + Psicofuranine 3.396048 C05342 Psicofuranine [ C11 H15 N5 O5, mfg=70.17, db=70.17, overall=70.17, CAS ID=1874-54-0, KEGG ID=C05342, METLIN ID=66308 ] 1874-54-0 (298.11536, 20874.072)(299.11285, 5359.2803)(300.11694, 950.6579)(280.1016, 1197.84)(320.09763, 1790.9268)(321.1092, 868.89) 34 297.1077 Psicofuranine + 875.6538@3.4378154 3.4378154 (876.66113, 7618.9375)(877.6646, 4024.8013)(878.6668, 1435.5537) 9 875.6538 875.6538@3.4378154 + C14 H30 O8 3.4349008 [ C14 H30 O8, mfg=99.82, overall=99.82 ] (327.20108, 26243.805)(328.2045, 4745.8677)(329.207, 1340.8925)(344.22784, 302186.5)(345.23105, 46912.266)(346.23312, 8516.677)(347.23547, 1191.0104)(348.2365, 691.2)(349.18414, 1598.5273)(350.18475, 1131.01) 35 326.194 C14 H30 O8 + C22 H31 N2 S 3.4451733 [ C22 H31 N2 S, mfg=84.47, overall=84.47 ] (356.22778, 5893.4824)(357.23206, 1356.6307)(358.238, 572.555)(378.2134, 590.41) 35 355.2206 C22 H31 N2 S + C25 H51 N8 O6 S 3.4679596 [ C25 H51 N8 O6 S, mfg=93.20, overall=93.20 ] (592.372, 12892.076)(593.3748, 4502.5044)(594.37585, 1864.225)(574.3637, 965.71) 25 591.3648 C25 H51 N8 O6 S + 329.9346@3.474349 3.474349 (330.9419, 1198.97) 2 329.9346 329.9346@3.474349 + 125.0144@3.4786885 3.4786885 (126.0217, 2554.7349) 2 125.0144 125.0144@3.4786885 + 167.0254@3.4794219 3.4794219 (357.0373, 1227.54)(168.03229, 2535.137)(190.01505, 2452.2222) 11 167.0254 167.0254@3.4794219 + S-(Carboxymethyl)-L-cysteine 3.4975598 C03727 S-(Carboxymethyl)-L-cysteine [ C5 H9 N O4 S, mfg=80.55, db=80.55, overall=80.55, CAS ID=638-23-3, KEGG ID=C03727, METLIN ID=1525 ] 638-23-3 (359.0574, 1826.0634)(381.0393, 1634.9199)(180.03258, 20178.926)(181.03333, 2137.7615)(182.03333, 1857.9182)(183.0381, 618.13)(197.05795, 806.455)(202.01457, 3354.1523)(203.017, 690.495) 34 179.0253 S-(Carboxymethyl)-L-cysteine + 221.0899@3.4986422 3.4986422 (465.1692, 2489.17)(466.1733, 958.63)(222.0976, 8152.851)(223.10277, 1466.73)(224.09766, 903.88245)(204.08687, 12332.007)(205.09149, 1470.48)(206.08615, 941.25)(239.1258, 1865.76)(244.07932, 7344.5044)(245.08609, 1009.18)(246.0834, 795.53) 11 221.0899 221.0899@3.4986422 + 185.0692@3.5 3.5 (186.0765, 5328.88)(187.0821, 986.78)(168.066, 2181.95) 1 185.0692 185.0692@3.5 + Psicofuranine + 3.517004 3.517004 C05342 Psicofuranine [ C11 H15 N5 O5, mfg=38.31, db=53.39, overall=45.85, CAS ID=1874-54-0, KEGG ID=C05342, METLIN ID=66308 ] 1874-54-0 (298.11472, 7333.698)(299.11365, 4251.11)(300.1242, 833.58)(315.1429, 793.69)(320.09897, 1312.0957) 32 297.1077 Psicofuranine + 3.517004 + 171.0905@3.5167413 3.5167413 (172.09746, 14662.913)(173.0977, 2368.6262)(174.0957, 823.735) 9 171.0905 171.0905@3.5167413 + 225.1005@3.519 3.519 (226.1056, 811.18)(208.0972, 10194.67)(209.0989, 1020.81) 1 225.1005 225.1005@3.519 + 268.0027@3.56644 3.56644 (269.00977, 2298.8062)(270.0103, 628.825) 5 268.0027 268.0027@3.56644 + D-Alanine 3.5739682 C00133 D-Alanine [ C3 H7 N O2, mfg=87.29, db=87.29, overall=87.29, CAS ID=338-69-2, KEGG ID=C00133, HMP ID=HMDB01310, METLIN ID=58035 ] 338-69-2 (90.05495, 39522.695)(91.05778, 1998.0781)(72.04435, 4244.6577) 36 89.0477 D-Alanine HMDB01310 + D-Asparagine + 3.5735521 3.5735521 C01905 D-Asparagine [ C4 H8 N2 O3, mfg=99.33, db=99.33, overall=99.33, CAS ID=2058-58-4, KEGG ID=C01905, METLIN ID=65674 ] 2058-58-4 (265.1141, 9951.937)(266.118, 1751.3597)(267.1187, 964.2155)(287.0973, 1831.8379)(288.10056, 793.0633)(133.06073, 268786.7)(134.0642, 14648.418)(135.06511, 2719.2412)(136.07045, 456.99)(115.050064, 133527.2)(116.053696, 7393.523)(117.05843, 1064.8378)(155.04271, 46990.344)(156.04669, 2562.2415)(157.05223, 1104.14) 36 132.0534 D-Asparagine + 3.5735521 + 72.0325@3.5731711 3.5731711 (145.0749, 947.03)(73.039825, 5105.01) 22 72.0325 72.0325@3.5731711 + C19 H8 N4 O 3.5725307 [ C19 H8 N4 O, mfg=84.16, overall=84.16 ] (309.07758, 3282.5334)(310.08057, 783.4067)(331.0596, 2244.1213) 21 308.0703 C19 H8 N4 O + 300.1323@3.5859716 3.5859716 (301.13937, 2958.0)(302.1431, 849.11) 3 300.1323 300.1323@3.5859716 + Nalidixic acid 3.6008804 C05079 Nalidixic acid [ C12 H12 N2 O3, mfg=82.55, db=82.54, overall=82.55, CAS ID=389-08-2, KEGG ID=C05079, METLIN ID=1408 ] 389-08-2 (233.09232, 12266.863)(234.09622, 2244.21)(235.099, 1112.0166)(250.1153, 949.87)(255.0765, 2308.67) 20 232.0849 Nalidixic acid + 387.3345@3.6803207 3.6803207 (388.34146, 6034.885)(389.34494, 1885.9349) 6 387.3345 387.3345@3.6803207 + 790.0641@3.6311338 3.6311338 (791.0716, 1159.9434) 3 790.0641 790.0641@3.6311338 + L-Methionine 3.6429126 C00073 L-Methionine [ C5 H11 N O2 S, mfg=97.54, db=97.54, overall=97.54, CAS ID=63-68-3, KEGG ID=C00073, HMP ID=HMDB00696, METLIN ID=26 ] 63-68-3 (150.05829, 126545.28)(151.06143, 8186.317)(152.05771, 6797.056)(153.06596, 994.8667)(132.04778, 6897.1445)(167.085, 1555.59)(172.04047, 3165.456) 37 149.0511 L-Methionine HMDB00696 + Acetone cyanohydrin 3.6427777 C02659 Acetone cyanohydrin [ C4 H7 N O, mfg=85.01, db=85.00, overall=85.00, CAS ID=75-86-5, KEGG ID=C02659, METLIN ID=63623 ] 75-86-5 (86.05989, 42664.98)(87.059235, 2855.2354)(88.0576, 876.68) 37 85.0526 Acetone cyanohydrin + Propanethial S-oxide 3.6413476 C08389 Propanethial S-oxide [ C3 H6 O S, mfg=47.34, db=47.31, overall=47.32, CAS ID=32157-29-2, KEGG ID=C08389, METLIN ID=66934 ] 32157-29-2 (215.08897, 1293.8201)(108.04756, 5177.66)(90.03708, 5004.5903)(91.0461, 716.89) 18 107.0403 Propanethial S-oxide + C12 H25 N O7 3.6487913 [ C12 H25 N O7, mfg=97.10, overall=97.10 ] (296.17044, 25118.43)(297.1738, 3782.2517)(298.17902, 1067.753) 35 295.1632 C12 H25 N O7 + C27 H52 N2 O S3 3.6390095 [ C27 H52 N2 O S3, mfg=92.92, overall=92.92 ] (517.33057, 16764.6)(518.3342, 6114.5425)(519.33325, 3234.2888)(520.3318, 702.01)(499.3135, 1666.05)(500.3187, 398.57) 20 516.3234 C27 H52 N2 O S3 + 521.2785@3.6302066 3.6302066 (1043.563, 1362.5951)(1044.5658, 958.8867)(1045.5702, 738.44)(1065.547, 936.56006)(1066.5474, 845.53)(522.2857, 8176.192)(523.28937, 3097.363)(524.2898, 1875.1749)(544.268, 3388.467)(545.27264, 1700.8201)(546.27124, 976.44995) 13 521.2785 521.2785@3.6302066 + 4-Nitroaniline + 3.668444 3.668444 C02126 4-Nitroaniline [ C6 H6 N2 O2, mfg=96.16, db=96.16, overall=96.16, CAS ID=100-01-6, KEGG ID=C02126, METLIN ID=65716 ] 100-01-6 (277.09323, 10184.316)(278.09726, 2444.1118)(279.09644, 1142.195)(139.05023, 138985.77)(140.05307, 11326.08)(141.06299, 2868.545)(161.0324, 827.23254) 37 138.0429 4-Nitroaniline + 3.668444 + Phenylethylamine 3.70951 C05332 Phenylethylamine [ C8 H11 N, mfg=36.18, db=36.11, overall=36.15, CAS ID=64-04-0, KEGG ID=C05332, HMP ID=HMDB12275, METLIN ID=62906 ] 64-04-0 (122.09601, 25949.99)(123.09722, 2520.8677)(124.0854, 3243.28) 31 121.0887 Phenylethylamine HMDB12275 + 482.8711@3.6905549 3.6905549 (483.87827, 10948.07)(484.8778, 1397.6051) 17 482.8711 482.8711@3.6905549 + 121.1301@3.7027206 3.7027206 (122.13761, 1277.3611) 9 121.1301 121.1301@3.7027206 + C21 H27 N2 S 3.6960733 [ C21 H27 N2 S, mfg=74.40, overall=74.40 ] (340.19666, 5017.9644)(341.2008, 1209.2928) 29 339.1894 C21 H27 N2 S + 947.7112@3.6931572 3.6931572 (948.71844, 5003.7153)(949.72205, 2931.6416)(950.7239, 1427.8766)(951.72687, 333.94) 20 947.7112 947.7112@3.6931572 + C16 H46 N14 O S 3.6946955 [ C16 H46 N14 O S, mfg=93.93, overall=93.93 ] (483.37646, 19624.729)(484.37878, 3997.3604)(485.37457, 725.55286) 18 482.3691 C16 H46 N14 O S + C14 H18 N O3 S 3.706156 [ C14 H18 N O3 S, mfg=70.05, overall=70.05 ] (281.10672, 5327.439)(282.112, 1176.5632)(283.10995, 864.4888)(298.137, 693.01) 31 280.0994 C14 H18 N O3 S + C9 H11 N3 O4 3.7330785 [ C9 H11 N3 O4, mfg=95.98, overall=95.98 ] (451.15717, 2361.1643)(452.16016, 1247.2651)(226.08247, 29787.098)(227.08557, 3901.8298)(228.08995, 1065.4026)(243.1093, 780.29)(248.06465, 2928.651)(249.0702, 1190.225) 37 225.0751 C9 H11 N3 O4 + 111.0432@3.7297492 3.7297492 (223.0949, 2870.22)(224.0936, 1127.89)(245.0749, 3195.46)(112.05056, 10278.66)(113.0614, 1508.76) 5 111.0432 111.0432@3.7297492 + N2,N2-Dimethylguanosine 3.7350883 N2,N2-Dimethylguanosine [ C12 H17 N5 O5, mfg=41.54, db=38.90, overall=40.22, CAS ID=2140-67-2, HMP ID=HMDB04824, METLIN ID=7086 ] 2140-67-2 (312.1307, 4584.4043)(313.1423, 1319.8604)(334.11362, 999.62634) 30 311.1231 N2,N2-Dimethylguanosine HMDB04824 + C14 H24 N2 O S2 3.7439437 [ C14 H24 N2 O S2, mfg=86.21, overall=86.21 ] (301.13937, 5517.6426)(302.14307, 1187.5684)(303.1423, 699.18)(323.1237, 675.0) 27 300.132 C14 H24 N2 O S2 + C15 H44 N14 O S 3.7505488 [ C15 H44 N14 O S, mfg=93.84, overall=93.84 ] (469.36063, 19100.994)(470.3619, 4115.455)(471.3595, 708.595) 29 468.3533 C15 H44 N14 O S + 468.8553@3.7504113 3.7504113 (469.86255, 10368.006)(470.86282, 1205.0948) 28 468.8553 468.8553@3.7504113 + 919.68@3.7507517 3.7507517 (920.6873, 5982.366)(921.69086, 3239.1858)(922.6934, 1456.6381)(923.6972, 591.8467) 29 919.68 919.68@3.7507517 + 272.079@3.741 3.741 (273.0863, 2575.82) 1 272.079 272.079@3.741 + C13 H10 N6 3.7529218 [ C13 H10 N6, mfg=80.50, overall=80.50 ] (251.10304, 17134.543)(252.11104, 2971.0479)(253.1107, 1138.1083)(233.09132, 2208.17)(234.08607, 681.86334)(268.1276, 606.38)(273.08618, 2450.2454)(274.0906, 940.3166) 29 250.0955 C13 H10 N6 + 420.2637@3.765 3.765 (421.2699, 1086.47)(443.2533, 2561.45)(444.2599, 693.74) 1 420.2637 420.2637@3.765 + 437.29@3.776303 3.776303 (438.29745, 3651.9485)(439.29944, 1148.1095)(460.2779, 1371.55) 22 437.29 437.29@3.776303 + 754.0359@3.7941723 3.7941723 (755.0432, 1558.4268) 3 754.0359 754.0359@3.7941723 + 5-Methylcytidine 3.7899442 5-Methylcytidine [ C10 H15 N3 O5, mfg=94.17, db=94.17, overall=94.17, CAS ID=2140-61-6, HMP ID=HMDB00982, METLIN ID=5919 ] 2140-61-6 (515.20953, 2066.8557)(516.2133, 2872.98)(258.10858, 28722.49)(259.1127, 3696.6792)(260.11667, 1136.5052)(280.09186, 2111.6194)(281.08917, 832.0814) 37 257.1014 5-Methylcytidine HMDB00982 + Methylenediurea 3.78813 C06381 Methylenediurea [ C3 H8 N4 O2, mfg=98.19, db=97.27, overall=97.73, KEGG ID=C06381, METLIN ID=66388 ] (265.13696, 2004.0151)(266.1381, 1053.91)(282.1654, 916.97)(287.11893, 6492.047)(288.1225, 1346.9806)(289.12372, 691.91504)(133.07188, 74555.05)(134.07494, 3381.4158)(135.07307, 1054.245)(155.054, 176659.75)(156.05792, 7810.308)(157.0546, 1804.9125) 36 132.0647 Methylenediurea + Urea + 3.788126 3.788126 C00086 Urea [ C H4 N2 O, db=83.18, overall=83.18, CAS ID=57-13-6, KEGG ID=C00086, HMP ID=HMDB00294, METLIN ID=6 ] 57-13-6 (61.03961, 21480.049)(62.04255, 947.33746) 35 60.0323 Urea + 3.788126 HMDB00294 + Cytosine 3.7902985 C00380 Cytosine [ C4 H5 N3 O, mfg=71.96, db=71.95, overall=71.95, CAS ID=71-30-7, KEGG ID=C00380, HMP ID=HMDB00630, METLIN ID=283 ] 71-30-7 (112.05063, 27615.49)(113.058205, 2517.3518) 34 111.0433 Cytosine HMDB00630 + N-(Aminomethyl)urea 3.787943 C06383 N-(Aminomethyl)urea [ C2 H7 N3 O, db=83.50, overall=41.75, KEGG ID=C06383, METLIN ID=66390 ] (196.1552, 1237.06)(90.06613, 14821.831)(91.06749, 1011.4728) 32 89.0589 N-(Aminomethyl)urea + 438.215@3.809642 3.809642 (439.22232, 1861.3586)(440.2257, 612.31) 7 438.215 438.215@3.809642 + Ramipril 3.809555 C07232 Ramipril [ C23 H32 N2 O5, mfg=41.02, db=58.60, overall=49.81, CAS ID=87333-19-5, KEGG ID=C07232, METLIN ID=2243 ] 87333-19-5 (434.26666, 3437.348)(435.27075, 1308.8583) 19 433.2593 Ramipril + 266.0016@3.8045778 3.8045778 (267.00876, 2495.6472)(268.013, 913.5) 12 266.0016 266.0016@3.8045778 + 624.1164@3.806604 3.806604 (625.12335, 2316.004)(626.1249, 839.88605) 8 624.1164 624.1164@3.806604 + C35 H59 N2 O4 S2 3.8169067 [ C35 H59 N2 O4 S2, mfg=91.45, overall=91.45 ] (636.3981, 15817.105)(637.401, 5780.7056)(638.40155, 2393.951)(639.40015, 1447.5449) 25 635.3908 C35 H59 N2 O4 S2 + 392.2328@3.8177936 3.8177936 (393.23917, 2042.3386)(394.24567, 767.84753)(410.26706, 13307.23)(411.27054, 2895.5)(412.27734, 1013.5833)(415.22162, 5225.9497)(416.2325, 1396.8) 14 392.2328 392.2328@3.8177936 + 409.26@3.8221762 3.8221762 (410.2698, 5977.776)(411.27386, 1521.8108)(412.27094, 810.705) 24 409.26 409.26@3.8221762 + 414.2148@3.827617 3.827617 (415.2219, 3331.1306)(416.22842, 1255.092)(437.2046, 1169.4166) 11 414.2148 414.2148@3.827617 + 535.6048@3.8273792 3.8273792 (536.6122, 4283.28)(537.6156, 2284.8) 2 535.6048 535.6048@3.8273792 + 521.5896@3.8380432 3.8380432 (522.5969, 52239.965)(523.60016, 21854.486)(524.60376, 4757.8804)(525.6069, 408.72) 3 521.5896 521.5896@3.8380432 + 507.5736@3.8423672 3.8423672 (508.58066, 3192.3232)(509.5844, 2093.775)(510.5874, 729.17) 3 507.5736 507.5736@3.8423672 + Adenine 3.831744 C00147 Adenine [ C5 H5 N5, mfg=61.04, db=61.03, overall=61.04, CAS ID=73-24-5, KEGG ID=C00147, HMP ID=HMDB00034, METLIN ID=85 ] 73-24-5 (271.11765, 855.895)(136.06166, 32029.305)(137.06934, 3040.4385)(138.05585, 3045.3337) 36 135.0544 Adenine HMDB00034 + 493.5583@3.8531861 3.8531861 (494.5652, 11904.099)(495.5683, 4918.97)(496.5719, 1861.765) 5 493.5583 493.5583@3.8531861 + 547.6053@3.849696 3.849696 (548.6125, 6586.19)(549.6149, 3357.5134) 3 547.6053 547.6053@3.849696 + 479.5424@3.8423743 3.8423743 (480.54962, 2910.505)(481.5524, 1439.52) 2 479.5424 479.5424@3.8423743 + 465.527@3.8596818 3.8596818 (466.53403, 5139.4233)(467.53702, 2046.9767)(468.5402, 914.83) 3 465.527 465.527@3.8596818 + 451.5105@3.8663397 3.8663397 (452.51846, 2085.7366)(453.52216, 783.35) 3 451.5105 451.5105@3.8663397 + C15 H31 N8 O4 3.8685062 [ C15 H31 N8 O4, mfg=97.67, overall=97.67 ] (388.25378, 66208.09)(389.25717, 12296.091)(390.26016, 2744.511) 31 387.2465 C15 H31 N8 O4 + 437.4951@3.8799467 3.8799467 (438.50287, 2620.2998)(439.50604, 1409.345) 4 437.4951 437.4951@3.8799467 + Monuron 3.8713799 C19087 Monuron [ C9 H11 Cl N2 O, mfg=40.55, db=43.07, overall=41.81, CAS ID=150-68-5, KEGG ID=C19087, METLIN ID=72829 ] 150-68-5 (199.06433, 6478.6123)(200.0702, 1101.785)(201.06555, 897.7249)(221.04651, 1532.5901) 20 198.0571 Monuron + 476.8521@3.8862183 3.8862183 (477.85956, 2509.6821)(478.8622, 759.6) 5 476.8521 476.8521@3.8862183 + 409.4641@3.895099 3.895099 (410.47134, 5043.526)(411.47525, 2130.6543)(412.4779, 997.25) 10 409.4641 409.4641@3.895099 + 635.5842@3.8939934 3.8939934 (636.5921, 2957.1033)(637.5957, 1586.4) 3 635.5842 635.5842@3.8939934 + C11 H19 N O4 3.9025676 [ C11 H19 N O4, mfg=81.66, overall=81.66 ] (230.13878, 8731.142)(231.14154, 1712.2719)(232.14404, 858.29004)(252.12207, 5550.01)(253.12863, 1397.3401)(254.1107, 580.84) 13 229.132 C11 H19 N O4 + 497.2808@3.9563925 3.9563925 (498.28796, 12919.444)(499.3006, 15778.92)(500.29388, 4347.995)(501.2931, 1176.37)(480.27783, 81771.77)(481.28082, 24060.027)(482.28064, 7317.868)(483.28134, 2729.442) 13 497.2808 497.2808@3.9563925 + 559.2549@3.901644 3.901644 (560.26245, 7345.7017)(561.26575, 2715.1013)(562.26575, 1320.75) 12 559.2549 559.2549@3.901644 + Taurocholic acid 3.9029086 C05122 Taurocholic acid [ C26 H45 N O7 S, mfg=95.05, db=95.05, overall=95.05, CAS ID=83830-80-2, Lipid ID=LMST05040001, KEGG ID=C05122, METLIN ID=34542 ] 83830-80-2 (1031.5903, 107624.44)(1032.5935, 65072.168)(1033.5934, 29888.568)(1034.5946, 12064.957)(1035.5957, 3398.6902)(1036.5948, 921.86005)(1053.5717, 26492.865)(1054.575, 15610.571)(1055.5756, 7278.6484)(1056.5754, 3136.314)(1057.5725, 909.42)(516.2992, 29883.262)(517.3019, 13802.683)(518.3022, 6094.5327)(519.30206, 1780.145)(498.2881, 69890.68)(499.2965, 33561.066)(500.29266, 11905.382)(501.29242, 2686.32)(502.2909, 782.91504)(533.3253, 137003.22)(534.328, 41161.023)(535.3302, 15113.158)(536.32916, 6096.4336)(537.33136, 1326.07)(538.2809, 17436.102)(539.2839, 5429.478)(540.28314, 2950.0515)(541.28546, 783.19995) 16 515.2918 Taurocholic acid + LMST05040001 395.4489@3.9127216 3.9127216 (396.45572, 2904.7832)(397.45917, 957.0) 3 395.4489 395.4489@3.9127216 + 504.8842@3.910118 3.910118 (505.8914, 22280.18)(506.89197, 2744.5996) 18 504.8842 504.8842@3.910118 + 504.3828@3.9111063 3.9111063 (505.38995, 43827.39)(506.39255, 9459.922)(507.3906, 1102.1263) 15 504.3828 504.3828@3.9111063 + 991.7371@3.9123015 3.9123015 (992.74457, 5728.0645)(993.74805, 3221.3923)(994.74866, 1411.7361)(995.754, 481.02002) 22 991.7371 991.7371@3.9123015 + 637.6002@3.9241397 3.9241397 (638.6068, 8571.266)(639.6102, 4673.5186)(640.6134, 7115.77) 10 637.6002 637.6002@3.9241397 + 691.6113@3.9106646 3.9106646 (692.61835, 17887.133)(693.62177, 8384.394)(694.6334, 36699.41)(695.6373, 15907.2)(696.6463, 8012.92) 3 691.6113 691.6113@3.9106646 + 609.5692@3.9102554 3.9102554 (610.5765, 17400.742)(611.57965, 8978.308)(612.58215, 4608.76)(613.5862, 972.44) 5 609.5692 609.5692@3.9102554 + 191.0622@3.917165 3.917165 (192.0695, 7983.237)(193.06918, 1350.4551)(194.0648, 637.1)(174.05951, 1578.6967)(214.05142, 1259.8401) 8 191.0622 191.0622@3.917165 + 639.4592@3.91 3.91 (640.4665, 1493.19) 1 639.4592 639.4592@3.91 + 381.433@3.9155774 3.9155774 (382.44046, 4468.84)(383.44333, 2006.1619) 9 381.433 381.433@3.9155774 + 183.0568@3.9180546 3.9180546 (184.06393, 11696.3545)(185.06789, 1397.7635)(186.06172, 1629.6683)(187.0739, 249.36)(166.0505, 1134.97)(206.04593, 2460.9253) 17 183.0568 183.0568@3.9180546 + 693.6265@3.924007 3.924007 (694.6335, 5666.4126)(695.63696, 3273.96)(696.6447, 2445.25) 4 693.6265 693.6265@3.924007 + 665.5985@3.9350028 3.9350028 (666.6048, 19953.846)(667.6076, 9068.29)(668.618, 13716.015) 4 665.5985 665.5985@3.9350028 + 862.6121@3.9325092 3.9325092 (863.61945, 1528.0459)(864.62256, 1099.672) 5 862.6121 862.6121@3.9325092 + 667.6114@3.946645 3.946645 (668.61835, 10565.952)(669.6213, 4989.7)(670.6256, 1496.605) 5 667.6114 667.6114@3.946645 + 681.6244@3.934 3.934 (682.6317, 3258.19)(683.6373, 1635.81) 1 681.6244 681.6244@3.934 + 637.5634@3.9443405 3.9443405 (638.57074, 10540.29)(639.5746, 4626.775) 2 637.5634 637.5634@3.9443405 + 653.5954@3.9443407 3.9443407 (654.603, 3999.07)(655.6053, 1522.9099)(656.6071, 888.01) 2 653.5954 653.5954@3.9443407 + 695.6419@3.9311829 3.9311829 (696.6493, 4144.47)(697.6532, 2580.05)(698.6551, 1630.26) 5 695.6419 695.6419@3.9311829 + 639.5796@3.954061 3.954061 (640.58704, 7882.458)(641.59015, 3622.7812)(642.5934, 1640.8833) 8 639.5796 639.5796@3.954061 + 679.6092@3.9016812 3.9016812 (680.61774, 2031.3232)(681.62115, 994.8867)(682.6319, 1249.27) 3 679.6092 679.6092@3.9016812 + Lupanyl Acid + 3.9595964 3.9595964 Lupanyl Acid [ C14 H24 N2 O2, mfg=46.76, db=69.82, overall=58.29, CAS ID=, METLIN ID=44429 ] (270.21713, 4789.5757)(271.22113, 1193.3124)(272.22202, 1078.73) 9 269.2101 Lupanyl Acid + 3.9595964 + 226.2046@3.952534 3.952534 (227.21161, 3810.8135) 3 226.2046 226.2046@3.952534 + Barringtogenol C 3.9616969 C08931 Barringtogenol C [ C30 H50 O5, mfg=79.66, db=79.71, overall=79.69, CAS ID=17304-24-4, KEGG ID=C08931, METLIN ID=67280 ] 17304-24-4 (491.37402, 32946.312)(492.37704, 6856.8096)(493.3724, 1058.1616) 29 490.3666 Barringtogenol C + C15 H31 N5 O3 3.963715 [ C15 H31 N5 O3, mfg=71.34, overall=71.34 ] (330.25012, 3862.1802)(331.2525, 1106.5825)(332.2401, 442.35)(352.23206, 4924.1533)(353.23492, 1397.5358) 8 329.2428 C15 H31 N5 O3 + C14 H3 O14 S3 3.9621422 [ C14 H3 O14 S3, mfg=69.64, overall=69.64 ] (491.87552, 17467.785)(492.87677, 2079.5532)(493.865, 682.0) 29 490.8682 C14 H3 O14 S3 + 963.7058@3.9612942 3.9612942 (964.71313, 5860.831)(965.71643, 3416.1267)(966.719, 1392.3523)(967.7217, 760.2001) 27 963.7058 963.7058@3.9612942 + 611.5479@3.9647267 3.9647267 (612.5556, 3565.7334)(613.5593, 1183.85) 6 611.5479 611.5479@3.9647267 + C24 H33 N25 3.9635332 [ C24 H33 N25, mfg=70.29, overall=70.29 ] (672.34216, 2892.9639)(673.346, 1239.6088) 30 671.335 C24 H33 N25 + 237.0868@3.9641612 3.9641612 (238.09442, 4533.595)(239.09526, 1133.0353)(260.07593, 2771.865)(261.0816, 807.5967) 19 237.0868 237.0868@3.9641612 + 651.5798@3.9543443 3.9543443 (652.5865, 3758.795)(653.58966, 2019.7451) 2 651.5798 651.5798@3.9543443 + C22 H47 N4 O2 3.9787686 [ C22 H47 N4 O2, mfg=71.87, overall=71.87 ] (400.37796, 7005.533)(401.38123, 2309.8306)(402.36725, 977.775) 31 399.3707 C22 H47 N4 O2 + 791.5658@3.9840996 3.9840996 (792.57214, 1355.6101)(793.5785, 827.79504)(794.5825, 592.34) 5 791.5658 791.5658@3.9840996 + 325.3708@3.9877205 3.9877205 (326.3779, 9254.508)(327.38077, 3120.1897)(328.3847, 4717.02) 28 325.3708 325.3708@3.9877205 + 602.5272@3.9765873 3.9765873 (603.5341, 1928.0133)(604.53735, 1001.895) 6 602.5272 602.5272@3.9765873 + Melamine 3.9874303 C08737 Melamine [ C3 H6 N6, mfg=75.18, db=75.18, overall=75.18, CAS ID=108-78-1, KEGG ID=C08737, METLIN ID=67157 ] 108-78-1 (127.07286, 20865.158)(128.07216, 2235.268)(129.06615, 927.7675) 30 126.0656 Melamine + Mephentermine 4.0012 C07889 Mephentermine [ C11 H17 N, mfg=99.24, db=99.24, overall=99.24, CAS ID=1212-72-2, KEGG ID=C07889, METLIN ID=43865 ] 1212-72-2 (344.30872, 849.225)(164.14317, 81831.85)(165.14626, 9428.404)(166.15158, 1025.9701)(181.1698, 685.55) 36 163.1359 Mephentermine + 443.3248@3.99669 3.99669 (444.33194, 2682.57)(445.3354, 991.625) 3 443.3248 443.3248@3.99669 + 709.6224@3.99 3.99 (710.6296, 1035.97) 1 709.6224 709.6224@3.99 + 223.085@4.0024114 4.0024114 (224.09218, 7503.914)(225.0974, 1628.8145)(206.0822, 2002.29)(246.07494, 1832.6699) 12 223.085 223.085@4.0024114 + 763.5178@4.003007 4.003007 (764.53015, 1777.2955)(765.5335, 1129.339)(766.53436, 1475.7433)(786.5071, 768.33496) 9 763.5178 763.5178@4.003007 + 574.495@4.0065103 4.0065103 (575.5021, 1587.7762)(576.5039, 959.7466)(577.5173, 1612.78) 8 574.495 574.495@4.0065103 + 426.3614@4.001598 4.001598 (427.36865, 2292.4934)(428.3723, 944.8467)(429.3705, 757.43)(444.39716, 886.15) 3 426.3614 426.3614@4.001598 + 768.4921@3.994 3.994 (769.4991, 2040.45)(770.5043, 819.45)(771.5117, 1068.57)(772.5191, 332.33)(791.4828, 950.09) 1 768.4921 768.4921@3.994 + C29 H38 Cl N6 O2 3.9323618 [ C29 H38 Cl N6 O2, mfg=88.12, overall=88.12 ] (1075.5519, 6487.8267)(1076.5548, 4032.2698)(1077.5568, 1785.31)(1078.5529, 1238.29)(1097.5325, 2140.2334)(1098.537, 1574.3334)(1099.5396, 1007.56)(538.281, 7355.0376)(539.2841, 2959.6946)(540.28357, 3439.65)(541.2872, 802.04)(560.26215, 3122.0583)(561.26605, 2686.3625)(562.2656, 1146.7633) 19 537.2729 C29 H38 Cl N6 O2 + 485.4224@3.9768193 3.9768193 (486.42984, 2871.336)(487.4335, 1272.3801)(488.4339, 871.85) 5 485.4224 485.4224@3.9768193 + 169.0845@4.0155044 4.0155044 (170.09207, 8617.201)(171.09766, 2054.795) 7 169.0845 169.0845@4.0155044 + 429.3085@4.0098586 4.0098586 (876.66034, 1096.4299)(877.6667, 764.07)(430.31583, 2691.7046)(431.31937, 1055.2488) 19 429.3085 429.3085@4.0098586 + 371.3394@4.006 4.006 (372.3467, 4748.69)(373.3506, 1220.84) 1 371.3394 371.3394@4.006 + 530.3027@4.018646 4.018646 (531.31, 3986.6267)(532.31415, 1477.0465) 3 530.3027 530.3027@4.018646 + 397.3915@4.012 4.012 (398.3988, 1061.61) 1 397.3915 397.3915@4.012 + 297.3394@4.0256505 4.0256505 (298.34644, 7497.2354)(299.34955, 1907.918) 10 297.3394 297.3394@4.0256505 + 469.8454@3.9713185 3.9713185 (470.8535, 1797.6671) 7 469.8454 469.8454@3.9713185 + C12 H27 N O 4.035202 [ C12 H27 N O, mfg=85.11, overall=85.11 ] (202.2166, 7072.3276)(203.2201, 1168.0594)(224.1964, 848.05) 36 201.2093 C12 H27 N O + 398.3295@4.0313387 4.0313387 (399.3374, 3755.993)(400.34067, 1405.4335)(401.3428, 826.8) 7 398.3295 398.3295@4.0313387 + 265.204@4.046951 4.046951 (266.21115, 2389.4026)(267.20975, 852.89996)(268.2161, 575.37) 12 265.204 265.204@4.046951 + C24 H49 N O2 4.044906 [ C24 H49 N O2, mfg=80.42, overall=80.42 ] (384.38278, 5386.1987)(385.38583, 1778.673)(386.3904, 789.88) 35 383.3755 C24 H49 N O2 + 468.0486@4.0459995 4.0459995 (469.0558, 2240.11)(470.0579, 595.46)(491.0386, 1632.35)(492.0392, 593.1) 2 468.0486 468.0486@4.0459995 + C6 H9 N O3 S 4.039614 [ C6 H9 N O3 S, mfg=85.06, overall=85.06 ] (176.03749, 12412.044)(177.04135, 1475.245)(178.0372, 1201.341)(193.062, 893.35) 28 175.0302 C6 H9 N O3 S + C7 H13 N O3 S2 4.0395155 [ C7 H13 N O3 S2, mfg=87.40, overall=87.40 ] (469.05542, 1509.605)(470.0611, 642.12)(224.04114, 8760.818)(225.04483, 1304.7938)(226.03836, 1330.3566)(241.06674, 775.08496)(246.02316, 4767.7256)(247.02612, 1318.19)(248.01894, 1094.3834) 23 223.0339 C7 H13 N O3 S2 + C12 H11 O S3 4.0395265 [ C12 H11 O S3, mfg=97.18, overall=97.18 ] (268.00482, 4666.1924)(269.0082, 773.92505)(270.00143, 685.69) 20 266.9974 C12 H11 O S3 + 512.012@4.036 4.036 (513.0193, 1402.79) 1 512.012 512.012@4.036 + 133.0196@4.0387635 4.0387635 (134.02695, 5844.057)(135.0303, 793.67505) 14 133.0196 133.0196@4.0387635 + 253.2409@4.047028 4.047028 (254.24796, 2418.7363)(255.2508, 744.5) 8 253.2409 253.2409@4.047028 + 198.0566@4.0460463 4.0460463 (199.06422, 4229.9824)(200.06818, 1157.9434)(201.06985, 620.49)(216.0925, 737.58)(221.04666, 1348.7341) 12 198.0566 198.0566@4.0460463 + 381.3601@4.049725 4.049725 (382.36734, 2510.6587)(383.37, 1125.8481) 15 381.3601 381.3601@4.049725 + C25 H45 N 4.043107 [ C25 H45 N, mfg=90.69, overall=90.69 ] (360.36188, 14903.982)(361.3653, 4590.0117)(362.36703, 1403.1134) 29 359.3547 C25 H45 N + 258.2472@4.045103 4.045103 (259.25424, 1453.642)(260.2578, 771.73) 5 258.2472 258.2472@4.045103 + 551.4168@4.0638857 4.0638857 (552.4243, 1709.61)(553.42664, 936.93494) 5 551.4168 551.4168@4.0638857 + 369.3605@4.064465 4.064465 (370.36758, 1857.96)(371.3711, 876.04004) 3 369.3605 369.3605@4.064465 + C13 H29 N O7 4.0662994 [ C13 H29 N O7, mfg=96.01, overall=96.01 ] (312.20203, 23387.238)(313.20587, 3903.181)(314.20966, 1084.561) 36 311.1949 C13 H29 N O7 + C15 H6 Cl 4.065626 [ C15 H6 Cl, mfg=67.96, overall=67.96 ] (222.0219, 7208.1895)(223.02484, 1550.4199)(224.01654, 1868.76) 25 221.0146 C15 H6 Cl + 337.2096@4.0810447 4.0810447 (338.21573, 2975.8274)(339.2201, 1049.815)(340.2048, 752.95) 4 337.2096 337.2096@4.0810447 + 677.5577@4.0638866 4.0638866 (678.5656, 1771.77)(679.5692, 856.79504) 2 677.5577 677.5577@4.0638866 + C37 H63 N2 O5 S2 4.0782604 [ C37 H63 N2 O5 S2, mfg=90.34, overall=90.34 ] (680.4246, 12766.9375)(681.4276, 5102.339)(682.42816, 2247.4836)(683.4263, 1436.092)(684.424, 448.1)(662.4132, 559.24) 27 679.4176 C37 H63 N2 O5 S2 + Guazatine 4.0853767 C10997 Guazatine [ C18 H41 N7, mfg=66.59, db=66.48, overall=66.54, CAS ID=13516-27-3, KEGG ID=C10997, METLIN ID=68758 ] 13516-27-3 (356.35178, 9030.125)(357.35516, 2496.5671)(338.3425, 835.67) 33 355.3446 Guazatine + 692.1614@4.0789967 4.0789967 (693.1686, 1982.0881)(694.1709, 820.7334) 5 692.1614 692.1614@4.0789967 + 7-Methylguanine 4.086957 C02242 7-Methylguanine [ C6 H7 N5 O, mfg=87.11, db=87.11, overall=87.11, CAS ID=578-76-7, KEGG ID=C02242, HMP ID=HMDB00897, METLIN ID=58012 ] 578-76-7 (331.1373, 881.11005)(353.1234, 950.54)(166.07251, 79442.6)(167.07747, 6993.124)(168.0678, 1932.525)(183.0994, 1678.12)(188.05525, 1422.1294)(189.0667, 411.01) 37 165.0653 7-Methylguanine HMDB00897 + 239.2252@4.086113 4.086113 (240.23206, 1769.1567) 6 239.2252 239.2252@4.086113 + C23 H41 N 4.093137 [ C23 H41 N, mfg=99.25, overall=99.25 ] (332.33087, 49317.605)(333.33398, 12854.899)(334.3374, 2034.5122)(335.3413, 348.54) 27 331.3236 C23 H41 N + C4 H7 N3 O2 4.096045 [ C4 H7 N3 O2, mfg=81.35, overall=81.35 ] (130.06088, 12225.323)(131.06384, 1152.403)(152.04265, 1000.0751) 24 129.0536 C4 H7 N3 O2 + 672.815@4.0950146 4.0950146 (673.8217, 2160.2156)(674.8254, 1245.97) 9 672.815 672.815@4.0950146 + 1035.7635@4.0949893 4.0949893 (1036.7706, 5743.3926)(1037.7739, 3509.292)(1038.7765, 1529.6693)(1039.7789, 835.275) 18 1035.7635 1035.7635@4.0949893 + 526.3956@4.0976334 4.0976334 (527.40295, 75082.93)(528.4059, 16626.844)(529.4089, 1464.4443) 10 526.3956 526.3956@4.0976334 + 526.8972@4.095713 4.095713 (527.9045, 40504.06)(528.9065, 3937.306) 12 526.8972 526.8972@4.095713 + 341.329@4.0956264 4.0956264 (342.33627, 2355.4358)(343.33868, 870.07715) 17 341.329 341.329@4.0956264 + C19 H33 N O4 4.1018815 [ C19 H33 N O4, mfg=92.62, overall=92.62 ] (340.24805, 12168.804)(341.25177, 2940.091)(342.25443, 1010.14105) 37 339.2407 C19 H33 N O4 + C40 H75 N O S2 4.103692 [ C40 H75 N O S2, mfg=76.78, overall=76.78 ] (650.5349, 2875.4043)(651.5378, 1410.4274)(652.5439, 887.5433) 25 649.5278 C40 H75 N O S2 + N,N-dimethylsphing-4-enine + 4.1255655 4.1255655 C13914 N,N-dimethylsphing-4-enine [ C20 H41 N O2, mfg=74.73, db=74.72, overall=74.73, KEGG ID=C13914, METLIN ID=41563 ] (328.32043, 5208.606)(329.32385, 1447.3209)(330.32437, 784.12805) 36 327.3132 N,N-dimethylsphing-4-enine + 4.1255655 + 339.349@4.116 4.116 (340.3563, 2167.42) 1 339.349 339.349@4.116 + 621.4967@4.104124 4.104124 (622.5029, 1801.4661)(623.50586, 1224.89) 5 621.4967 621.4967@4.104124 + C21 H37 N 4.13787 [ C21 H37 N, mfg=92.94, overall=92.94 ] (304.29974, 24720.072)(305.3027, 6234.39)(306.30225, 1488.9546) 35 303.2923 C21 H37 N + 1007.7322@4.1441016 4.1441016 (1008.7398, 5189.154)(1009.7427, 2953.9043)(1010.74585, 1490.1895)(1011.74774, 701.8633) 27 1007.7322 1007.7322@4.1441016 + C25 H54 N O9 4.1423244 [ C25 H54 N O9, mfg=92.22, overall=92.22 ] (513.38696, 44254.8)(514.39014, 9604.905)(515.39246, 1187.0265) 25 512.3798 C25 H54 N O9 + C15 H N2 O15 S2 4.1426716 [ C15 H N2 O15 S2, mfg=58.27, overall=58.27 ] (513.8886, 25916.457)(514.88934, 2419.954) 26 512.8814 C15 H N2 O15 S2 + 313.2976@4.1376166 4.1376166 (314.30447, 2160.5618)(315.30588, 948.31006) 6 313.2976 313.2976@4.1376166 + l-Methamphetamine 4.148058 C07164 l-Methamphetamine [ C10 H15 N, mfg=99.72, db=99.72, overall=99.72, CAS ID=33817-09-3, KEGG ID=C07164, METLIN ID=2404 ] 33817-09-3 (150.12762, 957252.1)(151.13103, 115037.15)(152.13458, 6389.3433)(153.138, 766.56) 36 149.1203 l-Methamphetamine + 236.0805@4.1644454 4.1644454 (237.08762, 6615.614)(238.09549, 977.4477)(239.09036, 744.224)(219.0767, 6239.81)(220.0793, 1540.8) 15 236.0805 236.0805@4.1644454 + 635.5093@4.156 4.156 (636.5166, 1056.55) 1 635.5093 635.5093@4.156 + C12 H27 N 4.1721735 [ C12 H27 N, mfg=99.72, overall=99.72 ] (186.22153, 74118.96)(187.22508, 10437.905)(188.22845, 876.4138) 37 185.2142 C12 H27 N + Sphingosine 4.1568027 C00319 Sphingosine [ C18 H37 N O2, mfg=69.36, db=69.28, overall=69.32, CAS ID=123-78-4, Lipid ID=LMSP01010001, KEGG ID=C00319, HMP ID=HMDB00252, METLIN ID=392 ] 123-78-4 (300.28925, 3242.5647)(301.29272, 1014.84985)(282.2786, 685.36)(322.2713, 617.09) 13 299.2819 Sphingosine HMDB00252 + LMSP01010001 C20 H43 N 4.1785235 [ C20 H43 N, mfg=88.37, overall=88.37 ] (298.34628, 18435.184)(299.34967, 4421.0024)(300.3533, 1732.6566) 28 297.3391 C20 H43 N + C3 H10 N3 O6 4.180891 [ C3 H10 N3 O6, mfg=61.32, overall=61.32 ] (185.0647, 8234.27)(186.06445, 1191.2849)(202.0876, 929.95) 26 184.0572 C3 H10 N3 O6 + C22 H45 N O3 + 4.1897645 4.1897645 [ C22 H45 N O3, mfg=79.08, overall=79.08 ] (372.34662, 16081.595)(373.35025, 4709.128)(354.3357, 923.08) 28 371.3395 C22 H45 N O3 + 4.1897645 + 5-O-?-D-Mycaminosyltylactone 4.1915216 C12001 5-O-?-D-Mycaminosyltylactone [ C31 H53 N O8, mfg=89.53, db=89.46, overall=89.50, CAS ID=, KEGG ID=C12001, METLIN ID=63716 ] (568.3846, 4718.405)(569.38763, 1987.144)(570.3906, 702.9525) 37 567.3769 5-O-?-D-Mycaminosyltylactone + Istamycin C1 4.1909657 C17996 Istamycin C1 [ C19 H37 N5 O6, mfg=92.42, db=92.40, overall=92.41, KEGG ID=C17996, METLIN ID=71992 ] (432.27988, 54556.82)(433.2835, 11943.421)(434.28638, 2619.1785)(435.29074, 915.85565) 36 431.2726 Istamycin C1 + C20 H35 N O5 4.1941385 [ C20 H35 N O5, mfg=98.12, overall=98.12 ] (370.25867, 80978.16)(371.26175, 18084.902)(372.26132, 3713.717)(373.26556, 553.4457) 37 369.2513 C20 H35 N O5 + 621.4961@4.1946783 4.1946783 (622.50305, 2292.158)(623.5062, 1119.36)(624.4915, 717.35)(644.4851, 873.3) 22 621.4961 621.4961@4.1946783 + C25 H50 N2 O2 4.192768 [ C25 H50 N2 O2, mfg=76.22, overall=76.22 ] (411.39392, 4020.7854)(412.3984, 1583.6534)(413.3993, 714.55) 31 410.3869 C25 H50 N2 O2 + 367.4174@4.210986 4.210986 (368.42468, 9232.384)(369.42786, 3116.0178)(370.4309, 1102.7) 27 367.4174 367.4174@4.210986 + 765.2116@4.195 4.195 (766.2189, 1099.28) 1 765.2116 765.2116@4.195 + 327.3497@4.206519 4.206519 (328.35672, 2879.6216)(329.36002, 1081.6371) 13 327.3497 327.3497@4.206519 + 648.7949@4.200623 4.200623 (649.802, 1882.0049)(650.8041, 933.01) 6 648.7949 648.7949@4.200623 + 1-methylhistidine 4.2162795 C01152 1-methylhistidine [ C7 H11 N3 O2, mfg=60.53, db=60.52, overall=60.52, CAS ID=332-80-9, KEGG ID=C01152, HMP ID=HMDB00001, METLIN ID=3741 ] 332-80-9 (339.1788, 702.02)(170.09229, 10632.131)(171.09872, 1760.7837)(172.09839, 1773.5219)(192.0747, 898.515) 28 169.0849 1-methylhistidine HMDB00001 + 537.3663@4.2207932 4.2207932 (538.37396, 2935.7754)(539.37634, 1397.059)(540.3822, 1035.3625)(555.39935, 585.27) 23 537.3663 537.3663@4.2207932 + 385.3901@4.2252793 4.2252793 (386.3978, 2113.866)(387.40128, 1014.255)(388.3941, 2060.9) 10 385.3901 385.3901@4.2252793 + D-Proline + 4.22679 4.22679 C00763 D-Proline [ C5 H9 N O2, mfg=86.92, db=86.92, overall=86.92, CAS ID=344-25-2, KEGG ID=C00763, HMP ID=HMDB03411, METLIN ID=58150 ] 344-25-2 (116.07036, 21892.92)(117.072685, 1305.9382)(98.0603, 2116.4) 31 115.063 D-Proline + 4.22679 HMDB03411 + 230.163@4.224277 4.224277 (231.17027, 3486.0515)(232.17265, 1063.6329) 22 230.163 230.163@4.224277 + 339.3855@4.2361097 4.2361097 (340.39304, 3346.698)(341.3969, 1111.0314) 14 339.3855 339.3855@4.2361097 + C16 H33 N O2 4.22552 [ C16 H33 N O2, mfg=78.73, overall=78.73 ] (272.2582, 9007.058)(273.2612, 1976.0591)(274.2571, 746.05) 37 271.2508 C16 H33 N O2 + 405.995@4.224003 4.224003 (407.002, 1522.0438)(408.0036, 1173.37)(428.98398, 1064.5114) 8 405.995 405.995@4.224003 + 343.3083@4.231048 4.231048 (344.3156, 5578.8174)(345.3186, 1466.7535)(346.31387, 2109.1548) 23 343.3083 343.3083@4.231048 + Cytosine + 4.227604 4.227604 C00380 Cytosine [ C4 H5 N3 O, mfg=92.09, db=92.09, overall=92.09, CAS ID=71-30-7, KEGG ID=C00380, HMP ID=HMDB00630, METLIN ID=283 ] 71-30-7 (112.0505, 139124.64)(113.054855, 7612.0176)(114.06383, 2637.75) 36 111.0433 Cytosine + 4.227604 HMDB00630 + Cytidine 4.228518 C00475 Cytidine [ C9 H13 N3 O5, mfg=99.54, db=99.54, overall=99.54, CAS ID=65-46-3, KEGG ID=C00475, HMP ID=HMDB00089, METLIN ID=3376 ] 65-46-3 (487.17795, 94458.43)(488.1809, 20052.467)(489.1832, 4947.6753)(490.1858, 1499.0112)(509.15988, 5955.839)(510.16287, 2278.1543)(511.16516, 1265.3)(244.09296, 182151.36)(245.09604, 19551.34)(246.09904, 3042.2898)(247.10194, 485.94254)(266.0748, 38438.887)(267.07843, 4343.4663)(268.08136, 980.1681) 36 243.0857 Cytidine HMDB00089 + 323.0256@4.2288594 4.2288594 (324.03305, 3603.217)(325.0363, 1089.0734)(326.03104, 1603.8434) 23 323.0256 323.0256@4.2288594 + C12 H15 N9 O 4.2300487 [ C12 H15 N9 O, mfg=64.99, overall=64.99 ] (302.14615, 5121.337)(303.15094, 1330.103) 22 301.1386 C12 H15 N9 O + d-Dethiobiotin 4.23153 C01909 d-Dethiobiotin [ C10 H18 N2 O3, mfg=66.55, db=66.55, overall=66.55, CAS ID=533-48-2, KEGG ID=C01909, HMP ID=HMDB03581, METLIN ID=3351 ] 533-48-2 (215.13887, 9305.278)(216.13898, 1873.1499)(217.146, 1093.09)(232.1663, 1248.03)(237.1244, 1053.0) 19 214.1316 d-Dethiobiotin HMDB03581 + 566.1115@4.2218065 4.2218065 (567.11847, 2679.366)(568.1206, 840.47003)(569.116, 1021.4634) 5 566.1115 566.1115@4.2218065 + 579.3779@4.228629 4.228629 (580.3841, 2620.5662)(581.3876, 1204.1635) 16 579.3779 579.3779@4.228629 + C20 H43 N O 4.2330213 [ C20 H43 N O, mfg=95.57, overall=95.57 ] (314.3413, 22006.38)(315.3448, 5095.7954)(316.34564, 1261.5504) 37 313.334 C20 H43 N O + 244.223@4.2347803 4.2347803 (245.23016, 3802.8225)(246.23155, 1121.6799) 4 244.223 244.223@4.2347803 + 225.2089@4.232404 4.232404 (226.21631, 7293.83)(227.2188, 1524.2319)(248.1972, 667.7) 11 225.2089 225.2089@4.232404 + 521.3333@4.241827 4.241827 (522.3407, 4878.81)(523.3461, 1807.88) 2 521.3333 521.3333@4.241827 + C20 H24 N4 O6 S 4.2329383 [ C20 H24 N4 O6 S, mfg=89.68, overall=89.68 ] (449.14862, 2594.3728)(450.15228, 925.16003)(466.17505, 6678.8926)(467.1787, 1663.2369)(468.1819, 703.4)(471.12997, 1162.9178) 32 448.1413 C20 H24 N4 O6 S + 408.3701@4.2443666 4.2443666 (409.37775, 2013.068)(410.38257, 989.39667) 5 408.3701 408.3701@4.2443666 + C20 H45 N4 O2 4.233754 [ C20 H45 N4 O2, mfg=89.29, overall=89.29 ] (374.36215, 13108.386)(375.36526, 3732.86)(376.36484, 1052.3934) 31 373.3551 C20 H45 N4 O2 + 382.3559@4.261459 4.261459 (383.3644, 2088.7217)(384.3757, 665.19995) 6 382.3559 382.3559@4.261459 + 301.2388@4.234 4.234 (302.2461, 3568.95)(303.2496, 1018.54) 1 301.2388 301.2388@4.234 + 381.2512@4.238652 4.238652 (382.25885, 3205.331)(383.2623, 1058.83)(384.2703, 764.13) 9 381.2512 381.2512@4.238652 + C24 H43 N S2 4.2443323 [ C24 H43 N S2, mfg=81.71, overall=81.71 ] (410.28967, 3838.6897)(411.29352, 1305.274)(412.29688, 696.48) 29 409.2824 C24 H43 N S2 + C31 H59 N4 S2 4.249789 [ C31 H59 N4 S2, mfg=75.40, overall=75.40 ] (1125.825, 671.24)(552.42523, 3392.223)(553.4259, 1560.2869)(554.4308, 888.99) 27 551.4184 C31 H59 N4 S2 + C18 H31 N O5 4.2465935 [ C18 H31 N O5, mfg=94.16, overall=94.16 ] (342.22742, 83867.445)(343.23047, 16790.781)(344.22897, 4855.564)(345.2323, 752.76) 37 341.22 C18 H31 N O5 + C22 H47 N O2 4.252826 [ C22 H47 N O2, mfg=99.49, overall=99.49 ] (358.36795, 375074.97)(359.37103, 94780.17)(360.37204, 13145.828)(361.37177, 1528.6814) 37 357.3607 C22 H47 N O2 + 401.3671@4.2517886 4.2517886 (402.37335, 8268.084)(403.3755, 2058.6426)(404.37793, 955.9634) 8 401.3671 401.3671@4.2517886 + 565.4347@4.2648892 4.2648892 (566.44147, 1534.78)(567.44446, 763.33496) 5 565.4347 565.4347@4.2648892 + 399.262@4.2549367 4.2549367 (400.26886, 2998.003)(401.27304, 1057.4806)(402.2767, 656.69)(382.2588, 3549.42)(383.2626, 1173.45) 17 399.262 399.262@4.2549367 + C13 H29 N4 O + 4.2579527 4.2579527 [ C13 H29 N4 O, mfg=79.49, overall=79.49 ] (258.24246, 10544.44)(259.24573, 1987.3705)(260.23413, 805.145)(280.22662, 817.145) 37 257.2352 C13 H29 N4 O + 4.2579527 + 397.3163@4.2522163 4.2522163 (398.32407, 1395.6133)(399.3315, 801.32) 3 397.3163 397.3163@4.2522163 + 548.4088@4.264088 4.264088 (549.416, 73297.055)(550.419, 16384.615)(551.41974, 1567.5243)(566.4417, 2016.29)(567.4451, 1061.1566) 14 548.4088 548.4088@4.264088 + 548.9103@4.26132 4.26132 (549.91766, 60678.73)(550.9203, 8864.052)(551.9199, 756.995) 8 548.9103 548.9103@4.26132 + C16 H39 N7 O2 S 4.2610025 [ C16 H39 N7 O2 S, mfg=91.73, overall=91.73 ] (394.29495, 23614.877)(395.29813, 6285.213)(396.29495, 1603.5857) 37 393.2876 C16 H39 N7 O2 S + 1079.789@4.266391 4.266391 (1080.7964, 4741.141)(1081.8005, 3297.5474)(1082.8032, 1304.808)(1083.8073, 386.84) 16 1079.789 1079.789@4.266391 + 443.3969@4.267499 4.267499 (444.40332, 6360.3916)(445.40723, 2992.3867)(446.4093, 1441.36) 5 443.3969 443.3969@4.267499 + C20 H35 N O4 4.2677207 [ C20 H35 N O4, mfg=98.68, overall=98.68 ] (354.26358, 47280.527)(355.26688, 11419.275)(356.27063, 2219.1787) 37 353.2562 C20 H35 N O4 + C17 H37 N O 4.263228 [ C17 H37 N O, mfg=78.38, overall=78.38 ] (565.5678, 724.32)(272.29456, 4331.384)(273.29773, 1105.4478) 27 271.2872 C17 H37 N O + C19 H41 N O2 4.261185 [ C19 H41 N O2, mfg=82.87, overall=82.87 ] (316.3205, 9673.736)(317.3239, 2351.614) 22 315.3133 C19 H41 N O2 + 287.2251@4.2694664 4.2694664 (288.23206, 4711.6797)(289.23413, 1535.4366) 4 287.2251 287.2251@4.2694664 + 341.3649@4.265 4.265 (342.3722, 3169.45)(343.375, 1174.94) 1 341.3649 341.3649@4.265 + 343.3448@4.2731676 4.2731676 (344.35156, 2020.2792)(345.35513, 1061.9233) 14 343.3448 343.3448@4.2731676 + 251.2358@4.267 4.267 (252.2431, 1473.61) 1 251.2358 251.2358@4.267 + 315.2772@4.2701387 4.2701387 (316.28424, 8001.301)(317.28705, 2131.965)(318.2885, 1036.5) 5 315.2772 315.2772@4.2701387 + 2S-amino-tridecanoic acid 4.27988 C13795 2S-amino-tridecanoic acid [ C13 H27 N O2, mfg=83.90, db=83.87, overall=83.89, KEGG ID=C13795, METLIN ID=35920 ] (230.21144, 8743.763)(231.21442, 1592.0964)(212.2006, 5410.1367)(213.20312, 1100.4309) 34 229.204 2S-amino-tridecanoic acid + 227.2611@4.2850976 4.2850976 (228.2683, 10382.025)(229.27179, 2174.9033) 22 227.2611 227.2611@4.2850976 + C20 H43 N O2 4.2941093 [ C20 H43 N O2, mfg=47.47, overall=47.47 ] (330.33618, 12379.632)(331.33948, 2833.236)(332.33087, 7304.205)(312.3263, 706.58) 37 329.3291 C20 H43 N O2 + C14 H29 N O2 4.2764974 [ C14 H29 N O2, mfg=79.72, overall=79.72 ] (244.2268, 9424.297)(245.2297, 1852.7823)(246.22314, 608.725)(226.21623, 8103.3853)(227.21907, 1805.9468) 35 243.2197 C14 H29 N O2 + Pumiliotoxin A 4.295532 C20033 Pumiliotoxin A [ C19 H33 N O2, mfg=73.56, db=73.45, overall=73.51, CAS ID=67054-00-6, KEGG ID=C20033, METLIN ID=73518 ] 67054-00-6 (308.259, 4308.5083)(309.26132, 1261.0089) 28 307.2512 Pumiliotoxin A + 171.1982@4.358289 4.358289 (172.2057, 4189.9893)(173.20929, 854.48376) 13 171.1982 171.1982@4.358289 + 495.2616@4.292 4.292 (496.2689, 1703.64)(497.2721, 564.17) 1 495.2616 495.2616@4.292 + 415.3653@4.2942324 4.2942324 (416.37238, 16922.78)(417.3754, 4635.815)(418.377, 1842.96) 2 415.3653 415.3653@4.2942324 + 283.3237@4.3038855 4.3038855 (284.33087, 26594.744)(285.33408, 6038.528)(286.33563, 2102.4065) 12 283.3237 283.3237@4.3038855 + 598.5269@4.305395 4.305395 (599.5343, 1648.275)(600.5359, 886.58496) 2 598.5269 598.5269@4.305395 + C22 H39 N S2 4.306388 [ C22 H39 N S2, mfg=87.06, overall=87.06 ] (382.2585, 5762.1006)(383.26245, 1548.4652)(384.26505, 834.5929)(399.2849, 684.62) 32 381.2511 C22 H39 N S2 + 470.1758@4.312896 4.312896 (471.18298, 4819.786)(472.1864, 1469.749) 13 470.1758 470.1758@4.312896 + 541.434@4.297092 4.297092 (542.4411, 74208.87)(543.4439, 26361.193)(544.4475, 15753.68)(545.4509, 2301.32) 3 541.434 541.434@4.297092 + C39 H67 N2 O6 S2 4.3124404 [ C39 H67 N2 O6 S2, mfg=92.21, overall=92.21 ] (724.4504, 8509.011)(725.4535, 3715.66)(726.45465, 1919.7025)(727.4547, 968.45) 29 723.4436 C39 H67 N2 O6 S2 + 397.2821@4.3055577 4.3055577 (398.28952, 2584.6106)(399.29025, 986.0032)(400.28796, 924.455)(415.3207, 1065.29) 17 397.2821 397.2821@4.3055577 + 1051.7584@4.316585 4.316585 (1052.7656, 4146.295)(1053.7693, 2630.09)(1054.7716, 1302.9634)(1055.7751, 839.115) 27 1051.7584 1051.7584@4.316585 + C15 H3 O20 S 4.310155 [ C15 H3 O20 S, mfg=79.11, overall=79.11 ] (535.90173, 32031.047)(536.90393, 3287.417)(537.8915, 831.32) 25 534.8946 C15 H3 O20 S + C16 H44 N19 O2 4.310916 [ C16 H44 N19 O2, mfg=97.52, overall=97.52 ] (535.4002, 54169.387)(536.403, 12447.491)(537.4024, 1225.1016)(552.4241, 894.45) 24 534.3931 C16 H44 N19 O2 + C26 H20 N5 O3 4.3093863 [ C26 H20 N5 O3, mfg=78.66, overall=78.66 ] (451.16406, 3854.8796)(452.16614, 1278.8131)(468.19046, 1608.9546)(469.1957, 818.26)(473.14572, 1239.5079) 30 450.1566 C26 H20 N5 O3 + 133.0253@4.311915 4.311915 (134.03242, 3141.1565) 3 133.0253 133.0253@4.311915 + C13 H18 N6 O5 4.308866 [ C13 H18 N6 O5, mfg=92.70, overall=92.70 ] (339.141, 48475.07)(340.14398, 8381.655)(341.15088, 2669.7407)(342.1543, 648.25)(361.1228, 1276.45) 35 338.1336 C13 H18 N6 O5 + 498.1879@4.31193 4.31193 (499.1954, 5705.1265)(500.19904, 1503.7762) 24 498.1879 498.1879@4.31193 + Cytosine + 4.314314 4.314314 C00380 Cytosine [ C4 H5 N3 O, mfg=97.95, db=97.95, overall=97.95, CAS ID=71-30-7, KEGG ID=C00380, HMP ID=HMDB00630, METLIN ID=283 ] 71-30-7 (223.0942, 12430.339)(224.09886, 2124.9944)(240.1191, 700.48)(112.050545, 372519.12)(113.05413, 19272.135)(114.06438, 2204.895)(134.03223, 3690.378) 37 111.0432 Cytosine + 4.314314 HMDB00630 + Deoxycytidine 4.3147187 C00881 Deoxycytidine [ C9 H13 N3 O4, mfg=99.62, db=99.40, overall=99.51, CAS ID=951-77-9, KEGG ID=C00881, HMP ID=HMDB00014, METLIN ID=3367 ] 951-77-9 (455.1881, 132014.53)(456.1912, 29122.363)(457.19342, 5195.2603)(458.19568, 1080.8868)(477.1699, 1261.3984)(228.09805, 83982.79)(229.10123, 9809.879)(230.10417, 1570.0137)(245.12485, 888.72)(250.07971, 19013.25)(251.08351, 2240.3977)(252.08676, 622.85) 37 227.0905 Deoxycytidine HMDB00014 + C17 H11 N4 4.3116426 [ C17 H11 N4, mfg=73.84, overall=73.84 ] (272.1053, 3514.355)(273.11133, 869.3641)(294.08716, 780.01) 23 271.0978 C17 H11 N4 + 291.2207@4.306 4.306 (292.2271, 1033.3)(274.2178, 3363.13)(275.2207, 894.32) 1 291.2207 291.2207@4.306 + C17 H21 N2 S 4.3167434 [ C17 H21 N2 S, mfg=91.40, overall=91.40 ] (286.15082, 16902.193)(287.1541, 3197.0242)(288.1536, 950.7949) 37 285.1436 C17 H21 N2 S + C19 H41 N O2 + 4.316306 4.316306 [ C19 H41 N O2, mfg=96.27, overall=96.27 ] (316.32074, 15881.375)(317.324, 3546.43)(318.32547, 919.7937) 36 315.3134 C19 H41 N O2 + 4.316306 + Erythrohydrobupropion 4.3161874 Erythrohydrobupropion [ C13 H20 Cl N O, mfg=82.83, db=82.69, overall=82.76, HMP ID=HMDB12227, METLIN ID=62874 ] (242.13097, 4861.6655)(243.13434, 1227.375)(244.12773, 1994.3773) 24 241.1238 Erythrohydrobupropion HMDB12227 + C15 H33 N O 4.3172283 [ C15 H33 N O, mfg=84.12, overall=84.12 ] (244.26318, 8307.587)(245.2666, 1673.5061) 32 243.2558 C15 H33 N O + C21 H35 N O4 4.318095 [ C21 H35 N O4, mfg=96.47, overall=96.47 ] (731.5211, 935.92)(366.2634, 20724.172)(367.26675, 5337.2666)(368.27094, 1322.2815) 33 365.2561 C21 H35 N O4 + Taurohyocholic acid + 4.3186736 4.3186736 C15516 Taurohyocholic acid [ C26 H45 N O7 S, mfg=92.64, db=91.95, overall=92.30, Lipid ID=LMST05040010, KEGG ID=C15516, METLIN ID=57996 ] (1031.5898, 25669.084)(1032.5928, 15620.742)(1033.594, 8134.5737)(1034.5946, 3369.2422)(1035.594, 1323.5767)(1053.5721, 13145.003)(1054.5752, 8036.1206)(1055.576, 4132.0234)(1056.5765, 1648.5898)(1057.5736, 1018.05)(516.29895, 48027.953)(517.303, 14858.049)(518.3042, 6293.4995)(519.3041, 2400.0916)(498.28793, 12455.925)(499.29822, 8336.978)(500.2936, 2368.37)(501.2956, 1211.2)(533.3255, 21155.4)(534.3291, 9113.056)(535.3321, 4348.2686)(536.3332, 2822.24)(538.2807, 16204.086)(539.28394, 5406.4907)(540.28345, 2708.0022)(541.286, 723.6967) 19 515.2916 Taurohyocholic acid + 4.3186736 + LMST05040010 Palmitic Acid methyl ester 4.325129 C16995 Palmitic Acid methyl ester [ C17 H34 O2, mfg=47.34, db=95.93, overall=71.64, CAS ID=112-39-0, KEGG ID=C16995, METLIN ID=44858 ] 112-39-0 (288.28943, 16903.34)(289.29257, 3619.9526)(290.2947, 909.8) 21 287.2822 Palmitic Acid methyl ester + N-(3-hydroxy-7Z-tetradecenoyl)-homoserine lactone 4.3255677 C11845 N-(3-hydroxy-7Z-tetradecenoyl)-homoserine lactone [ C18 H31 N O4, mfg=97.11, db=97.10, overall=97.11, KEGG ID=C11845, METLIN ID=36737 ] (326.23224, 26545.518)(327.23563, 6165.817)(328.23743, 1264.3419) 37 325.2248 N-(3-hydroxy-7Z-tetradecenoyl)-homoserine lactone + 441.3436@4.3269167 4.3269167 (442.35074, 2668.7703)(443.3547, 1015.6084) 6 441.3436 441.3436@4.3269167 + 287.2456@4.328615 4.328615 (288.2528, 7023.542)(289.25543, 1501.5831) 10 287.2456 287.2456@4.328615 + 664.1396@4.322 4.322 (665.1469, 1271.54) 1 664.1396 664.1396@4.322 + 358.224@4.33 4.33 (359.2313, 3796.15)(360.2307, 1896.51) 1 358.224 358.224@4.33 + C9 H18 N2 O3 4.341095 [ C9 H18 N2 O3, mfg=94.20, overall=94.20 ] (203.13878, 39327.574)(204.1429, 4934.579)(205.14006, 1257.6338) 36 202.1315 C9 H18 N2 O3 + C23 H39 N O5 4.3428116 [ C23 H39 N O5, mfg=95.42, overall=95.42 ] (410.28934, 17727.969)(411.29315, 4851.2036)(412.29462, 1346.3628) 37 409.2821 C23 H39 N O5 + C17 H37 N 4.34416 [ C17 H37 N, mfg=82.24, overall=82.24 ] (256.2997, 8262.941)(257.30313, 1952.5706) 37 255.2923 C17 H37 N + Fortimicin FU-10 4.3575306 C17971 Fortimicin FU-10 [ C12 H24 N2 O9, mfg=74.59, db=74.58, overall=74.59, KEGG ID=C17971, METLIN ID=71967 ] (341.15643, 10560.813)(342.16006, 2191.9917)(343.1565, 1175.03)(363.1384, 1408.68) 36 340.1494 Fortimicin FU-10 + 455.2291@4.3552675 4.3552675 (456.23682, 1439.716)(457.2523, 598.43) 5 455.2291 455.2291@4.3552675 + Buspirone + 4.3572464 4.3572464 C06861 Buspirone [ C21 H31 N5 O2, mfg=50.20, db=50.17, overall=50.18, CAS ID=36505-84-7, KEGG ID=C06861, METLIN ID=1449 ] 36505-84-7 (386.25305, 13487.347)(387.25687, 3327.0132)(388.2539, 2814.136)(389.2572, 646.9) 37 385.2459 Buspirone + 4.3572464 + 102.0538@4.3596206 4.3596206 (103.06109, 4672.2095)(104.06915, 946.865) 23 102.0538 102.0538@4.3596206 + C17 H37 N O2 + 4.3667655 4.3667655 [ C17 H37 N O2, mfg=97.39, overall=97.39 ] (288.2897, 17707.424)(289.293, 3596.8071)(290.29385, 832.616) 33 287.2823 C17 H37 N O2 + 4.3667655 + 185.214@4.3682036 4.3682036 (186.2212, 4993.1357)(187.22498, 883.37) 7 185.214 185.214@4.3682036 + 306.0583@4.373709 4.373709 (307.06558, 3649.8545)(329.0485, 1219.61) 9 306.0583 306.0583@4.373709 + Creatinine 4.378695 C00791 Creatinine [ C4 H7 N3 O, mfg=98.83, db=98.83, overall=98.83, CAS ID=60-27-5, KEGG ID=C00791, HMP ID=HMDB00562, METLIN ID=8 ] 60-27-5 (227.12515, 855257.4)(228.12796, 81805.21)(229.13055, 7635.8774)(230.13582, 1059.7991)(249.10724, 25210.473)(250.11032, 2900.1821)(251.1227, 875.34)(114.06597, 3756914.2)(115.06921, 177696.42)(116.07078, 12970.403)(117.07198, 2274.2214)(136.04807, 76374.38)(137.05148, 3965.7183)(138.05602, 614.39996) 37 113.0587 Creatinine HMDB00562 + C3 H7 N3 4.3782434 [ C3 H7 N3, mfg=83.59, overall=83.59 ] (188.16211, 969.75336)(86.07111, 10762.741)(87.07379, 794.1933) 31 85.0639 C3 H7 N3 + C6 H13 N5 O 4.3806915 [ C6 H13 N5 O, mfg=98.88, overall=98.88 ] (343.2285, 778.0)(172.11919, 116918.984)(173.12207, 9837.215)(174.12305, 1195.9724) 37 171.112 C6 H13 N5 O + 151.0145@4.379756 4.379756 (152.02174, 3513.6392)(153.0253, 580.15)(154.0202, 969.51) 10 151.0145 151.0145@4.379756 + 58.0529@4.3802834 4.3802834 (59.06015, 145892.17)(60.062805, 4739.6025) 35 58.0529 58.0529@4.3802834 + 369.2512@4.3816123 4.3816123 (370.25848, 3213.9922)(371.25897, 1286.3931)(372.2656, 532.97) 14 369.2512 369.2512@4.3816123 + 311.2097@4.422255 4.422255 (312.217, 2615.3691)(313.22025, 894.041)(314.217, 943.94) 12 311.2097 311.2097@4.422255 + 509.3716@4.38295 4.38295 (510.3785, 1416.1599)(511.37958, 652.315) 2 509.3716 509.3716@4.38295 + methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate 4.381767 methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate [ C17 H26 O5, mfg=47.48, db=75.19, overall=61.34, METLIN ID=35518 ] (328.21164, 5074.8633)(329.2139, 1304.8413) 22 327.2044 methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate + C11 H15 Cl N3 S2 4.3814483 [ C11 H15 Cl N3 S2, mfg=90.16, overall=90.16 ] (289.04675, 19579.316)(290.04922, 2208.108)(291.0448, 9269.833)(292.04745, 1151.9653) 37 288.0395 C11 H15 Cl N3 S2 + C12 H26 N4 O 4.380879 [ C12 H26 N4 O, mfg=73.22, overall=73.22 ] (243.21783, 5156.679)(244.22336, 1032.6064) 35 242.2108 C12 H26 N4 O + 354.3348@4.3768225 4.3768225 (355.34286, 1621.4071) 7 354.3348 354.3348@4.3768225 + C18 H38 N4 O 4.379984 [ C18 H38 N4 O, mfg=77.06, overall=77.06 ] (327.31128, 2515.1443)(328.31824, 569.7826) 19 326.3041 C18 H38 N4 O + Sphingosine + 4.3871903 4.3871903 C00319 Sphingosine [ C18 H37 N O2, mfg=76.34, db=76.24, overall=76.29, CAS ID=123-78-4, Lipid ID=LMSP01010001, KEGG ID=C00319, HMP ID=HMDB00252, METLIN ID=392 ] 123-78-4 (300.28915, 5326.411)(301.2925, 1445.4354)(282.27832, 1754.8531)(283.2776, 941.02) 24 299.2819 Sphingosine + 4.3871903 HMDB00252 + LMSP01010001 C28 H20 N 4.3870883 [ C28 H20 N, mfg=80.23, overall=80.23 ] (371.16663, 5053.2812)(372.17014, 1288.4216)(393.14914, 853.76337) 29 370.1593 C28 H20 N + 139.0741@4.3666797 4.3666797 (140.0814, 12859.934)(141.08687, 1248.7667) 6 139.0741 139.0741@4.3666797 + C15 H33 N 4.397717 [ C15 H33 N, mfg=87.01, overall=87.01 ] (228.26828, 55205.44)(229.27171, 9507.883) 36 227.261 C15 H33 N + 215.1881@4.3625693 4.3625693 (216.19537, 3259.3567)(217.19568, 1006.81665)(218.18495, 1466.415) 3 215.1881 215.1881@4.3625693 + 401.3852@4.399087 4.399087 (402.39246, 3629.729)(403.39594, 1212.6707) 20 401.3852 401.3852@4.399087 + 399.3704@4.3972583 4.3972583 (400.37784, 12795.429)(401.38092, 3934.214)(402.3864, 4523.1797)(403.3906, 1076.12) 15 399.3704 399.3704@4.3972583 + 397.3549@4.4021354 4.4021354 (398.3622, 5094.3296)(399.365, 2121.0) 12 397.3549 397.3549@4.4021354 + Curacin A 4.417174 C11689 Curacin A [ C23 H35 N O S, mfg=72.15, db=72.09, overall=72.12, CAS ID=155233-30-0, KEGG ID=C11689, METLIN ID=69157 ] 155233-30-0 (374.25342, 6116.8916)(375.257, 1612.0775)(376.2576, 812.978) 35 373.2461 Curacin A + 385.3546@4.413698 4.413698 (386.36157, 9184.665)(387.3655, 3800.23)(388.3584, 1074.7) 2 385.3546 385.3546@4.413698 + 159.1619@4.414424 4.414424 (160.16919, 4449.6904)(161.16847, 893.04926)(142.1582, 1455.26) 16 159.1619 159.1619@4.414424 + 413.3136@4.4189587 4.4189587 (414.32098, 10537.269)(415.32422, 2909.4663)(416.32675, 853.4553)(436.30655, 728.96497) 31 413.3136 413.3136@4.4189587 + C3 H5 N3 O 4.424718 [ C3 H5 N3 O, mfg=47.59, overall=47.59 ] (199.0917, 684.4)(216.1234, 1042.82)(100.05048, 5544.0835)(122.0318, 977.3167) 26 99.0432 C3 H5 N3 O + 570.4218@4.4226027 4.4226027 (571.4291, 97495.766)(572.4322, 23670.453)(573.43567, 2148.1692) 10 570.4218 570.4218@4.4226027 + 570.9234@4.42414 4.42414 (571.93085, 58964.895)(572.93335, 6677.4067)(573.92444, 949.99) 12 570.9234 570.9234@4.42414 + 1123.8156@4.4321036 4.4321036 (1124.8225, 3659.1392)(1125.826, 2670.424)(1126.8285, 1243.0759)(1127.8295, 381.80002) 15 1123.8156 1123.8156@4.4321036 + C22 H39 N S2 + 4.426161 4.426161 [ C22 H39 N S2, mfg=88.16, overall=88.16 ] (382.2584, 8858.292)(383.26218, 2334.5752)(384.2677, 1088.34)(399.2883, 581.02) 36 381.2513 C22 H39 N S2 + 4.426161 + Sphinganine 4.433731 C00836 Sphinganine [ C18 H39 N O2, mfg=38.15, db=29.57, overall=33.86, CAS ID=764-22-7, Lipid ID=LMSP01020001, KEGG ID=C00836, HMP ID=HMDB00269, METLIN ID=395 ] 764-22-7 (302.30478, 5063.146)(303.30798, 1429.8135)(304.29926, 2041.6191)(305.3029, 603.5)(284.2931, 870.3333) 24 301.2974 Sphinganine HMDB00269 + LMSP01020001 371.3393@4.438662 4.438662 (372.34668, 34068.906)(373.35034, 9596.814)(374.3528, 2585.3215)(375.3559, 1345.31) 10 371.3393 371.3393@4.438662 + 324.3132@4.438692 4.438692 (325.32037, 3469.205)(326.3291, 1658.85) 2 324.3132 324.3132@4.438692 + 409.2833@4.4496427 4.4496427 (410.28973, 2222.6743)(411.29428, 849.85144)(412.3006, 517.12) 9 409.2833 409.2833@4.4496427 + 201.173@4.4435096 4.4435096 (202.1798, 6483.4766)(203.1826, 1021.8) 3 201.173 201.173@4.4435096 + C16 H35 N7 S2 4.448863 [ C16 H35 N7 S2, mfg=56.93, overall=56.93 ] (390.24918, 3819.616)(391.24084, 1452.0533)(392.2413, 918.94) 21 389.2413 C16 H35 N7 S2 + Dicyclohexylamine 4.451823 C14686 Dicyclohexylamine [ C12 H23 N, mfg=81.30, db=81.29, overall=81.30, CAS ID=101-83-7, KEGG ID=C14686, METLIN ID=70260 ] 101-83-7 (182.19023, 8904.871)(183.19275, 1607.2715) 36 181.1829 Dicyclohexylamine + N,N-dimethylhistidine + 4.45251 4.45251 C04259 N,N-dimethylhistidine [ C8 H13 N3 O2, db=62.86, overall=31.43, CAS ID=24940-57-6, KEGG ID=C04259, METLIN ID=44783 ] 24940-57-6 (184.10849, 8580.218)(185.11348, 1515.632)(186.11267, 2587.924) 25 183.1013 N,N-dimethylhistidine + 4.45251 + 343.3442@4.4552236 4.4552236 (344.35168, 2985.2522)(345.35474, 949.31494) 26 343.3442 343.3442@4.4552236 + 429.3809@4.460664 4.460664 (430.38855, 49137.09)(431.39175, 13629.829)(432.39163, 2557.1335)(433.39636, 1283.885) 15 429.3809 429.3809@4.460664 + 556.4062@4.4684496 4.4684496 (557.41327, 56502.176)(558.4164, 12618.733)(559.4194, 1413.971) 25 556.4062 556.4062@4.4684496 + C17 H5 N2 O16 S2 4.4690633 [ C17 H5 N2 O16 S2, mfg=61.09, overall=61.09 ] (557.915, 36615.273)(558.9174, 3901.4685) 25 556.9079 C17 H5 N2 O16 S2 + C12 H21 N5 O4 4.4698052 [ C12 H21 N5 O4, mfg=78.87, overall=78.87 ] (300.1666, 5354.6636)(301.16873, 1219.5049)(302.1717, 665.11) 35 299.1592 C12 H21 N5 O4 + 5-Methyldeoxycytidine 4.469048 C03592 5-Methyldeoxycytidine [ C10 H15 N3 O4, mfg=83.44, db=83.43, overall=83.44, CAS ID=838-07-3, KEGG ID=C03592, HMP ID=HMDB02224, METLIN ID=58109 ] 838-07-3 (483.21948, 1939.96)(484.2201, 781.23)(242.11375, 9540.883)(243.11794, 1707.5176)(244.1197, 689.9)(264.09573, 1859.844)(265.10376, 1181.886) 37 241.1063 5-Methyldeoxycytidine HMDB02224 + 5-Methylcytosine 4.4695187 C02376 5-Methylcytosine [ C5 H7 N3 O, mfg=78.08, db=78.08, overall=78.08, CAS ID=554-01-8, KEGG ID=C02376, HMP ID=HMDB02894, METLIN ID=3247 ] 554-01-8 (126.066124, 22892.57)(127.07313, 2350.2183)(128.0754, 874.39)(148.04755, 1723.7733) 36 125.0588 5-Methylcytosine HMDB02894 + 1095.7843@4.471565 4.471565 (1096.7911, 3330.889)(1097.795, 2013.0771)(1098.7972, 1175.0934) 27 1095.7843 1095.7843@4.471565 + C10 H23 N 4.4697 [ C10 H23 N, mfg=99.11, overall=99.11 ] (158.19012, 34669.34)(159.1934, 4034.475)(160.19643, 657.922) 37 157.1829 C10 H23 N + 427.3655@4.454891 4.454891 (428.3729, 93044.79)(429.37506, 25646.328) 8 427.3655 427.3655@4.454891 + 415.3654@4.4657607 4.4657607 (416.373, 14159.038)(417.37607, 5354.647)(418.3792, 2075.29)(398.3616, 1312.9)(399.3626, 604.03) 4 415.3654 415.3654@4.4657607 + 343.3083@4.477681 4.477681 (344.31516, 21831.926)(345.31714, 4933.2646)(346.3198, 1898.17) 2 343.3083 343.3083@4.477681 + 528.266@4.476845 4.476845 (529.2733, 3069.045)(530.2773, 1652.71) 2 528.266 528.266@4.476845 + Netilmicin 4.488249 C07657 Netilmicin [ C21 H41 N5 O7, mfg=91.41, db=91.40, overall=91.41, CAS ID=, KEGG ID=C07657, METLIN ID=43274 ] (476.30627, 38698.395)(477.30893, 9668.547)(478.31183, 2444.452)(479.31586, 1332.365) 36 475.2989 Netilmicin + C26 H54 N5 O2 4.49286 [ C26 H54 N5 O2, mfg=67.69, overall=67.69 ] (469.4357, 2082.5254)(470.43796, 881.2569) 17 468.4281 C26 H54 N5 O2 + C9 H21 N 4.4875045 [ C9 H21 N, mfg=86.38, overall=86.38 ] (144.1744, 20904.416)(145.17775, 2549.3433)(166.15854, 1011.12) 31 143.1672 C9 H21 N + C20 H26 N4 O6 S 4.497138 [ C20 H26 N4 O6 S, mfg=94.20, overall=94.20 ] (451.16406, 6515.039)(452.16745, 1550.3116)(453.1679, 664.77)(468.19092, 897.46686)(473.14584, 2092.6816)(474.1502, 911.47) 35 450.1568 C20 H26 N4 O6 S + 401.3501@4.501701 4.501701 (402.35736, 60880.348)(403.36084, 16454.363)(404.3633, 4190.011)(405.3666, 2680.61) 13 401.3501 401.3501@4.501701 + C19 H41 N O2 + 4.5004015 4.5004015 [ C19 H41 N O2, mfg=85.08, overall=85.08 ] (316.3207, 8064.429)(317.3239, 1810.4783)(298.3088, 761.56) 37 315.3135 C19 H41 N O2 + 4.5004015 + 276.082@4.5019255 4.5019255 (277.08954, 4125.55)(278.09305, 1411.615) 10 276.082 276.082@4.5019255 + 463.2567@4.5042276 4.5042276 (464.26428, 1248.3201)(465.2778, 606.69) 3 463.2567 463.2567@4.5042276 + C19 H37 N O2 S2 4.5171733 [ C19 H37 N O2 S2, mfg=69.67, overall=69.67 ] (768.47784, 1046.965)(376.23395, 4655.057)(377.235, 1317.0505)(378.2431, 960.04)(393.2552, 954.76) 31 375.2255 C19 H37 N O2 S2 + 409.282@4.520755 4.520755 (410.2894, 2520.6772)(411.2948, 1117.1812)(412.2973, 716.4) 19 409.282 409.282@4.520755 + 1155.6901@4.516 4.516 (1156.6974, 874.8) 1 1155.6901 1155.6901@4.516 + 767.4695@4.5308895 4.5308895 (768.4764, 5470.815)(769.4798, 2559.576)(770.4812, 1428.0956)(771.4811, 558.155) 22 767.4695 767.4695@4.5308895 + C17 H31 N O6 4.525467 [ C17 H31 N O6, mfg=99.45, overall=99.45 ] (346.22223, 64139.914)(347.22552, 12614.296)(348.22998, 2282.0369)(349.23358, 607.748)(368.2055, 914.05) 37 345.215 C17 H31 N O6 + C19 H29 N8 4.5272193 [ C19 H29 N8, mfg=87.57, overall=87.57 ] (370.2587, 8341.8545)(371.2614, 2431.1426)(372.26392, 860.6809) 37 369.2513 C19 H29 N8 + 187.157@4.5290203 4.5290203 (188.16406, 4188.9614)(189.16594, 903.2301) 6 187.157 187.157@4.5290203 + d-Dethiobiotin + 4.5324354 4.5324354 C01909 d-Dethiobiotin [ C10 H18 N2 O3, mfg=87.31, db=87.30, overall=87.31, CAS ID=533-48-2, KEGG ID=C01909, HMP ID=HMDB03581, METLIN ID=3351 ] 533-48-2 (215.13905, 69776.72)(216.1418, 8342.149)(197.12756, 942.02)(237.1227, 1268.14) 28 214.1319 d-Dethiobiotin + 4.5324354 HMDB03581 + 411.3344@4.5301666 4.5301666 (412.3412, 2447.755)(413.34564, 938.785) 2 411.3344 411.3344@4.5301666 + 265.1292@4.534 4.534 (266.1366, 4399.21)(267.141, 1352.55)(288.1175, 710.73) 1 265.1292 265.1292@4.534 + C10 H20 N2 O3 4.5410357 [ C10 H20 N2 O3, mfg=96.70, overall=96.70 ] (217.15482, 61414.45)(218.15816, 8173.6807)(219.16391, 1895.5043) 33 216.1475 C10 H20 N2 O3 + 373.3188@4.5463705 4.5463705 (374.32623, 16868.273)(375.32977, 4549.5464)(376.33154, 2154.62) 9 373.3188 373.3188@4.5463705 + Evodiamine 4.542899 C09187 Evodiamine [ C19 H17 N3 O, mfg=68.12, db=68.02, overall=68.07, CAS ID=518-17-2, KEGG ID=C09187, METLIN ID=67499 ] 518-17-2 (304.14444, 4793.448)(305.15024, 1419.1826) 20 303.1372 Evodiamine + C15 H21 N5 O 4.5506783 [ C15 H21 N5 O, mfg=71.98, overall=71.98 ] (288.18085, 4166.2705)(289.1846, 1087.2471) 23 287.1733 C15 H21 N5 O + C17 H37 N O2 + 4.5565977 4.5565977 [ C17 H37 N O2, mfg=99.62, overall=99.62 ] (288.28958, 26505.95)(289.2928, 5222.3613)(290.29517, 800.735) 37 287.2822 C17 H37 N O2 + 4.5565977 + 329.2562@4.559837 4.559837 (330.26324, 3282.21)(331.2682, 750.88) 2 329.2562 329.2562@4.559837 + 592.9368@4.572292 4.572292 (593.944, 58180.383)(594.94684, 6787.24)(595.9377, 940.52) 13 592.9368 592.9368@4.572292 + 1167.8405@4.5720625 4.5720625 (1168.8483, 3747.8777)(1169.852, 2626.2554)(1170.8555, 1134.3062) 9 1167.8405 1167.8405@4.5720625 + 592.4351@4.571951 4.571951 (593.4423, 98925.055)(594.4453, 26541.768)(595.447, 2357.538) 11 592.4351 592.4351@4.571951 + 214.1317@4.5810184 4.5810184 (215.1389, 5886.885)(216.1455, 1088.97) 2 214.1317 214.1317@4.5810184 + 440.3949@4.5852995 4.5852995 (441.40363, 1046.395)(442.3996, 682.1) 2 440.3949 440.3949@4.5852995 + C10 H23 N O 4.592452 [ C10 H23 N O, mfg=87.65, overall=87.65 ] (369.3469, 976.08)(174.18513, 18542.299)(175.18857, 2182.6758) 37 173.1778 C10 H23 N O + C31 H43 O5 S2 4.5919495 [ C31 H43 O5 S2, mfg=95.07, overall=95.07 ] (560.2623, 10262.948)(561.266, 4047.515)(562.2657, 1944.3363)(563.2657, 462.48) 17 559.2551 C31 H43 O5 S2 + 987.5456@4.626921 4.626921 (988.55334, 1941.8389)(989.5518, 657.59) 8 987.5456 987.5456@4.626921 + 503.7648@4.6076655 4.6076655 (504.7721, 16095.622)(505.77588, 1565.2783)(506.77045, 5972.31)(507.7727, 624.53) 6 503.7648 503.7648@4.6076655 + Taurohyocholic acid + 4.596465 4.596465 C15516 Taurohyocholic acid [ C26 H45 N O7 S, mfg=89.79, db=89.77, overall=89.78, Lipid ID=LMST05040010, KEGG ID=C15516, METLIN ID=57996 ] (1031.5902, 95802.45)(1032.5931, 57670.2)(1033.5939, 27006.66)(1034.594, 12393.938)(1035.5941, 5594.8364)(1036.5974, 1713.1)(1048.6143, 766.92)(1053.5715, 27478.428)(1054.5748, 16957.309)(1055.5751, 7490.2466)(1056.5768, 2965.0432)(1057.5798, 2000.52)(516.2992, 39905.93)(517.30365, 14324.268)(518.3036, 6775.0947)(519.3041, 2210.3179)(498.28842, 50749.824)(499.29315, 26856.557)(500.29208, 8119.3525)(501.29242, 2054.4226)(502.3007, 447.88)(533.32526, 264017.78)(534.3291, 76908.36)(535.33136, 37638.867)(536.3323, 9994.933)(537.33307, 2036.5957)(538.2808, 20936.654)(539.284, 7839.519)(540.2835, 3970.619)(541.2858, 918.175) 17 515.2914 Taurohyocholic acid + 4.596465 + LMST05040010 981.5522@4.6242104 4.6242104 (982.55975, 4132.3813)(983.5632, 908.7029)(984.5573, 5882.132)(985.5609, 1153.7438)(986.55554, 4414.298)(987.5583, 889.4363)(988.55347, 2214.1934)(989.5559, 321.325)(990.5504, 250.18) 19 981.5522 981.5522@4.6242104 + 1465.3322@4.6232624 4.6232624 (1466.3383, 1882.8401)(1467.3442, 860.27)(1468.3374, 1692.18) 4 1465.3322 1465.3322@4.6232624 + 424.4385@4.601 4.601 (425.4458, 4990.32)(426.4489, 2007.75) 1 424.4385 424.4385@4.601 + 1463.3344@4.6358757 4.6358757 (1464.341, 1685.4486)(1465.3423, 783.6617)(1466.3389, 1722.2919)(1467.3403, 692.24) 17 1463.3344 1463.3344@4.6358757 + C17 H7 O21 S 4.612165 [ C17 H7 O21 S, mfg=77.69, overall=77.69 ] (579.92816, 36852.98)(580.9305, 4075.1199)(581.9194, 1062.5668) 24 578.9209 C17 H7 O21 S + C18 H48 N19 O3 4.6126733 [ C18 H48 N19 O3, mfg=96.38, overall=96.38 ] (579.4265, 63567.82)(580.42926, 15081.275)(581.43024, 1604.4861) 20 578.4194 C18 H48 N19 O3 + 1139.8105@4.616837 4.616837 (1140.8174, 2792.0696)(1141.8207, 1882.4513)(1142.8234, 1185.2767)(1143.8234, 734.65) 23 1139.8105 1139.8105@4.616837 + 303.2512@4.6160254 4.6160254 (304.25876, 1539.4001)(305.2624, 710.045) 4 303.2512 303.2512@4.6160254 + PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) 4.6210527 C00626 PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) [ C49 H83 O13 P, db=69.90, overall=69.90, KEGG ID=C00626, HMP ID=HMDB09920, METLIN ID=61305 ] (928.5902, 2199.3738)(929.5929, 1320.7354)(930.6007, 1051.5934) 17 927.5833 PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) HMDB09920 + 413.35@4.5486784 4.5486784 (414.3572, 11917.42)(415.3602, 3615.665)(416.3682, 864.89)(436.3409, 712.46) 2 413.35 413.35@4.5486784 + 1-(8-[3]-ladderane-octanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol 4.619491 1-(8-[3]-ladderane-octanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol [ C43 H70 O4, db=65.82, overall=32.91, Lipid ID=LMGL02070009, METLIN ID=75580 ] (651.53406, 2418.187)(652.53735, 1400.1382)(653.546, 1203.9359) 21 650.5264 1-(8-[3]-ladderane-octanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol + LMGL02070009 C8 H13 N6 O2 4.6174893 [ C8 H13 N6 O2, mfg=87.32, overall=87.32 ] (226.11705, 26874.924)(227.12183, 2530.1929)(228.1242, 1131.1589)(208.105, 670.01)(248.09877, 1482.68) 33 225.1097 C8 H13 N6 O2 + Aniracetam 4.617007 C13355 Aniracetam [ C12 H13 N O3, mfg=90.20, db=90.19, overall=90.19, CAS ID=72432-10-1, KEGG ID=C13355, METLIN ID=69562 ] 72432-10-1 (220.09715, 13097.776)(221.10072, 2287.59)(222.10825, 519.47205)(237.1227, 903.63)(242.0794, 601.29) 35 219.0897 Aniracetam + 501.767@4.6351614 4.6351614 (502.77417, 16233.972)(503.77753, 1593.0978)(504.77213, 14978.537)(505.7759, 1315.8064)(506.7703, 4840.199)(507.7738, 245.72333) 19 501.767 501.767@4.6351614 + 640.54@4.622671 4.622671 (641.548, 1431.76)(642.5508, 727.065) 2 640.54 640.54@4.622671 + 499.7684@4.6359777 4.6359777 (1000.5339, 627.1)(500.77588, 6805.4155)(501.7788, 830.8975)(502.77423, 19900.918)(503.77744, 1877.0828)(504.7721, 18077.143)(505.77576, 1803.5656)(506.77042, 6237.525)(507.77493, 572.0966) 22 499.7684 499.7684@4.6359777 + 935.5874@4.6292295 4.6292295 (936.58746, 2849.0735)(937.5796, 970.74414)(938.5945, 6119.648)(939.5973, 1158.735)(940.5934, 8108.146)(941.59607, 1604.552)(942.5918, 6528.3306)(943.5973, 1263.4199)(944.591, 2507.54) 12 935.5874 935.5874@4.6292295 + C17 H29 N8 + 4.6266026 4.6266026 [ C17 H29 N8, mfg=77.19, overall=77.19 ] (346.25797, 3875.7869)(347.26218, 1038.7737)(328.2455, 779.04)(368.2406, 6323.99)(369.2428, 2597.58) 18 345.2506 C17 H29 N8 + 4.6266026 + 937.5863@4.6303105 4.6303105 (938.59454, 2666.392)(939.5974, 894.01)(940.5934, 4971.36)(941.5956, 754.62) 5 937.5863 937.5863@4.6303105 + 928.5052@4.6202083 4.6202083 (929.51184, 1551.0281)(930.5126, 1010.0778)(931.5275, 10894.63) 10 928.5052 928.5052@4.6202083 + C13 H Cl3 N4 S5 4.6317787 [ C13 H Cl3 N4 S5, mfg=47.42, overall=47.42 ] (478.7944, 12350.185)(479.7977, 1589.8643)(480.79227, 49381.535)(481.79572, 4526.3657)(482.7902, 48662.56)(483.79425, 4342.735)(484.78842, 15913.951)(485.79144, 1547.3622)(486.7932, 421.57)(500.77594, 6236.15) 22 477.7871 C13 H Cl3 N4 S5 + 495.759@4.6323915 4.6323915 (496.7662, 4590.5674)(497.76877, 850.82)(498.76395, 7587.8447)(499.76733, 532.21497) 17 495.759 495.759@4.6323915 + C15 H33 N O2 4.6295567 [ C15 H33 N O2, mfg=74.88, overall=74.88 ] (260.258, 3347.9915)(261.26083, 818.85004)(242.24663, 1122.906) 34 259.2508 C15 H33 N O2 + 939.5864@4.6329303 4.6329303 (940.5937, 2910.4785)(941.5954, 867.9666)(942.5922, 2664.6865)(943.5978, 786.09)(944.5913, 1176.31)(962.5785, 677.46) 7 939.5864 939.5864@4.6329303 + 1069.7913@4.623 4.623 (1070.7985, 1880.92)(1071.8007, 1056.01)(1072.808, 855.74) 1 1069.7913 1069.7913@4.623 + 425.2778@4.6306243 4.6306243 (426.28482, 3661.8655)(427.28864, 1291.5157) 7 425.2778 425.2778@4.6306243 + C10 H Cl3 O9 S4 4.634982 [ C10 H Cl3 O9 S4, mfg=47.42, overall=47.42 ] (498.76392, 3964.4412)(499.76822, 687.24335)(500.7742, 5565.83)(520.7458, 992.86395) 17 497.7568 C10 H Cl3 O9 S4 + C41 H68 O4 4.63237 [ C41 H68 O4, mfg=68.74, overall=68.74 ] (625.51855, 6441.7803)(626.5221, 3128.5232) 28 624.5115 C41 H68 O4 + PI(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 4.652464 PI(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) [ C47 H79 O13 P, db=29.57, overall=29.57, Lipid ID=LMGP06010848, METLIN ID=80870 ] (883.5295, 2149.3118)(884.53394, 1255.7767)(885.5469, 5101.072)(886.5503, 2689.3567)(887.558, 881.21497)(888.5663, 168.63)(900.5583, 1955.6266)(901.55725, 1958.47)(902.5741, 6102.255)(903.5767, 3433.3975)(905.5143, 1793.1085)(906.5172, 1233.1326)(907.52985, 7755.615)(908.5372, 4405.19) 11 882.5231 PI(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) + LMGP06010848 931.5233@4.6229277 4.6229277 (932.53064, 5329.6104)(933.5414, 3767.94)(934.54926, 1597.675) 2 931.5233 931.5233@4.6229277 + 813.5317@4.697551 4.697551 (814.54755, 2340.015)(815.5593, 885.58) 2 813.5317 813.5317@4.697551 + C9 H10 Cl3 N2 O4 S5 4.6335845 [ C9 H10 Cl3 N2 O4 S5, mfg=90.40, overall=90.40 ] (475.83682, 6314.2046)(476.84094, 927.78925)(477.8349, 7587.537)(478.83612, 760.435)(479.8328, 3687.3525) 24 474.8292 C9 H10 Cl3 N2 O4 S5 + 1410.3015@4.632931 4.632931 (1411.3093, 1199.1409)(1412.3124, 874.784)(1413.3113, 1245.246)(1414.3102, 492.94)(1415.3069, 647.46) 10 1410.3015 1410.3015@4.632931 + 472.8312@4.6350217 4.6350217 (473.83865, 3544.4973)(474.84213, 669.62)(475.83673, 13437.643)(476.84024, 1231.8)(477.8348, 12858.912) 14 472.8312 472.8312@4.6350217 + 1065.6354@4.6315637 4.6315637 (1066.642, 1862.4999)(1067.6454, 1190.6368)(1068.6467, 1004.4327) 13 1065.6354 1065.6354@4.6315637 + PI(20:3(5Z,8Z,11Z)/18:1(11Z)) 4.635655 C00626 PI(20:3(5Z,8Z,11Z)/18:1(11Z)) [ C47 H83 O13 P, db=90.03, overall=90.03, KEGG ID=C00626, HMP ID=HMDB09881, METLIN ID=61266 ] (887.5641, 27621.676)(888.5672, 14826.391)(889.57117, 5479.4517)(890.5748, 2064.595)(891.57806, 601.4533)(904.58997, 23058.453)(905.5934, 11881.243)(906.5958, 4490.784)(907.5969, 1421.4758)(908.5981, 375.62)(909.54626, 28133.588)(910.5493, 14335.5625)(911.5547, 6349.7905)(912.56024, 2119.6267)(913.5714, 905.132) 36 886.5565 PI(20:3(5Z,8Z,11Z)/18:1(11Z)) HMDB09881 + C41 H70 O4 4.639711 [ C41 H70 O4, mfg=98.15, overall=98.15 ] (627.5345, 53447.723)(628.53754, 23997.12)(629.5427, 6832.013)(630.546, 1419.0256)(631.5502, 430.56) 37 626.527 C41 H70 O4 + 442.2977@4.637284 4.637284 (902.6335, 538.25)(443.30508, 3439.113)(444.3141, 1353.4376)(445.30508, 698.2967) 14 442.2977 442.2977@4.637284 + C37 H62 N6 O2 4.637758 [ C37 H62 N6 O2, mfg=70.52, overall=70.52 ] (623.5001, 2755.3257)(624.50433, 1268.1293) 14 622.4921 C37 H62 N6 O2 + 924.5117@4.635324 4.635324 (925.52014, 1753.8269)(926.52466, 1106.7444)(927.51807, 814.30255)(947.5, 628.475) 10 924.5117 924.5117@4.635324 + 342.324@4.644935 4.644935 (343.33142, 2029.3701)(344.3244, 640.16)(360.3619, 817.84) 3 342.324 342.324@4.644935 + C36 H64 N6 O2 4.65885 [ C36 H64 N6 O2, mfg=59.87, overall=59.87 ] (613.5173, 1960.3944)(614.5184, 1185.7875)(630.5463, 2162.24)(631.5574, 469.11) 14 612.5105 C36 H64 N6 O2 + 250.041@4.648856 4.648856 (251.04843, 5229.298)(252.05183, 933.465) 10 250.041 250.041@4.648856 + 872.5416@4.640345 4.640345 (873.54956, 1269.575)(874.5571, 1024.355)(890.575, 2904.1335)(891.57764, 931.07)(895.5337, 1059.5675)(896.5362, 770.57996) 4 872.5416 872.5416@4.640345 + 1-Nitronaphthalene-5,6-oxide 4.657124 C14800 1-Nitronaphthalene-5,6-oxide [ C10 H7 N O3, mfg=90.86, db=90.86, overall=90.86, KEGG ID=C14800, METLIN ID=70332 ] (190.04977, 17558.064)(191.05318, 2541.3545)(192.05782, 962.50665) 30 189.0426 1-Nitronaphthalene-5,6-oxide + 305.1411@4.6619763 4.6619763 (306.14856, 3307.6667)(307.1561, 829.815)(323.1779, 1131.07) 3 305.1411 305.1411@4.6619763 + 985.5488@4.6375675 4.6375675 (986.55536, 3353.6008)(987.55743, 806.04834)(988.5535, 1553.094) 10 985.5488 985.5488@4.6375675 + C11 H25 Cl N2 O3 4.66046 [ C11 H25 Cl N2 O3, mfg=66.73, overall=33.36 ] (269.16312, 5847.129)(270.16785, 1368.6737)(271.15765, 1255.075) 9 268.1554 C11 H25 Cl N2 O3 + 443.3607@4.659133 4.659133 (444.3688, 4280.77)(445.37344, 1468.685) 2 443.3607 443.3607@4.659133 + C39 H66 O4 4.6662483 [ C39 H66 O4, mfg=73.08, overall=73.08 ] (599.5025, 12116.015)(600.50586, 5487.994)(601.5113, 3620.3425) 34 598.4956 C39 H66 O4 + PI(20:4(8Z,11Z,14Z,17Z)/16:0) 4.6675854 C00626 PI(20:4(8Z,11Z,14Z,17Z)/16:0) [ C45 H79 O13 P, db=62.70, overall=62.70, KEGG ID=C00626, HMP ID=HMDB09899, METLIN ID=61284 ] (859.53284, 6734.8843)(860.53516, 3760.0264)(861.5413, 1948.2168)(876.5584, 5915.1475)(877.5613, 3182.791)(878.5663, 1520.7109)(879.5704, 407.51)(881.5146, 7047.999)(882.5181, 3622.874)(883.5279, 3013.8499)(884.533, 1604.75) 32 858.5254 PI(20:4(8Z,11Z,14Z,17Z)/16:0) HMDB09899 + 503.7648@4.6683497 4.6683497 (504.77243, 13286.602)(505.7754, 1578.968)(506.77042, 5561.6455)(507.7738, 326.41) 7 503.7648 503.7648@4.6683497 + 502.7701@4.662248 4.662248 (503.77686, 2268.83) 2 502.7701 502.7701@4.662248 + 856.5076@4.72396 4.72396 (857.5148, 2294.483)(858.51794, 1210.9459)(859.5268, 1028.8866)(874.5492, 1959.76)(879.49756, 1378.8419)(880.50354, 792.025)(881.5081, 855.24) 7 856.5076 856.5076@4.72396 + 269.0703@4.649795 4.649795 (270.07736, 2989.438)(271.0804, 1089.91)(272.0757, 663.71) 9 269.0703 269.0703@4.649795 + PI(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 4.6667156 PI(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C47 H77 O13 P, db=64.59, overall=64.59, Lipid ID=LMGP06010869, METLIN ID=80891 ] (903.49695, 3000.6025)(904.50116, 1753.8617)(905.5129, 1380.42) 25 902.4895 PI(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + LMGP06010869 C23 H48 N2 O 4.668896 [ C23 H48 N2 O, mfg=79.83, overall=79.83 ] (369.38333, 11561.056)(370.3866, 3551.9688)(371.389, 1744.03) 22 368.3759 C23 H48 N2 O + C16 H27 N O S + 4.6681876 4.6681876 [ C16 H27 N O S, mfg=80.08, overall=80.08 ] (282.1909, 14767.968)(283.1897, 3028.9866)(284.18616, 967.2415) 34 281.1837 C16 H27 N O S + 4.6681876 + 596.4806@4.6685586 4.6685586 (597.4879, 2139.205)(598.4907, 1643.63) 2 596.4806 596.4806@4.6685586 + 346.2608@4.6862397 4.6862397 (347.26767, 1442.8975) 4 346.2608 346.2608@4.6862397 + 811.5121@4.7286196 4.7286196 (812.5167, 3371.35)(813.5197, 1622.6052)(814.5352, 3152.6)(834.501, 1605.5414) 15 811.5121 811.5121@4.7286196 + 904.5056@4.68221 4.68221 (905.51276, 1705.2067)(906.5169, 1060.0209)(907.52826, 2840.9734)(908.5383, 2035.0049)(927.5038, 690.13) 14 904.5056 904.5056@4.68221 + C37 H66 N3 O3 4.7100472 [ C37 H66 N3 O3, mfg=73.45, overall=73.45 ] (601.51715, 5435.0547)(602.5214, 2141.026) 26 600.5094 C37 H66 N3 O3 + 314.293@4.7035832 4.7035832 (315.30002, 2299.4634)(316.3085, 962.805) 6 314.293 314.293@4.7035832 + 1211.8682@4.7400875 4.7400875 (1212.8749, 2390.8875)(1213.8782, 2002.6982)(1214.8809, 965.0) 8 1211.8682 1211.8682@4.7400875 + C13 H33 N4 O S2 + 4.708239 4.708239 [ C13 H33 N4 O S2, mfg=89.02, overall=89.02 ] (326.2172, 9257.921)(327.2187, 1880.3031)(328.20996, 1105.8237) 35 325.2099 C13 H33 N4 O S2 + 4.708239 + 508.2808@4.704 4.704 (509.288, 2033.77)(510.2931, 725.97)(531.27, 1201.23) 1 508.2808 508.2808@4.704 + 614.448@4.7185655 4.7185655 (615.4553, 95440.5)(616.45844, 26141.021)(617.46045, 2612.101) 10 614.448 614.448@4.7185655 + 336.2662@4.7034535 4.7034535 (337.27332, 2244.375)(338.2832, 1003.4) 2 336.2662 336.2662@4.7034535 + aminocaproic acid 4.708906 C02378 aminocaproic acid [ C6 H13 N O2, mfg=86.97, db=86.96, overall=86.96, CAS ID=60-32-2, KEGG ID=C02378, METLIN ID=3926 ] 60-32-2 (285.1803, 1127.1)(132.1016, 31063.367)(133.10472, 2499.714)(114.09108, 20741.68)(115.092, 1713.2023)(116.0801, 504.81) 32 131.0943 aminocaproic acid + PI(18:1(9Z)/18:2(9Z,12Z)) 4.7104692 PI(18:1(9Z)/18:2(9Z,12Z)) [ C45 H81 O13 P, db=41.10, overall=41.10, Lipid ID=LMGP06010931, METLIN ID=80953 ] (861.5462, 2539.5059)(862.54974, 1451.6884)(863.5632, 6368.175)(864.5664, 3897.6)(865.5677, 1196.63)(878.57196, 1900.8654)(879.5764, 1051.0867)(880.58997, 2570.045)(881.5913, 1286.02)(882.5975, 414.56)(883.52954, 2387.0234)(884.53357, 1258.48)(885.5453, 4097.52)(886.5501, 2310.72)(887.5573, 1351.34) 21 860.5385 PI(18:1(9Z)/18:2(9Z,12Z)) + LMGP06010931 340.3449@4.718578 4.718578 (341.35248, 3514.073)(342.35492, 1366.915) 7 340.3449 340.3449@4.718578 + 761.535@4.7138186 4.7138186 (762.54254, 1523.365)(763.5473, 780.85) 2 761.535 761.535@4.7138186 + PI(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) 4.646698 C00626 PI(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) [ C47 H81 O13 P, db=62.62, overall=62.62, KEGG ID=C00626, HMP ID=HMDB09890, METLIN ID=61275 ] (885.54736, 3727.6055)(886.55084, 2074.4043)(887.5596, 8875.787)(902.5734, 3975.8242)(903.57697, 2264.011)(907.53, 3068.8027)(908.5413, 2036.7953) 28 884.5409 PI(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) HMDB09890 + 791.4842@4.726716 4.726716 (792.4912, 2056.7505)(793.4945, 1104.3015)(794.50464, 867.0222) 14 791.4842 791.4842@4.726716 + C34 H72 N3 O3 S 4.7308106 [ C34 H72 N3 O3 S, mfg=79.85, overall=79.85 ] (603.534, 9322.721)(604.5375, 4024.923)(605.54504, 1886.1365)(606.55194, 878.895) 37 602.5267 C34 H72 N3 O3 S + 863.5594@4.7235403 4.7235403 (864.56635, 4235.895)(865.568, 1587.44)(866.5762, 971.265) 2 863.5594 863.5594@4.7235403 + C38 H79 N6 S4 4.7275543 [ C38 H79 N6 S4, mfg=83.00, overall=41.50 ] (748.52716, 14611.748)(749.53033, 7021.4717)(750.5394, 4931.609)(751.54407, 1863.1959)(770.50946, 3345.965)(771.51245, 1891.9781)(772.52295, 1653.6857) 30 747.5196 C38 H79 N6 S4 + PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) 4.7374825 C00350 PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) [ C45 H78 N O7 P, db=92.41, overall=92.41, KEGG ID=C00350, HMP ID=HMDB09677, METLIN ID=61066 ] (776.557, 6953.44)(777.5604, 3664.3052)(778.5648, 1233.765)(758.5331, 2399.6602)(759.5365, 1134.3)(798.5389, 2026.5492)(799.5433, 1262.8992)(800.55304, 986.5833) 30 775.5507 PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) HMDB09677 + 298.2979@4.739278 4.739278 (299.30542, 9195.564)(300.3079, 2248.04) 2 298.2979 298.2979@4.739278 + 301.2258@4.7452726 4.7452726 (302.2331, 3473.995)(303.23615, 1049.115) 2 301.2258 301.2258@4.7452726 + 275.1096@4.732712 4.732712 (276.11646, 3840.3298) 9 275.1096 275.1096@4.732712 + PE(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)) 4.74903 C00350 PE(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)) [ C45 H76 N O8 P, db=40.81, overall=40.81, KEGG ID=C00350, HMP ID=HMDB09397, METLIN ID=60793 ] (790.5385, 14489.994)(791.54193, 7169.5)(792.55304, 14857.419)(793.5568, 7312.0654)(794.5627, 3596.49)(795.5655, 459.71)(807.5638, 694.45)(812.51794, 3421.284)(813.52155, 1910.4784)(814.5338, 2112.68) 21 789.5305 PE(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)) HMDB09397 + 572.4793@4.742 4.742 (573.4866, 1000.09) 1 572.4793 572.4793@4.742 + PI(16:0/20:5(5Z,8Z,11Z,14Z,17Z)) 4.7613006 PI(16:0/20:5(5Z,8Z,11Z,14Z,17Z)) [ C45 H77 O13 P, db=63.18, overall=63.18, Lipid ID=LMGP06010874, METLIN ID=80896 ] (879.49585, 1919.7106)(880.5, 1075.4193)(881.509, 1015.658) 16 878.4885 PI(16:0/20:5(5Z,8Z,11Z,14Z,17Z)) + LMGP06010874 600.9342@4.7502856 4.7502856 (601.9412, 46660.273)(602.9436, 5057.288)(603.93744, 919.49005) 15 600.9342 600.9342@4.7502856 + 1183.835@4.750723 4.750723 (1184.8434, 2105.0986)(1185.8463, 1485.2739)(1186.849, 1153.1666)(1187.856, 254.64) 15 1183.835 1183.835@4.750723 + PI(18:1(11Z)/16:1(9Z)) 4.7583895 C00626 PI(18:1(11Z)/16:1(9Z)) [ C43 H79 O13 P, db=66.04, overall=66.04, KEGG ID=C00626, HMP ID=HMDB09823, METLIN ID=61208 ] (835.5319, 3282.1853)(836.5315, 2081.3118)(837.5368, 1062.531)(852.55945, 2268.1956)(853.5627, 1204.0023)(854.5801, 1000.28687)(857.51416, 3027.2668)(858.5181, 1574.8582)(859.5278, 1232.9357) 30 834.525 PI(18:1(11Z)/16:1(9Z)) HMDB09823 + C22 H31 N O S 4.7502394 [ C22 H31 N O S, mfg=84.46, overall=84.46 ] (358.2219, 13605.285)(359.22058, 3827.0537)(360.22357, 1185.4104) 37 357.2149 C22 H31 N O S + C37 H67 Cl N2 4.7585406 [ C37 H67 Cl N2, mfg=75.03, overall=75.03 ] (575.50275, 7387.1987)(576.5061, 3084.6873)(577.5162, 1933.3474)(578.5206, 848.6633) 34 574.4952 C37 H67 Cl N2 + ZK 168281 4.69521 ZK 168281 [ C32 H46 O5, mfg=42.66, db=52.19, overall=47.43, Lipid ID=LMST03020622, METLIN ID=42548 ] (533.3254, 3798.2717)(534.32947, 1401.3291)(535.3353, 3063.54) 18 532.3187 ZK 168281 + LMST03020622 795.5099@4.7435217 4.7435217 (796.51764, 1437.1367)(797.51874, 891.00665) 6 795.5099 795.5099@4.7435217 + C43 H69 N3 O6 4.7585154 [ C43 H69 N3 O6, mfg=93.38, overall=46.69 ] (724.5265, 5908.0386)(725.5297, 2774.985)(726.53284, 1072.025)(746.5104, 1747.2869)(747.5153, 1053.9141) 22 723.5191 C43 H69 N3 O6 + 751.5493@4.7633433 4.7633433 (752.55743, 7110.0547)(753.5611, 2830.645)(754.5648, 1025.95) 2 751.5493 751.5493@4.7633433 + C23 H35 N3 O2 4.7541966 [ C23 H35 N3 O2, mfg=78.62, overall=78.62 ] (386.27963, 12729.679)(387.28333, 3963.9314)(403.3078, 634.5) 18 385.2726 C23 H35 N3 O2 + 837.5481@4.758 4.758 (838.5554, 1629.32)(839.5608, 1496.44) 1 837.5481 837.5481@4.758 + 877.6309@4.763811 4.763811 (878.6377, 1526.415)(879.6398, 965.15)(880.6387, 698.29) 2 877.6309 877.6309@4.763811 + C21 H43 N8 O7 4.7718244 [ C21 H43 N8 O7, mfg=95.92, overall=95.92 ] (520.33234, 26464.725)(521.3343, 7506.638)(522.33673, 1850.824)(523.3424, 926.85254) 35 519.325 C21 H43 N8 O7 + 829.5097@4.762 4.762 (830.517, 1091.78)(831.5141, 859.9) 1 829.5097 829.5097@4.762 + 203.0584@4.7667303 4.7667303 (204.06593, 2100.326)(205.067, 932.08)(221.09229, 9839.439)(222.09564, 1516.9366)(223.0923, 667.68) 10 203.0584 203.0584@4.7667303 + 442.2981@4.767613 4.767613 (443.30527, 2560.2075)(444.30972, 986.885)(445.30765, 672.99) 4 442.2981 442.2981@4.767613 + 849.5982@4.7679424 4.7679424 (850.60474, 4121.8447)(851.6093, 2338.1733)(852.6143, 1834.5732)(853.6162, 833.25) 9 849.5982 849.5982@4.7679424 + C16 H34 N2 O2 4.769285 [ C16 H34 N2 O2, mfg=73.00, overall=73.00 ] (287.2691, 9344.326)(288.27463, 2300.842)(304.2981, 896.05005) 36 286.262 C16 H34 N2 O2 + PE(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) 4.7697663 C00350 PE(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) [ C45 H78 N O8 P, db=78.77, overall=78.77, KEGG ID=C00350, HMP ID=HMDB09365, METLIN ID=60761 ] (792.55304, 15092.662)(793.55676, 7433.6416)(794.5632, 3763.8413)(795.569, 1768.8201)(774.5406, 879.72)(814.53534, 3633.2446)(815.53925, 1939.0508)(816.54517, 1518.516)(817.55334, 676.625) 26 791.5459 PE(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) HMDB09365 + 312.3138@4.7630196 4.7630196 (313.32123, 4623.351)(314.3246, 2136.565) 6 312.3138 312.3138@4.7630196 + PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) 4.7757564 C00350 PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) [ C45 H72 N O8 P, db=65.71, overall=65.71, KEGG ID=C00350, HMP ID=HMDB09624, METLIN ID=61013 ] (808.4865, 4299.2017)(809.48987, 2173.149)(810.49976, 1993.3107)(811.5039, 710.09326) 28 807.479 PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) HMDB09624 + 492.2858@4.770938 4.770938 (493.2921, 1887.2051)(494.2954, 818.16)(495.3039, 582.82) 2 492.2858 492.2858@4.770938 + PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)) 4.7748513 C00350 PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)) [ C43 H74 N O8 P, db=61.51, overall=61.51, KEGG ID=C00350, HMP ID=HMDB09325, METLIN ID=60721 ] (1528.0364, 864.025)(1529.0363, 844.33997)(1530.0452, 1044.66)(1550.0153, 1155.04)(1551.0208, 987.47)(764.5223, 57177.305)(765.5255, 27569.223)(766.53516, 24149.053)(767.5401, 12432.973)(781.5463, 777.91)(786.50415, 9761.001)(787.50745, 5341.64)(788.516, 5107.822)(789.51984, 2347.8347) 36 763.5151 PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)) HMDB09325 + 824.5853@4.781838 4.781838 (825.59265, 3246.305) 2 824.5853 824.5853@4.781838 + 821.5681@4.776864 4.776864 (822.5722, 7268.8315)(823.5764, 3639.1309)(824.58606, 3182.473)(825.5923, 1635.1284) 17 821.5681 821.5681@4.776864 + 510.2973@4.7795525 4.7795525 (511.3046, 2359.45)(512.3102, 785.85) 2 510.2973 510.2973@4.7795525 + Tryptophan 4.781196 C00806 Tryptophan [ C11 H12 N2 O2, mfg=88.26, db=88.26, overall=88.26, CAS ID=54-12-6, KEGG ID=C00806, METLIN ID=65534 ] 54-12-6 (205.09724, 31349.137)(206.10123, 3951.4985)(207.10454, 2025.7968) 25 204.0901 Tryptophan + PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z)) 4.7862577 C00350 PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z)) [ C43 H76 N O7 P, db=60.13, overall=30.06, KEGG ID=C00350, HMP ID=HMDB09447, METLIN ID=60843 ] (750.5426, 11579.95)(751.5461, 5492.9165)(752.5566, 6009.5967)(753.56055, 2010.6466)(732.5266, 620.25)(772.52423, 2552.1235)(773.5283, 1387.7313)(774.53827, 1274.8168) 29 749.5353 PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z)) HMDB09447 + 616.4542@4.7221775 4.7221775 (617.46045, 1404.71) 2 616.4542 616.4542@4.7221775 + PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z)) 4.795175 C00350 PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z)) [ C45 H80 N O7 P, db=75.93, overall=75.93, KEGG ID=C00350, HMP ID=HMDB09612, METLIN ID=61001 ] (778.57385, 9358.309)(779.57697, 4794.0176)(780.5847, 2785.6755)(781.5774, 753.09)(800.5563, 2290.6936)(801.55927, 1231.4639)(802.5665, 1097.9242) 30 777.5664 PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z)) HMDB09612 + 825.5979@4.7903085 4.7903085 (826.60443, 3298.2144)(827.60876, 2002.3728)(828.6057, 1173.6875) 9 825.5979 825.5979@4.7903085 + PE(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) 4.7945743 C00350 PE(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) [ C43 H72 N O8 P, db=66.05, overall=66.05, KEGG ID=C00350, HMP ID=HMDB09360, METLIN ID=60756 ] (762.5056, 5435.656)(763.5092, 2527.778)(784.4863, 1673.02)(785.4894, 1140.16) 11 761.4981 PE(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) HMDB09360 + C11 H7 N O2 S 4.7930474 [ C11 H7 N O2 S, mfg=94.78, overall=94.78 ] (218.0271, 10449.24)(219.02994, 2045.3363)(220.02449, 1359.1642)(235.05368, 24377.742)(236.0571, 3943.1702)(237.0515, 1876.108)(238.0543, 946.83) 36 217.0199 C11 H7 N O2 S + C46 H65 N4 O4 4.7999015 [ C46 H65 N4 O4, mfg=65.64, overall=32.82 ] (738.50745, 4579.5923)(739.51056, 2448.091)(755.53784, 1166.97) 19 737.5005 C46 H65 N4 O4 + 5-Methoxytryptophan 4.7946258 5-Methoxytryptophan [ C12 H14 N2 O3, mfg=74.21, db=74.19, overall=74.20, CAS ID=2504-22-5, HMP ID=HMDB02339, METLIN ID=6631 ] 2504-22-5 (235.10861, 8197.586)(236.11192, 1632.0444)(237.1163, 826.75)(257.09152, 1087.7314) 13 234.1016 5-Methoxytryptophan HMDB02339 + 244.0858@4.792 4.792 (245.0931, 3039.74)(246.0969, 687.59) 1 244.0858 244.0858@4.792 + 6-Gingerol 4.7910037 C10462 6-Gingerol [ C17 H26 O4, mfg=47.45, db=67.64, overall=57.54, CAS ID=23513-14-6, KEGG ID=C10462, METLIN ID=45734 ] 23513-14-6 (312.21716, 3187.6711)(313.2184, 1083.58)(314.2258, 445.27) 12 311.2097 6-Gingerol + PE(20:2(11Z,14Z)/18:2(9Z,12Z)) 4.802058 C00350 PE(20:2(11Z,14Z)/18:2(9Z,12Z)) [ C43 H78 N O8 P, db=97.14, overall=97.14, KEGG ID=C00350, HMP ID=HMDB09291, METLIN ID=60687 ] (768.55286, 22251.498)(769.55646, 10538.383)(770.5609, 3453.8567)(771.56445, 883.9346)(790.5372, 3959.7478)(791.54004, 1714.4485) 33 767.5459 PE(20:2(11Z,14Z)/18:2(9Z,12Z)) HMDB09291 + C39 H83 N2 S5 4.804669 [ C39 H83 N2 S5, mfg=76.31, overall=38.15 ] (740.522, 18401.988)(741.5256, 8270.371)(742.5299, 6209.38)(722.5049, 874.0)(762.50525, 2877.6572)(763.509, 1490.86) 32 739.5148 C39 H83 N2 S5 + 508.2802@4.801164 4.801164 (509.2874, 2936.0378)(510.29297, 1035.2032)(491.27762, 3031.4175)(492.28296, 1488.725)(531.26855, 1586.1499) 5 508.2802 508.2802@4.801164 + 751.5496@4.806259 4.806259 (752.5566, 5019.7363)(753.5612, 2651.105)(774.5383, 1533.985) 6 751.5496 751.5496@4.806259 + PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) 4.8067527 C00350 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) [ C45 H70 N O8 P, db=44.10, overall=44.10, KEGG ID=C00350, HMP ID=HMDB09690, METLIN ID=61079 ] (784.48627, 2300.3374)(785.4899, 1223.7659) 17 783.4791 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) HMDB09690 + 472.2609@4.803 4.803 (473.2682, 2409.73) 1 472.2609 472.2609@4.803 + 270.2668@4.80989 4.80989 (271.27408, 3912.32)(272.2705, 1180.65) 3 270.2668 270.2668@4.80989 + 811.5102@4.78124 4.78124 (812.51337, 2835.9592)(813.5162, 1416.0111)(814.51465, 1062.5533) 28 811.5102 811.5102@4.78124 + C10 H23 N O + 4.8089213 4.8089213 [ C10 H23 N O, mfg=76.67, overall=76.67 ] (174.18512, 4384.182)(175.18857, 804.262)(156.17465, 810.83496)(196.16925, 923.72) 24 173.1779 C10 H23 N O + 4.8089213 + C39 H77 N6 S3 4.815907 [ C39 H77 N6 S3, mfg=69.53, overall=34.77 ] (726.5416, 2715.3962)(727.5456, 1380.2288)(728.5569, 1060.81)(748.5237, 818.0101)(749.5237, 810.17505) 19 725.5347 C39 H77 N6 S3 + C19 H38 N2 O3 4.811824 [ C19 H38 N2 O3, mfg=96.98, overall=96.98 ] (343.29517, 16857.08)(344.29834, 4123.54)(345.30014, 878.56006) 37 342.288 C19 H38 N2 O3 + 805.5967@4.816791 4.816791 (806.6032, 1952.7701)(807.6051, 1075.509)(808.60474, 1528.28)(809.5987, 758.68)(810.6017, 889.38)(828.5934, 661.66) 10 805.5967 805.5967@4.816791 + C11 H23 N O3 4.8161654 [ C11 H23 N O3, mfg=39.00, overall=39.00 ] (218.17487, 3634.6682)(219.18112, 1067.4182)(220.1703, 519.2)(200.1659, 756.655) 26 217.1676 C11 H23 N O3 + Deoxyvasicinone 4.8083916 C10659 Deoxyvasicinone [ C11 H10 N2 O, mfg=72.12, db=72.10, overall=72.11, CAS ID=530-53-0, KEGG ID=C10659, METLIN ID=68472 ] 530-53-0 (187.08682, 5593.185)(188.09143, 1090.8689) 23 186.0794 Deoxyvasicinone + C10 H8 Cl N O 4.823378 [ C10 H8 Cl N O, mfg=97.02, overall=97.02 ] (194.0368, 7715.084)(195.04, 1440.9382)(196.034, 3686.468)(197.0365, 767.45)(211.06334, 13415.976)(212.06697, 1788.1885)(213.06078, 4982.2324)(214.06348, 705.3133) 24 193.0295 C10 H8 Cl N O + C9 H21 N O3 4.8253374 [ C9 H21 N O3, mfg=98.34, overall=98.34 ] (192.15952, 77584.9)(193.16292, 8708.26)(194.16074, 1876.1416)(214.14073, 2876.4001)(215.1348, 1052.49) 37 191.1522 C9 H21 N O3 + 381.2526@4.7965508 4.7965508 (382.25916, 1748.2866)(383.2645, 748.6) 3 381.2526 381.2526@4.7965508 + 371.2568@4.8128476 4.8128476 (372.26364, 4477.0757)(373.26984, 1542.508)(374.2747, 702.05) 7 371.2568 371.2568@4.8128476 + 319.2355@4.8284235 4.8284235 (320.24335, 2867.2422)(321.2474, 1437.59) 4 319.2355 319.2355@4.8284235 + 699.5214@4.839569 4.839569 (700.52985, 2352.9475)(701.53186, 1123.3025) 4 699.5214 699.5214@4.839569 + PE(20:3(8Z,11Z,14Z)/P-18:0) 4.8370814 C00350 PE(20:3(8Z,11Z,14Z)/P-18:0) [ C43 H80 N O7 P, db=80.26, overall=80.26, KEGG ID=C00350, HMP ID=HMDB09379, METLIN ID=60775 ] (754.5727, 3727.4404)(755.5767, 1873.7738)(756.5801, 956.9542)(776.55475, 1391.1628)(777.557, 914.4886) 22 753.5646 PE(20:3(8Z,11Z,14Z)/P-18:0) HMDB09379 + 284.2825@4.848847 4.848847 (285.2895, 9464.294)(286.2954, 2088.8867) 7 284.2825 284.2825@4.848847 + C29 H63 N19 O4 4.8422275 [ C29 H63 N19 O4, mfg=71.36, overall=35.68 ] (742.5374, 9868.828)(743.54083, 4264.1836)(764.5198, 2692.788)(765.52344, 1064.335)(766.5327, 1938.27) 35 741.5302 C29 H63 N19 O4 + C20 H13 O22 S 4.851398 [ C20 H13 O22 S, mfg=76.62, overall=76.62 ] (637.9701, 46668.027)(638.9729, 6197.072)(639.96136, 997.7511) 26 636.9629 C20 H13 O22 S + C22 H50 N23 4.8520284 [ C22 H50 N23, mfg=96.33, overall=96.33 ] (637.4686, 69209.61)(638.4717, 20256.248)(639.4741, 1990.165) 26 636.4613 C22 H50 N23 + 749.4602@4.8883696 4.8883696 (750.4684, 1431.575) 2 749.4602 749.4602@4.8883696 + C28 H55 N23 4.8566146 [ C28 H55 N23, mfg=71.74, overall=35.87 ] (714.5075, 2194.0054)(715.50964, 982.83203)(736.4898, 693.96) 11 713.5002 C28 H55 N23 + N2-Acetyl-L-ornithine 4.866964 C00437 N2-Acetyl-L-ornithine [ C7 H14 N2 O3, mfg=96.91, db=96.91, overall=96.91, CAS ID=2185-16-2, KEGG ID=C00437, METLIN ID=3303 ] 2185-16-2 (175.10786, 113417.85)(176.11203, 10299.955)(177.11069, 1704.8263)(197.09145, 1353.4149) 28 174.1006 N2-Acetyl-L-ornithine + 727.5553@4.854031 4.854031 (728.561, 2204.9402)(729.563, 1100.0575)(730.5583, 1324.62) 8 727.5553 727.5553@4.854031 + C18 H36 N2 O3 4.876999 [ C18 H36 N2 O3, mfg=80.81, overall=80.81 ] (329.27948, 6127.784)(330.28238, 1528.1459) 36 328.2723 C18 H36 N2 O3 + C13 H27 N4 O3 4.8831134 [ C13 H27 N4 O3, mfg=64.36, overall=64.36 ] (288.21674, 5963.1396)(289.22, 1523.3358)(290.2153, 1017.82) 31 287.2095 C13 H27 N4 O3 + C44 H75 O3 S2 4.880893 [ C44 H75 O3 S2, mfg=88.24, overall=44.12 ] (716.52246, 12487.739)(717.52563, 5560.944)(718.5331, 2441.177)(719.53613, 979.97)(738.5047, 2875.9988)(739.5085, 1583.1581)(740.5188, 1483.44) 35 715.5149 C44 H75 O3 S2 + C22 H54 N16 O5 4.8876047 [ C22 H54 N16 O5, mfg=97.41, overall=97.41 ] (623.4528, 46951.87)(624.4557, 13558.913)(625.4583, 1441.7097) 31 622.4454 C22 H54 N16 O5 + C19 H11 O22 S 4.8842826 [ C19 H11 O22 S, mfg=76.51, overall=76.51 ] (623.9544, 32411.57)(624.95715, 4059.0308)(625.94385, 953.56006) 30 622.9473 C19 H11 O22 S + C38 H75 N6 O6 S 4.886443 [ C38 H75 N6 O6 S, mfg=94.82, overall=47.41 ] (744.5538, 11904.376)(745.55707, 5462.824)(746.56195, 2045.4275)(747.56537, 500.02713)(766.5339, 3278.153)(767.53766, 1694.4786)(768.546, 1090.22) 34 743.546 C38 H75 N6 O6 S + 787.511@4.8707356 4.8707356 (788.51483, 2991.4573)(789.52057, 1560.1001) 7 787.511 787.511@4.8707356 + C39 H77 N2 O5 S2 4.8996053 [ C39 H77 N2 O5 S2, mfg=84.42, overall=42.21 ] (718.5343, 3375.8801)(719.53925, 1287.1089)(720.5414, 677.20496)(740.519, 1803.14) 10 717.5272 C39 H77 N2 O5 S2 + C17 H37 N S2 4.898981 [ C17 H37 N S2, mfg=85.60, overall=85.60 ] (639.47375, 1354.83)(320.24277, 4703.132)(321.24692, 1098.4537)(322.2503, 627.3)(302.233, 973.15) 31 319.2356 C17 H37 N S2 + C18 H35 N O S2 4.9017634 [ C18 H35 N O S2, mfg=88.35, overall=88.35 ] (346.22253, 6042.597)(347.22614, 1421.8408)(348.2284, 706.67334) 31 345.2151 C18 H35 N O S2 + C15 H27 N8 O 4.898551 [ C15 H27 N8 O, mfg=63.67, overall=63.67 ] (336.23764, 2992.4612)(337.24033, 1053.4146)(318.22723, 1014.095)(353.268, 586.42)(358.2216, 766.78) 22 335.2304 C15 H27 N8 O + Harmalol + 4.906716 4.906716 C06537 Harmalol [ C12 H12 N2 O, mfg=88.01, db=88.01, overall=88.01, CAS ID=525-57-5, KEGG ID=C06537, METLIN ID=3337 ] 525-57-5 (201.10237, 38500.152)(202.10567, 6274.2505)(203.1163, 1676.135) 28 200.095 Harmalol + 4.906716 + 442.2395@4.913 4.913 (443.2468, 2883.12)(444.2498, 1135.78) 1 442.2395 442.2395@4.913 + 674.4116@4.935326 4.935326 (675.41907, 6925.026)(676.4226, 2864.0679)(677.425, 659.9633) 15 674.4116 674.4116@4.935326 + 3-Methyl-quinolin-2-ol 4.931611 C06345 3-Methyl-quinolin-2-ol [ C10 H9 N O, mfg=99.60, db=99.60, overall=99.60, KEGG ID=C06345, METLIN ID=66381 ] (160.07567, 180595.72)(161.07898, 22211.121)(162.08157, 2346.1477)(177.10236, 101504.02)(178.10597, 13552.658)(179.1124, 1660.002) 30 159.0684 3-Methyl-quinolin-2-ol + 748.958@4.9282265 4.9282265 (749.96545, 2762.4766)(750.9677, 816.008) 8 748.958 748.958@4.9282265 + 350.1738@4.9300766 4.9300766 (351.1812, 5991.785)(352.1844, 1806.7476) 8 350.1738 350.1738@4.9300766 + 203.0582@4.9301934 4.9301934 (204.06577, 4617.872)(205.06953, 1007.73)(221.09221, 21883.652)(222.09653, 2922.9622) 5 203.0582 203.0582@4.9301934 + 190.0744@4.932763 4.932763 (191.08148, 11642.639)(192.08745, 2011.101)(173.07211, 2686.7002)(174.0834, 1063.11)(213.06337, 8014.6387)(214.0673, 1295.5599) 10 190.0744 190.0744@4.932763 + 264.0749@4.9342265 4.9342265 (265.0823, 6050.814)(266.08533, 1164.0631)(287.06342, 1185.4425) 12 264.0749 264.0749@4.9342265 + 240.0511@4.9305053 4.9305053 (241.05846, 7416.3413)(242.06311, 1395.6635) 6 240.0511 240.0511@4.9305053 + 161.1212@4.941 4.941 (162.1285, 16248.63)(163.1307, 1841.14) 1 161.1212 161.1212@4.941 + C15 H34 Cl N2 O4 4.942916 [ C15 H34 Cl N2 O4, mfg=80.91, overall=80.91 ] (342.22705, 5156.367)(343.23016, 1333.4507)(344.22766, 1703.1963) 33 341.2201 C15 H34 Cl N2 O4 + 611.406@4.942857 4.942857 (612.4129, 2657.6565)(613.4163, 1032.3658) 12 611.406 611.406@4.942857 + C17 H34 N2 O3 4.951336 [ C17 H34 N2 O3, mfg=80.13, overall=80.13 ] (315.2643, 4651.664)(316.26672, 1133.0936) 33 314.2568 C17 H34 N2 O3 + C31 H62 N8 O7 4.9696274 [ C31 H62 N8 O7, mfg=92.66, overall=92.66 ] (659.48175, 67794.71)(660.4846, 21180.72)(661.4873, 2162.4004) 35 658.4744 C31 H62 N8 O7 + C21 H11 N2 O23 4.968752 [ C21 H11 N2 O23, mfg=79.17, overall=79.17 ] (659.9833, 47263.51)(660.98627, 6452.491)(661.97424, 865.3393) 34 658.976 C21 H11 N2 O23 + C6 H14 N O9 4.977687 [ C6 H14 N O9, mfg=95.05, overall=95.05 ] (245.07436, 18985.28)(246.07793, 1888.3835)(247.07877, 930.104) 34 244.0671 C6 H14 N O9 + 345.2153@4.971185 4.971185 (346.2225, 5378.259)(347.22537, 1407.7207)(348.2291, 785.74) 27 345.2153 345.2153@4.971185 + 678.9873@4.979417 4.979417 (679.99445, 2411.9358)(680.997, 1093.4978) 14 678.9873 678.9873@4.979417 + 188.0951@4.982075 4.982075 (189.1025, 13096.874)(190.10713, 2185.0706) 23 188.0951 188.0951@4.982075 + 240.1265@4.983554 4.983554 (241.13376, 6015.5034)(242.1371, 1269.2943) 14 240.1265 240.1265@4.983554 + 300.2413@4.9860396 4.9860396 (301.24866, 1862.8092)(302.24432, 644.33) 12 300.2413 300.2413@4.9860396 + 305.1838@4.9834924 4.9834924 (306.19098, 3765.5312)(307.1944, 865.398)(308.1957, 699.24) 18 305.1838 305.1838@4.9834924 + C9 H21 N O3 + 5.001351 5.001351 [ C9 H21 N O3, mfg=84.30, overall=84.30 ] (192.15932, 17025.096)(193.16275, 2091.0928)(194.15802, 1010.5664)(174.14845, 1056.37)(214.14165, 2507.2434)(215.14233, 1083.02) 36 191.1521 C9 H21 N O3 + 5.001351 + C31 H66 N O12 5.0015306 [ C31 H66 N O12, mfg=92.56, overall=92.56 ] (645.46606, 47136.668)(646.4689, 13921.6045)(647.47174, 1527.1116) 36 644.4586 C31 H66 N O12 + C20 H9 N2 O23 5.0013895 [ C20 H9 N2 O23, mfg=79.10, overall=79.10 ] (645.9676, 33902.04)(646.9704, 4518.799)(647.95685, 911.8367) 37 644.9605 C20 H9 N2 O23 + C15 H33 N S2 5.0087 [ C15 H33 N S2, mfg=89.50, overall=89.50 ] (292.21182, 8646.535)(293.21384, 1798.8219)(294.2123, 833.89435)(274.20044, 1081.005) 36 291.2045 C15 H33 N S2 + 664.9712@5.0009155 5.0009155 (665.9788, 2375.4915)(666.9823, 991.8633) 6 664.9712 664.9712@5.0009155 + C10 H23 N O + 5.0181203 5.0181203 [ C10 H23 N O, mfg=78.17, overall=78.17 ] (174.18521, 5075.142)(175.18843, 901.33)(196.16791, 891.5) 30 173.1778 C10 H23 N O + 5.0181203 + C23 H47 N8 O8 5.024722 [ C23 H47 N8 O8, mfg=95.42, overall=95.42 ] (564.35846, 22212.355)(565.36053, 6597.9287)(566.3632, 2024.7363)(567.366, 607.17) 25 563.3512 C23 H47 N8 O8 + 770.9707@5.015635 5.015635 (771.9783, 2119.7942)(772.9817, 630.61005) 12 770.9707 770.9707@5.015635 + 667.9754@5.043169 5.043169 (668.98315, 2462.9849) 2 667.9754 667.9754@5.043169 + 199.1322@5.0518208 5.0518208 (200.13951, 9557.924)(201.1415, 1423.48)(202.1433, 620.4)(182.1291, 1034.47) 26 199.1322 199.1322@5.0518208 + Hypoglycin 5.0487785 C08287 Hypoglycin [ C7 H11 N O2, mfg=76.98, db=76.97, overall=76.98, CAS ID=156-56-9, KEGG ID=C08287, METLIN ID=66886 ] 156-56-9 (142.08649, 12302.129)(143.08734, 1419.5734)(124.075, 2370.27) 18 141.0791 Hypoglycin + N-dodecanoyl-L-Homoserine lactone 5.046059 N-dodecanoyl-L-Homoserine lactone [ C16 H29 N O3, mfg=47.22, db=38.93, overall=43.07, CAS ID=137173-46-7, METLIN ID=64717 ] 137173-46-7 (301.24823, 2400.0403)(302.2433, 789.87744) 24 300.2408 N-dodecanoyl-L-Homoserine lactone + 623.3822@5.054364 5.054364 (624.3899, 2286.175) 2 623.3822 623.3822@5.054364 + C22 H17 O23 S 5.065538 [ C22 H17 O23 S, mfg=75.99, overall=75.99 ] (681.9962, 54238.887)(682.99927, 7879.6934)(683.9877, 956.87427)(684.9736, 168.68) 37 680.9893 C22 H17 O23 S + 1343.9457@5.070957 5.070957 (1344.9534, 1306.29)(1345.9548, 985.2) 2 1343.9457 1343.9457@5.070957 + C24 H54 N23 O 5.0692244 [ C24 H54 N23 O, mfg=96.56, overall=96.56 ] (681.49457, 70266.234)(682.498, 24192.793)(683.5004, 2476.818) 37 680.4875 C24 H54 N23 O + 321.2148@5.076749 5.076749 (322.22223, 2451.6692)(323.22375, 890.57) 12 321.2148 321.2148@5.076749 + C14 H29 N O5 5.0805507 [ C14 H29 N O5, mfg=98.83, overall=98.83 ] (292.2118, 29207.445)(293.2148, 4900.68)(294.21542, 1042.463)(314.1945, 1279.2078)(315.1909, 751.27) 37 291.2045 C14 H29 N O5 + 228.09@5.0904455 5.0904455 (229.0974, 7983.6157)(230.10085, 1531.5839)(246.1252, 779.08) 17 228.09 228.09@5.0904455 + 622.3806@5.0934644 5.0934644 (623.3878, 6073.278)(624.3905, 2186.8884) 26 622.3806 622.3806@5.0934644 + C21 H15 O23 S 5.0964646 [ C21 H15 O23 S, mfg=76.58, overall=76.58 ] (667.9806, 35051.04)(668.98376, 4991.451)(669.9716, 800.9843) 37 666.9736 C21 H15 O23 S + C23 H52 N23 O 5.0960326 [ C23 H52 N23 O, mfg=96.27, overall=96.27 ] (667.4788, 47156.438)(668.48224, 15342.97)(669.48456, 1478.8555) 37 666.4718 C23 H52 N23 O + 686.9838@5.093093 5.093093 (687.9916, 1761.762)(688.99445, 983.11755)(705.0114, 2583.42) 10 686.9838 686.9838@5.093093 + C29 H53 N17 O5 5.1141596 [ C29 H53 N17 O5, mfg=73.81, overall=36.91 ] (719.4454, 5153.564)(720.4487, 2118.3394)(721.451, 649.18) 28 718.4383 C29 H53 N17 O5 + 85.0891@5.156 5.156 (86.0964, 5230.84)(87.0952, 844.05) 1 85.0891 85.0891@5.156 + C32 H60 N15 O3 5.160059 [ C32 H60 N15 O3, mfg=93.70, overall=93.70 ] (703.5078, 67578.73)(704.5111, 24501.635)(705.51337, 2407.9072) 37 702.5006 C32 H60 N15 O3 + 814.4953@5.167065 5.167065 (815.5034, 1210.3513)(816.5047, 969.3333) 7 814.4953 814.4953@5.167065 + C23 H15 N2 O24 5.159332 [ C23 H15 N2 O24, mfg=78.25, overall=78.25 ] (704.00964, 52830.66)(705.0124, 8073.73)(706.0003, 1046.5803)(706.9876, 253.52) 37 703.0022 C23 H15 N2 O24 + 133.1101@5.177 5.177 (267.2276, 1307.09)(134.1174, 502817.8)(135.1206, 35558.59)(136.1223, 2683.67) 1 133.1101 133.1101@5.177 + C31 H58 N15 O3 5.1840363 [ C31 H58 N15 O3, mfg=94.24, overall=94.24 ] (689.4922, 42532.29)(690.49536, 14861.491)(691.4978, 1535.5283) 37 688.485 C31 H58 N15 O3 + C22 H13 N2 O24 5.1843877 [ C22 H13 N2 O24, mfg=79.03, overall=79.03 ] (689.994, 32462.865)(690.9965, 4920.825)(691.9847, 899.4692) 37 688.9867 C22 H13 N2 O24 + C11 H24 Cl N3 5.186977 [ C11 H24 Cl N3, mfg=43.97, overall=43.97 ] (234.16986, 4035.2832)(235.17383, 920.15497)(236.1667, 795.63) 25 233.1626 C11 H24 Cl N3 + 814.495@5.196 5.196 (815.5023, 1054.8) 1 814.495 814.495@5.196 + 173.1781@5.1770782 5.1770782 (174.18552, 3440.1587)(175.18881, 792.005) 11 173.1781 173.1781@5.1770782 + C25 H51 N8 O9 5.211668 [ C25 H51 N8 O9, mfg=95.20, overall=95.20 ] (608.3849, 16226.136)(609.38715, 5037.022)(610.38916, 1722.9141)(611.392, 327.95) 26 607.3778 C25 H51 N8 O9 + 740.9528@5.207037 5.207037 (741.96014, 3139.3127)(742.96356, 980.31006) 11 740.9528 740.9528@5.207037 + 11-amino-undecanoic acid + 5.2308316 5.2308316 C19325 11-amino-undecanoic acid [ C11 H23 N O2, mfg=80.03, db=80.00, overall=80.02, KEGG ID=C19325, METLIN ID=35923 ] (202.17981, 8614.88)(203.18266, 1511.9889) 36 201.1725 11-amino-undecanoic acid + 5.2308316 + Compound III(S) 5.207351 C06495 Compound III(S) [ C22 H30 N2 O3, mfg=47.53, db=67.59, overall=57.56, KEGG ID=C06495, METLIN ID=66417 ] (741.4583, 3599.5732)(742.46246, 1507.3889) 22 740.4511 Compound III(S) + C26 H58 N23 O2 5.2472506 [ C26 H58 N23 O2, mfg=97.01, overall=97.01 ] (725.52124, 57859.188)(726.524, 21066.033)(727.52673, 2246.1548) 37 724.5137 C26 H58 N23 O2 + C25 H17 N4 O20 S 5.2475204 [ C25 H17 N4 O20 S, mfg=74.21, overall=74.21 ] (726.0229, 46307.63)(727.0255, 7152.5913)(728.01483, 919.70447) 37 725.0155 C25 H17 N4 O20 S + 745.0262@5.253679 5.253679 (746.0342, 1888.07)(747.03406, 1084.982) 6 745.0262 745.0262@5.253679 + C25 H56 N23 O2 5.268475 [ C25 H56 N23 O2, mfg=97.21, overall=97.21 ] (711.5055, 35997.96)(712.50836, 12479.289)(713.51105, 1347.6511) 37 710.4982 C25 H56 N23 O2 + C23 H19 O24 S 5.2683926 [ C23 H19 O24 S, mfg=74.92, overall=74.92 ] (712.0072, 28227.648)(713.00977, 4453.5693)(713.99725, 832.91724) 37 710.9997 C23 H19 O24 S + 877.5615@5.267594 5.267594 (878.56805, 3940.4465)(879.57135, 2265.622)(880.57806, 1058.8566) 14 877.5615 877.5615@5.267594 + 666.9085@5.2892838 5.2892838 (667.9155, 2758.5063)(668.9197, 801.35) 11 666.9085 666.9085@5.2892838 + 273.1784@5.2903056 5.2903056 (274.18683, 4425.42)(275.1876, 933.53) 3 273.1784 273.1784@5.2903056 + 762.4648@5.2920604 5.2920604 (763.47186, 2384.3396)(764.47485, 1158.3274) 17 762.4648 762.4648@5.2920604 + 851.5456@5.2919173 5.2919173 (852.5534, 2690.266)(853.55725, 1556.6172) 8 851.5456 851.5456@5.2919173 + 853.5618@5.296188 5.296188 (854.56903, 17894.514)(855.57227, 9800.999)(856.57806, 4960.7505)(857.5853, 2868.85)(876.549, 1387.7476)(877.5523, 912.51166) 23 853.5618 853.5618@5.296188 + 891.5897@5.31 5.31 (892.5969, 923.78)(893.6082, 776.47) 1 891.5897 891.5897@5.31 + 503.6948@5.332616 5.332616 (504.70193, 7227.344)(505.70435, 905.56) 31 503.6948 503.6948@5.332616 + C16 H41 N17 O2 5.3302794 [ C16 H41 N17 O2, mfg=72.73, overall=72.73 ] (504.36734, 9361.79)(505.3783, 2110.53) 27 503.3598 C16 H41 N17 O2 + C34 H64 N15 O4 5.3305264 [ C34 H64 N15 O4, mfg=93.88, overall=93.88 ] (747.5341, 41126.71)(748.53723, 16145.093)(749.53986, 1811.5818) 37 746.5267 C34 H64 N15 O4 + C25 H19 N2 O25 5.330904 [ C25 H19 N2 O25, mfg=78.58, overall=78.58 ] (748.03564, 33880.31)(749.03876, 5834.603)(750.0271, 801.1908)(770.0145, 976.86) 37 747.0286 C25 H19 N2 O25 + 863.5663@5.32295 5.32295 (864.5765, 8158.573)(865.5795, 4270.021)(866.5875, 12683.025)(867.5903, 10370.258)(868.59955, 4865.7)(869.6018, 364.91)(886.5515, 768.39)(887.5546, 718.21) 15 863.5663 863.5663@5.32295 + C14 H12 N3 O17 5.3476806 [ C14 H12 N3 O17, mfg=77.04, overall=77.04 ] (495.02377, 5296.271)(496.02637, 1104.6887) 29 494.0164 C14 H12 N3 O17 + 494.3508@5.345801 5.345801 (495.35825, 5112.2017)(496.36304, 657.495) 14 494.3508 494.3508@5.345801 + C24 H17 N2 O25 5.347922 [ C24 H17 N2 O25, mfg=79.65, overall=79.65 ] (734.01996, 20153.668)(735.02325, 3463.953)(736.0119, 677.0467) 37 733.0129 C24 H17 N2 O25 + C33 H62 N15 O4 5.3479204 [ C33 H62 N15 O4, mfg=94.02, overall=94.02 ] (733.5184, 26651.273)(734.52136, 9666.472)(735.5233, 1205.0154) 37 732.5112 C33 H62 N15 O4 + 328.3085@5.349306 5.349306 (329.31573, 3758.2573)(330.319, 1368.0033) 13 328.3085 328.3085@5.349306 + C11 H11 N3 O S 5.347554 [ C11 H11 N3 O S, mfg=79.43, overall=79.43 ] (234.06975, 5436.975)(235.07257, 1288.0017)(236.0666, 809.33997) 25 233.0622 C11 H11 N3 O S + 688.4194@5.353549 5.353549 (689.4268, 2824.0513)(690.4306, 1311.3124) 13 688.4194 688.4194@5.353549 + L-Pipecolic acid 5.3569207 C00408 L-Pipecolic acid [ C6 H11 N O2, mfg=80.75, db=80.75, overall=80.75, CAS ID=3105-95-1, KEGG ID=C00408, METLIN ID=63100 ] 3105-95-1 (259.1672, 929.52)(130.08653, 27328.273)(131.08777, 2532.5706) 26 129.0791 L-Pipecolic acid + 201.1723@5.359742 5.359742 (202.17978, 5833.979)(203.18246, 1187.726) 7 201.1723 201.1723@5.359742 + 893.591@5.350523 5.350523 (894.5988, 3723.438)(895.6027, 2153.0012)(896.6079, 1358.2051)(897.6106, 1402.29)(916.5738, 985.06) 10 893.591 893.591@5.350523 + PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) 5.3751197 C02737 PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) [ C46 H80 N O10 P, db=64.26, overall=64.26, KEGG ID=C02737, HMP ID=HMDB10166, METLIN ID=61543 ] (838.55865, 45740.273)(839.5622, 22787.494)(840.5716, 18492.469)(841.5764, 9125.585)(820.55273, 5908.975)(821.5518, 2902.625)(855.579, 808.81)(860.5418, 11226.76)(861.5458, 6782.355)(862.55316, 8077.304)(863.5579, 5921.91) 26 837.5518 PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) HMDB10166 + 895.6024@5.37576 5.37576 (896.6067, 8918.267)(897.6099, 4856.8564)(898.6125, 5855.7344)(899.6155, 2389.415) 15 895.6024 895.6024@5.37576 + 795.5412@5.3993897 5.3993897 (796.5524, 19998.672)(797.5564, 10137.708)(798.56464, 129412.35)(799.56793, 65255.785)(800.5795, 98613.1) 18 795.5412 795.5412@5.3993897 + 923.6296@5.3771763 5.3771763 (924.6402, 2234.5576)(925.64465, 1287.6311)(926.6501, 1141.295) 9 923.6296 923.6296@5.3771763 + 851.544@5.4117327 5.4117327 (852.54553, 11399.994)(853.54926, 6202.3003)(854.5542, 23162.385)(855.558, 11279.199)(856.57025, 31916.826) 29 851.544 851.544@5.4117327 + 115.0996@5.371853 5.371853 (116.106834, 14299.567)(117.10977, 2250.3623) 6 115.0996 115.0996@5.371853 + 972.5038@5.372 5.372 (973.5158, 956.26)(974.5133, 683.34)(975.5381, 536.0)(990.5351, 1341.83)(991.5494, 846.0) 1 972.5038 972.5038@5.372 + 1031.5066@5.387387 5.387387 (1032.5139, 1317.112)(1033.5162, 824.15765)(1034.5333, 577.67) 14 1031.5066 1031.5066@5.387387 + 928.5479@5.404803 5.404803 (929.5542, 4323.7437)(930.5635, 5359.33)(931.5665, 2412.28) 3 928.5479 928.5479@5.404803 + 835.5365@5.416941 5.416941 (836.54376, 19814.258)(837.54694, 10009.901)(838.5563, 51514.17)(839.55945, 24199.543)(840.5725, 65586.695) 18 835.5365 835.5365@5.416941 + 899.6345@5.401823 5.401823 (900.64166, 5067.4746)(901.6453, 2824.6912)(902.6531, 2781.7717)(903.65717, 1381.4386)(904.67163, 546.395)(922.6269, 885.92) 25 899.6345 899.6345@5.401823 + 871.6011@5.411217 5.411217 (872.6085, 21397.97)(873.61194, 10798.758)(874.624, 25939.516)(875.62756, 14311.687)(876.6426, 51082.05) 25 871.6011 871.6011@5.411217 + 927.5896@5.4006057 5.4006057 (928.59625, 3724.4666)(929.5955, 2202.9756)(930.5783, 2664.065)(931.5734, 1719.59)(932.5713, 894.65) 11 927.5896 927.5896@5.4006057 + 825.5152@5.4102583 5.4102583 (826.5358, 11452.115)(827.53937, 6834.6426) 18 825.5152 825.5152@5.4102583 + 885.6064@5.3994694 5.3994694 (886.61536, 1824.685)(887.61334, 1012.06244)(888.6207, 24564.9)(889.6237, 13387.54)(890.6373, 73897.22) 4 885.6064 885.6064@5.3994694 + 862.6045@5.378008 5.378008 (863.6128, 19506.031) 2 862.6045 862.6045@5.378008 + 913.6134@5.421112 5.421112 (914.6224, 1939.2399)(915.6251, 1330.2761)(916.63855, 1755.058)(917.6508, 1202.34)(918.6629, 1915.24)(896.6098, 15692.68)(897.6127, 8302.28) 6 913.6134 913.6134@5.421112 + 879.5751@5.337677 5.337677 (880.5778, 4605.1313)(881.5839, 2125.275)(882.5908, 3612.125)(883.58936, 3161.77)(884.5966, 3806.32) 8 879.5751 879.5751@5.337677 + 975.5235@5.405465 5.405465 (976.5388, 1025.865)(977.54236, 830.95)(978.5469, 1227.52)(979.5374, 437.36) 2 975.5235 975.5235@5.405465 + 959.5808@5.4262757 5.4262757 (960.5868, 2573.307)(961.59045, 1176.8201) 7 959.5808 959.5808@5.4262757 + 853.559@5.39746 5.39746 (854.5636, 34470.11)(855.5672, 18446.062)(856.5793, 30773.234)(857.5839, 15301.93)(858.588, 12802.03)(836.5429, 20078.75)(837.5467, 9895.96)(876.5353, 4518.15)(877.5353, 2608.76) 16 853.559 853.559@5.39746 + 890.6335@5.3862967 5.3862967 (891.6406, 29500.572)(892.6515, 33157.8) 3 890.6335 890.6335@5.3862967 + 931.6235@5.390247 5.390247 (932.6305, 4676.9033)(933.63135, 2681.578)(934.64374, 2754.6414)(935.64856, 1043.98)(936.6597, 285.95)(954.61536, 977.0)(955.6214, 959.42)(956.6309, 2752.72)(957.6353, 2031.66)(958.6394, 1130.08) 11 931.6235 931.6235@5.390247 + 917.5314@5.379 5.379 (918.5387, 3346.67)(919.5416, 2293.88)(920.5577, 5138.82)(921.562, 2689.59)(922.5594, 4790.31) 1 917.5314 917.5314@5.379 + 854.0602@5.3853827 5.3853827 (855.06464, 1396.48)(856.0737, 1093.2001)(837.0523, 763.77)(838.0502, 821.57) 4 854.0602 854.0602@5.3853827 + 952.5506@5.38 5.38 (953.5579, 1730.02) 1 952.5506 952.5506@5.38 + 839.5664@5.4207163 5.4207163 (840.5725, 40113.574)(841.5755, 19697.744)(842.59, 64574.77)(843.593, 31531.83)(844.6032, 34463.312)(822.5564, 39269.04)(823.5598, 15348.0)(824.5725, 14704.21)(825.5766, 4414.25) 9 839.5664 839.5664@5.4207163 + 991.5629@5.387059 5.387059 (992.5605, 1086.41) 2 991.5629 991.5629@5.387059 + 891.5267@5.399158 5.399158 (892.5386, 9926.843)(893.54376, 5291.3774)(894.5458, 7019.1973)(895.5477, 3305.2324)(896.55096, 17978.607) 4 891.5267 891.5267@5.399158 + 1306.8116@5.382 5.382 (1307.819, 800.02)(1308.8135, 903.69)(1309.8251, 802.53) 1 1306.8116 1306.8116@5.382 + 827.0375@5.3859787 5.3859787 (828.0463, 3389.183) 7 827.0375 827.0375@5.3859787 + 1295.3125@5.383 5.383 (1296.3197, 1197.78)(1297.3287, 797.35)(1298.3322, 629.79) 1 1295.3125 1295.3125@5.383 + 867.5254@5.4053097 5.4053097 (868.53375, 9199.108)(869.5372, 4858.6074)(870.548, 22961.668)(871.5507, 10726.088)(872.5572, 19184.264)(873.5645, 9206.92)(874.5772, 14847.21) 22 867.5254 867.5254@5.4053097 + 923.524@5.427785 5.427785 (924.5349, 3913.139)(925.5403, 2024.2999)(926.54004, 3305.2603)(927.54144, 1274.1366)(928.551, 8644.43) 9 923.524 923.524@5.427785 + 912.5275@5.3988266 5.3988266 (913.531, 3948.1018)(914.5395, 2921.6875)(915.5465, 1829.0465)(916.5395, 369.45)(930.5609, 1586.37)(931.5587, 1005.83)(932.5591, 928.11)(933.571, 0.0) 16 912.5275 912.5275@5.3988266 + 938.5374@5.4056354 5.4056354 (939.5473, 2464.2725)(940.5506, 2269.225)(941.5572, 1833.73)(956.5717, 1151.16) 12 938.5374 938.5374@5.4056354 + 905.5633@5.4198027 5.4198027 (906.57025, 19572.05)(907.57367, 10054.787)(908.56744, 6140.633)(909.5695, 4042.398)(888.5599, 11527.07)(889.5624, 6372.38)(928.5514, 5995.363)(929.55206, 3338.4143)(930.56146, 4832.525)(931.5716, 1996.495)(932.5674, 4226.01) 14 905.5633 905.5633@5.4198027 + 1292.331@5.412461 5.412461 (1293.3369, 1057.735)(1294.3306, 1242.895)(1295.3231, 1068.55)(1275.3286, 1116.37)(1276.3345, 1270.49)(1277.3369, 957.82)(1315.3171, 804.64)(1316.3097, 619.48) 2 1292.331 1292.331@5.412461 + 789.5577@5.3970346 5.3970346 (790.569, 35948.85)(791.57245, 19884.396)(812.5454, 10756.59)(813.5488, 5254.74)(814.5599, 26586.73)(815.5617, 14186.73)(816.5749, 23534.82)(817.5801, 6642.25) 7 789.5577 789.5577@5.3970346 + 897.5745@5.414691 5.414691 (898.57336, 9141.673)(899.5774, 4686.2305)(900.5773, 4041.5613)(901.5896, 1558.77)(920.555, 2273.58)(921.5563, 1613.72)(922.5571, 4226.74)(923.5593, 2335.7)(924.5612, 2000.09) 13 897.5745 897.5745@5.414691 + 761.5345@5.391125 5.391125 (762.54156, 1737.975)(763.5433, 939.1439) 6 761.5345 761.5345@5.391125 + 929.562@5.4255886 5.4255886 (930.56946, 4381.7227)(931.5691, 2043.635)(932.5721, 1752.975) 4 929.562 929.562@5.4255886 + 1292.8235@5.389 5.389 (1293.832, 1097.26)(1294.8219, 1165.0)(1295.826, 1175.64)(1296.8229, 423.98)(1297.825, 622.55)(1315.8105, 732.76)(1316.8105, 803.92) 1 1292.8235 1292.8235@5.389 + 1289.3254@5.4159594 5.4159594 (1290.3259, 1016.58997)(1291.325, 1047.53)(1292.334, 972.40497) 2 1289.3254 1289.3254@5.4159594 + 902.5353@5.417975 5.417975 (903.54266, 8321.598)(904.5545, 6639.05)(905.55585, 3301.5266) 4 902.5353 902.5353@5.417975 + 1692.1049@5.391 5.391 (1693.112, 855.44)(1694.1058, 858.17)(1695.1093, 748.81) 1 1692.1049 1692.1049@5.391 + 862.0466@5.391 5.391 (863.0538, 1011.16)(864.0637, 678.56) 1 862.0466 862.0466@5.391 + 814.5514@5.3937287 5.3937287 (1647.121, 1364.37)(1648.1241, 2400.98)(815.55927, 26970.045)(816.5704, 1531.4)(817.5737, 1083.1)(832.5848, 697080.1)(833.5888, 369593.44) 7 814.5514 814.5514@5.3937287 + 841.0532@5.395459 5.395459 (842.06067, 5216.5874)(843.0678, 6503.205)(844.0742, 2359.265)(845.0776, 836.46497) 19 841.0532 841.0532@5.395459 + 1243.8312@5.401798 5.401798 (1244.8394, 3402.38)(1245.8468, 4731.9253)(1246.8524, 2802.0867) 13 1243.8312 1243.8312@5.401798 + 811.5375@5.417782 5.417782 (812.5469, 39372.37)(813.5501, 18221.873)(814.5587, 116834.984)(815.5618, 54606.76)(816.5753, 380388.78) 7 811.5375 811.5375@5.417782 + 803.5463@5.4215713 5.4215713 (1608.0961, 1568.69)(1609.1, 1765.98)(1610.1101, 8040.2)(1611.1134, 8367.09)(804.5534, 170569.8)(805.55707, 88128.29)(806.56836, 609013.56)(826.53625, 21111.064)(827.5407, 13628.298) 17 803.5463 803.5463@5.4215713 + 1256.8273@5.4432855 5.4432855 (1257.8384, 1314.3687)(1258.8436, 1476.2942)(1259.8406, 1521.75)(1260.8291, 1267.2949)(1261.8324, 1989.02)(1279.8351, 1999.83)(1280.8344, 1616.5)(1281.8326, 1552.41) 8 1256.8273 1256.8273@5.4432855 + 1298.8173@5.4012275 5.4012275 (1299.8208, 917.44336)(1300.8262, 891.29663)(1301.8303, 804.70496)(1302.8169, 547.68) 3 1298.8173 1298.8173@5.4012275 + 1287.3281@5.4259815 5.4259815 (1288.3286, 832.9167)(1289.3328, 653.85)(1290.3301, 718.91504) 3 1287.3281 1287.3281@5.4259815 + 869.5419@5.4133444 5.4133444 (870.5472, 21521.928)(871.5505, 9302.147)(872.5596, 18551.076)(873.56305, 7991.53)(874.57465, 8980.85)(892.536, 5760.875)(893.5403, 3149.53)(894.5426, 3765.71)(895.5417, 1664.58) 21 869.5419 869.5419@5.4133444 + 873.5731@5.4059563 5.4059563 (874.5775, 24590.86)(875.58215, 12484.883)(876.5874, 6716.899)(877.5918, 1153.3068)(896.5597, 19804.33)(897.56476, 11978.554)(898.5773, 14229.23)(899.5806, 6883.07)(900.5871, 2905.22) 17 873.5731 873.5731@5.4059563 + C19 H46 N14 O S 5.4045215 [ C19 H46 N14 O S, mfg=72.66, overall=72.66 ] (519.3773, 8283.256)(520.37964, 880.2746)(521.379, 875.255) 30 518.3701 C19 H46 N14 O S + 843.5189@5.414209 5.414209 (844.52905, 42908.98)(845.53265, 21770.959)(846.54474, 32198.422)(847.55023, 15326.666)(848.56964, 10735.205)(849.5752, 2298.1199)(850.5906, 8340.75) 27 843.5189 843.5189@5.414209 + 1230.3232@5.405405 5.405405 (1231.3306, 8293.264)(1232.3356, 19104.62)(1233.3438, 14083.39)(1248.3547, 854.17)(1249.3326, 886.06) 13 1230.3232 1230.3232@5.405405 + 847.5573@5.4142003 5.4142003 (848.5675, 37541.71)(849.5707, 17167.855)(850.5828, 120097.26)(851.5852, 59033.156)(852.5846, 20170.86)(853.58734, 5086.37)(870.5459, 25079.719)(871.54944, 12492.835)(872.5624, 35351.34)(873.5659, 15661.22) 13 847.5573 847.5573@5.4142003 + 1270.825@5.4282417 5.4282417 (1271.8328, 1171.5901)(1272.8293, 1113.3975)(1273.8285, 1455.3099)(1274.8269, 1534.9551)(1275.83, 1472.29) 4 1270.825 1270.825@5.4282417 + C16 H10 N10 O9 S 5.403928 [ C16 H10 N10 O9 S, mfg=70.22, overall=70.22 ] (519.0429, 10144.691)(520.04565, 1663.9047) 34 518.0356 C16 H10 N10 O9 S + 938.6711@5.408378 5.408378 (939.67804, 2079.107)(940.6801, 1341.0054)(941.68774, 865.8122) 13 938.6711 938.6711@5.408378 + 818.0616@5.4779644 5.4779644 (1659.1125, 683.0025)(1660.1162, 682.395)(819.0685, 7012.023)(820.0751, 3976.4614)(821.0803, 1795.2162)(822.0798, 749.13)(801.0546, 954.88) 21 818.0616 818.0616@5.4779644 + 857.5869@5.411891 5.411891 (858.592, 17289.736)(859.5964, 7849.6)(860.61096, 16360.742)(861.61523, 8108.863)(862.61456, 10824.667) 10 857.5869 857.5869@5.411891 + 863.6154@5.41994 5.41994 (864.621, 232818.3)(865.6242, 134643.47)(866.6319, 75623.164)(867.63776, 26759.945)(886.59766, 3306.075)(887.59265, 1730.34)(888.6037, 4351.75) 31 863.6154 863.6154@5.41994 + 1248.3278@5.420753 5.420753 (1249.3394, 1820.4551)(1250.3352, 1677.45)(1251.3356, 1671.6599) 2 1248.3278 1248.3278@5.420753 + 769.0414@5.4056253 5.4056253 (770.0488, 20208.74)(771.05194, 3623.0876)(772.04474, 804.0742)(792.0287, 694.45) 36 769.0414 769.0414@5.4056253 + Sulfathalidine 5.4071345 C07659 Sulfathalidine [ C17 H13 N3 O5 S2, db=19.74, overall=19.74, CAS ID=85-73-4, KEGG ID=C07659, METLIN ID=66706 ] 85-73-4 (829.0533, 20077.793)(830.05914, 10417.23)(831.0675, 4588.0317) 21 828.046 Sulfathalidine + 1279.3298@5.419117 5.419117 (1280.3315, 1297.2567)(1281.331, 1005.39996)(1282.3281, 1008.1434)(1262.3267, 2139.87)(1263.332, 2053.92)(1264.3324, 1699.08) 3 1279.3298 1279.3298@5.419117 + 1264.3181@5.4135327 5.4135327 (1265.3278, 1676.5973)(1266.3304, 2080.1318)(1267.3345, 1817.2516) 7 1264.3181 1264.3181@5.4135327 + 899.5172@5.416102 5.416102 (900.5242, 5444.4233)(901.5303, 2769.6812)(902.5394, 12206.45)(903.54254, 6616.995)(904.5541, 5775.01)(917.5449, 1133.16)(922.5074, 1373.64) 8 899.5172 899.5172@5.416102 + 1244.8387@5.4512954 5.4512954 (1245.842, 3933.4424)(1246.8468, 3072.654)(1247.8496, 2003.2145)(1248.8405, 1272.21)(1249.8363, 427.94)(1262.8606, 829.445)(1267.8242, 748.25) 19 1244.8387 1244.8387@5.4512954 + 1264.8195@5.409453 5.409453 (1265.8275, 2299.0974)(1266.8331, 2089.3499)(1267.8375, 1736.3573)(1268.8392, 785.115) 12 1264.8195 1264.8195@5.409453 + 1659.118@5.411211 5.411211 (1660.1245, 1750.04)(1661.1287, 1837.1675)(1662.138, 2756.1362)(1663.1412, 2700.6167)(1664.1465, 2412.8066)(1665.1449, 1445.5233)(1666.147, 1381.38)(1682.1141, 562.6)(1683.1202, 797.1)(1684.1127, 633.73) 8 1659.118 1659.118@5.411211 + 844.5998@5.4071827 5.4071827 (845.6062, 17823.273) 2 844.5998 844.5998@5.4071827 + 870.5451@5.423804 5.423804 (871.5526, 17416.658)(872.5591, 26414.023)(873.56256, 11528.36) 5 870.5451 870.5451@5.423804 + 875.5265@5.4249864 5.4249864 (876.5314, 6951.489)(877.5357, 3388.8838)(878.5406, 18800.89)(879.5438, 10597.516) 8 875.5265 875.5265@5.4249864 + 1261.8206@5.404 5.404 (1262.8278, 1868.37)(1263.8313, 1442.74)(1264.8323, 1541.22) 1 1261.8206 1261.8206@5.404 + 1244.3376@5.430703 5.430703 (1245.3424, 4060.1655)(1246.3466, 4009.0305)(1247.3506, 2682.7754)(1248.3464, 1157.2521)(1249.3496, 1258.89) 22 1244.3376 1244.3376@5.430703 + 815.038@5.411769 5.411769 (816.04565, 4755.4556) 11 815.038 815.038@5.411769 + 901.5313@5.420267 5.420267 (902.5397, 17063.533)(903.54236, 7511.805)(904.55176, 12163.9)(905.5584, 1472.76)(924.5228, 7268.55)(925.5276, 4084.88) 5 901.5313 901.5313@5.420267 + 1646.6102@5.398155 5.398155 (1647.619, 1406.655)(1648.624, 2232.6902)(1649.6284, 1792.2051)(1669.6118, 843.51) 4 1646.6102 1646.6102@5.398155 + 1674.1064@5.42346 5.42346 (1675.1184, 954.72)(1676.1149, 1010.74)(1677.1147, 1076.055)(1678.1179, 1347.82)(1679.1177, 1128.7351) 2 1674.1064 1674.1064@5.42346 + 1230.8256@5.412445 5.412445 (1231.833, 10653.715)(1232.8387, 9651.115)(1233.846, 7221.1904)(1234.8514, 4551.58) 17 1230.8256 1230.8256@5.412445 + 768.5401@5.4100933 5.4100933 (769.54895, 27040.95)(770.55133, 11604.098)(771.55273, 1911.1901)(786.5816, 3485.3901) 26 768.5401 768.5401@5.4100933 + 1217.8156@5.4138885 5.4138885 (1218.825, 3508.021)(1235.8453, 2448.14)(1236.8358, 2233.57)(1237.8414, 2733.83) 8 1217.8156 1217.8156@5.4138885 + 1648.1237@5.41 5.41 (1649.1309, 2753.0)(1650.1356, 2326.96)(1651.1302, 1609.11) 1 1648.1237 1648.1237@5.41 + 1231.3282@5.427134 5.427134 (1232.3358, 7611.5425)(1233.3408, 6514.7227)(1234.3452, 4708.173)(1235.3511, 3363.24)(1214.3342, 1030.86)(1215.3374, 1113.82)(1216.3406, 967.92) 22 1231.3282 1231.3282@5.427134 + 1634.6106@5.417453 5.417453 (1635.6177, 3057.765)(1636.625, 2889.365)(1637.6311, 2525.3699)(1638.638, 533.6) 2 1634.6106 1634.6106@5.417453 + 1636.1195@5.4301715 5.4301715 (1637.1318, 3395.053)(1638.1338, 3601.7617)(1639.1348, 2702.766)(1659.1289, 1451.62)(1660.1068, 1374.52)(1661.106, 1312.39) 7 1636.1195 1636.1195@5.4301715 + 845.5428@5.417988 5.417988 (846.55023, 70698.41)(847.5543, 34578.965)(848.56464, 45635.48)(849.5687, 15913.561)(850.58374, 77011.47)(863.5788, 2139.13)(868.53375, 19156.53)(869.537, 9689.788)(870.55054, 31881.617)(871.5537, 15530.985)(872.56256, 24899.871)(873.5656, 17410.84) 11 845.5428 845.5428@5.417988 + 994.5462@5.501793 5.501793 (995.5481, 1375.6334)(996.5461, 842.02) 3 994.5462 994.5462@5.501793 + 1250.8337@5.4267464 5.4267464 (1251.8383, 1610.9224)(1252.8329, 1460.4514)(1253.833, 1764.5742)(1254.8353, 1645.0366)(1255.838, 1301.21)(1273.8252, 1303.3033)(1274.8289, 1167.3867)(1275.829, 1079.7833)(1276.825, 731.74)(1277.831, 785.58) 9 1250.8337 1250.8337@5.4267464 + 1679.1188@5.413 5.413 (1680.126, 1535.0)(1681.1238, 1079.02)(1682.1289, 1219.33) 1 1679.1188 1679.1188@5.413 + 1611.1204@5.4751334 5.4751334 (1612.12, 10054.584)(1613.1226, 9044.898)(1614.1301, 5698.8896)(1615.1338, 6802.47) 8 1611.1204 1611.1204@5.4751334 + 1619.1127@5.4251633 5.4251633 (1620.1257, 2402.405)(1621.1202, 2231.3025)(1622.124, 3305.1523)(1623.128, 3757.9434)(1624.1388, 3220.84) 4 1619.1127 1619.1127@5.4251633 + 1643.1395@5.438276 5.438276 (1644.1349, 1548.5024)(1645.1428, 1389.8425)(1646.145, 1503.13)(1647.1265, 1377.8)(1648.1299, 2767.28) 4 1643.1395 1643.1395@5.438276 + 1649.6263@5.409816 5.409816 (1650.6351, 1507.145)(1651.6289, 1060.605)(1652.6124, 1095.86) 2 1649.6263 1649.6263@5.409816 + 805.5618@5.425995 5.425995 (1612.1217, 9050.8545)(1613.1279, 7710.312)(1614.1383, 9425.109)(1634.1094, 5858.003)(1635.1133, 6689.9956)(1636.1195, 6091.9277)(1637.1259, 4932.5186)(1638.1345, 3957.375)(806.5685, 2973058.5)(807.5721, 1516738.9)(808.5815, 1046378.6)(809.587, 440712.8)(828.5513, 260914.97)(829.5547, 139012.62)(830.56433, 113696.86)(831.5681, 40353.266) 32 805.5618 805.5618@5.425995 + 877.6301@5.4194245 5.4194245 (878.6396, 6391.1997)(879.64044, 2780.4438)(880.6245, 2653.29)(895.6644, 3461.78) 6 877.6301 877.6301@5.4194245 + 1218.3231@5.4252253 5.4252253 (1219.3303, 7086.3975)(1220.3351, 9129.585)(1221.3425, 6551.799) 20 1218.3231 1218.3231@5.4252253 + 763.5511@5.433238 5.433238 (764.55505, 6927.6245)(765.55756, 3675.4348)(766.55505, 8068.4297)(767.5769, 7453.74) 28 763.5511 763.5511@5.433238 + 811.7321@5.415 5.415 (812.7394, 2881.49)(813.7473, 975.21) 1 811.7321 811.7321@5.415 + 815.5678@5.4253387 5.4253387 (1654.1249, 604.39)(816.5741, 191871.03)(817.57697, 87795.055)(818.5905, 258856.77)(819.5938, 111552.12)(820.5969, 39202.54)(821.5994, 11695.94)(798.5636, 25986.75)(799.5665, 14553.81)(838.5552, 72121.625)(839.5588, 35657.684)(840.5727, 129102.57)(841.5763, 62358.51) 20 815.5678 815.5678@5.4253387 + 1235.325@5.417 5.417 (1236.3322, 2075.71)(1237.3429, 2323.49)(1238.3408, 2060.22) 1 1235.325 1235.325@5.417 + 755.0262@5.4209785 5.4209785 (756.03326, 11840.479)(757.036, 2070.8347)(758.0227, 923.31) 36 755.0262 755.0262@5.4209785 + 1651.1166@5.4276834 5.4276834 (1652.1257, 1261.476)(1653.1195, 1163.488)(1654.1238, 1179.396)(1655.1213, 941.515)(1656.1273, 675.6) 5 1651.1166 1651.1166@5.4276834 + 934.5255@5.4104376 5.4104376 (935.5421, 3180.618)(936.5575, 1987.4388)(937.5604, 1555.2026)(917.5355, 1225.11)(952.56604, 964.81)(953.5612, 816.11005)(954.5574, 738.48) 10 934.5255 934.5255@5.4104376 + 1219.3293@5.433595 5.433595 (1220.3362, 7874.0557)(1221.3423, 6649.7563)(1222.3492, 6365.1675)(1223.357, 3159.47) 10 1219.3293 1219.3293@5.433595 + 1218.8252@5.430441 5.430441 (1219.8319, 8398.579)(1220.837, 6708.85)(1221.8419, 4977.8745)(1222.8352, 1701.06)(1223.8242, 1502.2351) 22 1218.8252 1218.8252@5.430441 + 1621.6053@5.426571 5.426571 (1622.6136, 2456.8792)(1623.6184, 2721.0095)(1624.6226, 2385.5913)(1625.6241, 1596.5868)(1626.6271, 1080.62)(1627.6338, 621.8)(1628.6228, 854.93005)(1639.6301, 986.56)(1640.619, 889.1) 12 1621.6053 1621.6053@5.426571 + 1637.628@5.4338555 5.4338555 (1638.6311, 1280.708)(1639.6285, 1028.518)(1640.6246, 1009.3659)(1641.6136, 210.79)(1642.6138, 976.67)(1660.6162, 709.735)(1661.6216, 874.975)(1662.6191, 775.58997)(1663.6097, 0.0) 5 1637.628 1637.628@5.4338555 + 509.3601@5.416319 5.416319 (510.3674, 3073.9712) 9 509.3601 509.3601@5.416319 + 816.0461@5.437641 5.437641 (1633.1168, 713.2)(1650.1272, 1245.335)(1651.1254, 1180.98)(1652.1207, 1086.1433)(817.0525, 13245.773)(818.05945, 8297.799)(819.0586, 3750.8801)(839.0225, 2539.15) 24 816.0461 816.0461@5.437641 + 800.5761@5.4468293 5.4468293 (1624.1338, 4981.59)(1625.1403, 4747.08)(801.5788, 35783.883)(802.57947, 28883.355)(803.57117, 10928.93)(818.5956, 74769.14)(819.5984, 36849.75)(820.584, 67842.09)(821.5862, 32926.35)(822.5706, 37314.88) 5 800.5761 800.5761@5.4468293 + 822.5468@5.45273 5.45273 (1646.1085, 756.22)(1663.1263, 1200.22)(1664.1284, 1404.1)(1665.1346, 910.47)(1666.1405, 306.33)(823.55774, 54121.867)(824.5683, 22099.135)(825.5752, 7394.884)(845.5348, 18477.75) 13 822.5468 822.5468@5.45273 + 1654.1278@5.421685 5.421685 (1655.1277, 1654.505)(1656.1298, 1694.645)(1657.1307, 1488.495)(1658.1238, 1312.07)(1637.128, 2941.22)(1638.1345, 3709.71)(1639.1392, 2942.75)(1677.1134, 807.93)(1678.1184, 1077.29)(1679.1195, 1232.48)(1680.1188, 851.75) 2 1654.1278 1654.1278@5.421685 + 1639.148@5.4369884 5.4369884 (1640.1448, 3903.7427)(1641.1465, 3162.4243)(1642.1455, 2561.2756)(1643.1445, 2041.0126)(1622.1268, 2062.35)(1623.1321, 2119.28)(1624.1367, 2097.46)(1662.115, 1441.23)(1663.1176, 1223.815)(1664.1211, 1231.485)(1665.1245, 1000.555)(1666.1294, 880.05)(1667.116, 674.1)(1668.1216, 669.15) 7 1639.148 1639.148@5.4369884 + 1609.1027@5.4336643 5.4336643 (1610.1105, 6958.7812)(1611.114, 7101.588)(1612.1239, 11198.619)(1613.1285, 6485.8237)(1614.1357, 2172.58)(1615.1418, 6002.9)(1627.134, 1245.51)(1628.1218, 1158.18)(1629.1216, 1119.29) 9 1609.1027 1609.1027@5.4336643 + 1237.8386@5.4487357 5.4487357 (1238.8424, 1851.15)(1239.8397, 1633.116)(1240.836, 1417.158) 5 1237.8386 1237.8386@5.4487357 + 779.5465@5.449738 5.449738 (780.5535, 372260.03)(781.55664, 180766.56)(802.5367, 33142.207)(803.5405, 19261.137)(804.5522, 212950.03) 30 779.5465 779.5465@5.449738 + 819.5813@5.4378 5.4378 (1640.1512, 4318.95)(1641.1565, 3593.77)(1642.1606, 2643.3)(820.58856, 67510.51)(821.59125, 34587.707) 5 819.5813 819.5813@5.4378 + 1640.6177@5.435702 5.435702 (1641.6198, 1219.2167)(1642.6244, 1023.82666)(1643.6212, 1002.55664)(1663.6168, 682.03) 3 1640.6177 1640.6177@5.435702 + 849.5846@5.4294386 5.4294386 (850.5929, 28286.38)(851.59296, 13242.851)(852.59717, 6976.5596)(853.60236, 1870.1449) 10 849.5846 849.5846@5.4294386 + 1238.3306@5.4343224 5.4343224 (1239.3411, 1796.508)(1240.3408, 1528.072)(1241.3347, 1566.7101)(1242.3368, 1638.47) 5 1238.3306 1238.3306@5.4343224 + 856.5746@5.449704 5.449704 (857.5754, 16696.191)(858.5827, 13018.397)(859.5866, 6152.643) 10 856.5746 856.5746@5.449704 + 1609.6038@5.438715 5.438715 (1610.6132, 2151.856)(1611.6174, 2447.735)(1612.6243, 2247.9001)(1613.6252, 1073.155)(1614.6154, 933.96) 12 1609.6038 1609.6038@5.438715 + 787.5371@5.4286494 5.4286494 (788.5458, 43273.383)(789.549, 20413.016)(790.56323, 862474.6)(810.52826, 13565.487)(811.5306, 7428.0674)(812.5419, 299486.0) 19 787.5371 787.5371@5.4286494 + 876.6384@5.4353185 5.4353185 (877.6457, 18141.162)(878.64594, 9893.335)(879.64667, 3292.1782) 14 876.6384 876.6384@5.4353185 + 1585.1031@5.4524755 5.4524755 (1586.1118, 5250.542)(1587.115, 5089.29)(1588.1237, 2633.79)(1589.1288, 2196.22)(1590.1384, 1899.15) 4 1585.1031 1585.1031@5.4524755 + 817.5831@5.436497 5.436497 (1636.157, 996.31)(1637.1447, 874.75)(1638.1403, 736.88)(818.59283, 377117.5)(819.5967, 146313.47)(820.59174, 79981.375)(821.5933, 26841.527)(840.57196, 52461.83)(841.5755, 26250.78)(842.5819, 20481.18)(843.5839, 6378.79) 28 817.5831 817.5831@5.436497 + C45 H67 N7 O2 5.440071 [ C45 H67 N7 O2, mfg=66.81, overall=66.81 ] (738.54266, 2968.0417)(739.54584, 1546.6437) 12 737.5352 C45 H67 N7 O2 + 391.7887@5.4659033 5.4659033 (392.79584, 9018.008)(393.79843, 1674.8629) 21 391.7887 391.7887@5.4659033 + 1587.1191@5.451786 5.451786 (1588.1252, 10691.227)(1589.1299, 9534.987)(1590.1381, 9951.024)(1591.1432, 6587.9937)(1610.1093, 8607.0)(1611.1129, 11103.05) 17 1587.1191 1587.1191@5.451786 + 1595.1101@5.44198 5.44198 (1596.123, 2930.772)(1597.1193, 2771.6763)(1598.1233, 3439.06)(1599.1284, 3324.945)(1600.144, 6694.34) 5 1595.1101 1595.1101@5.44198 + 1628.1136@5.4453444 5.4453444 (1629.1244, 1794.3168)(1630.1273, 2379.1467)(1631.1293, 2027.2467)(1632.1309, 2636.11)(1633.1312, 2183.82) 3 1628.1136 1628.1136@5.4453444 + 1224.834@5.4525867 5.4525867 (1225.8403, 2586.134)(1226.842, 2141.047)(1227.8398, 1763.7655)(1207.8318, 7419.8604)(1208.8391, 6735.9) 10 1224.834 1224.834@5.4525867 + 1241.328@5.453652 5.453652 (1242.3345, 1648.136)(1243.3372, 1533.58)(1244.3347, 1436.39) 5 1241.328 1241.328@5.453652 + 931.6226@5.4541817 5.4541817 (932.63153, 2160.5044)(933.6337, 1300.3325)(934.6442, 1742.26)(935.6478, 950.375)(936.6541, 610.66) 9 931.6226 931.6226@5.4541817 + 1610.6117@5.510737 5.510737 (1611.6147, 1415.892)(1612.6194, 1784.234)(1613.6233, 1437.544)(1614.6364, 793.64) 5 1610.6117 1610.6117@5.510737 + 385.7704@5.462135 5.462135 (794.5312, 69571.67)(795.5343, 35174.09)(796.5433, 76968.68)(797.5468, 31145.13)(386.7778, 7201.912)(387.78156, 1430.9777) 22 385.7704 385.7704@5.462135 + 1206.3226@5.450766 5.450766 (1207.3281, 5419.9897)(1208.3324, 6142.463)(1209.3389, 4264.761) 24 1206.3226 1206.3226@5.450766 + 377.773@5.450276 5.450276 (378.78027, 20699.17)(379.78336, 2911.225) 27 377.773 377.773@5.450276 + 771.5423@5.483372 5.483372 (772.5516, 191697.11)(773.55493, 88031.79)(774.56305, 193131.72)(775.5655, 87404.914)(776.57324, 28361.264)(777.57025, 10212.909)(778.5476, 6387.58)(754.53876, 26143.193)(755.53784, 26997.814)(794.53534, 37613.637)(795.53705, 18482.59)(796.54175, 50916.23)(797.5379, 16966.43) 24 771.5423 771.5423@5.483372 + 1624.623@5.482706 5.482706 (1625.6288, 1891.3551)(1626.6323, 1194.0841)(1627.6335, 1140.565)(1628.631, 421.81) 6 1624.623 1624.623@5.482706 + 833.5933@5.4563727 5.4563727 (834.59924, 445628.4)(835.6028, 240202.16)(836.6076, 102539.57)(837.61414, 30960.58)(851.6319, 2904.23)(856.5814, 38816.492)(857.58514, 19855.371)(858.5934, 11506.078)(859.59827, 5223.92) 35 833.5933 833.5933@5.4563727 + 893.6544@5.4889736 5.4889736 (894.6631, 5723.5415)(895.6683, 2143.575)(896.675, 1407.17) 6 893.6544 893.6544@5.4889736 + 1598.1187@5.457834 5.457834 (1599.1239, 2336.9612)(1600.1346, 2632.3557)(1601.139, 2507.0088)(1602.1396, 2787.6401)(1603.144, 2172.25)(1604.1475, 1848.71)(1605.1469, 1243.5)(1581.1176, 766.15)(1616.1526, 6049.532)(1617.1569, 4632.27)(1618.1492, 3703.7075)(1619.1692, 2834.4648)(1621.117, 811.44) 11 1598.1187 1598.1187@5.457834 + GPSer(18:0/18:1(9Z)) 5.448682 C02737 GPSer(18:0/18:1(9Z)) [ C42 H80 N O10 P, db=81.25, overall=81.25, Lipid ID=LMGP03010005, KEGG ID=C02737, HMP ID=HMDB10163, METLIN ID=40791 ] (1580.1091, 2775.4285)(1581.1124, 2776.5525)(1582.1182, 2027.5669)(1583.1207, 1522.3365)(1602.0925, 2916.06)(1603.0951, 3067.405)(1604.1031, 2247.9316)(1605.1072, 1361.1901)(790.55975, 1093510.5)(791.5631, 523697.94)(792.5715, 242189.2)(793.5756, 74115.9)(794.582, 15954.004)(795.5824, 3321.09)(772.5502, 141935.0)(773.5534, 69436.734)(774.5538, 29781.629)(775.55005, 6366.6797)(812.5422, 124635.73)(813.5454, 58267.08)(814.557, 89922.75)(815.5615, 35942.324) 30 789.5522 GPSer(18:0/18:1(9Z)) HMDB10163 + LMGP03010005 1625.1359@5.469001 5.469001 (1626.1353, 2297.544)(1627.1345, 2036.2449)(1628.1372, 1877.5449)(1629.1395, 709.805) 5 1625.1359 1625.1359@5.469001 + C41 H69 O4 S2 5.450946 [ C41 H69 O4 S2, mfg=96.19, overall=96.19 ] (690.4708, 5246.468)(691.47345, 2354.7974)(692.47345, 968.5866)(693.4843, 92.81)(712.4478, 871.4) 23 689.4636 C41 H69 O4 S2 + 965.5109@5.4554453 5.4554453 (966.5212, 4692.258)(967.52527, 2929.5737)(968.5357, 1655.4972)(969.54004, 398.91)(948.5137, 1580.435)(949.5245, 1163.69)(950.5261, 1281.76)(951.5468, 478.87)(952.5679, 504.89)(988.4995, 1218.5)(989.5044, 1119.355)(990.5173, 1313.88) 10 965.5109 965.5109@5.4554453 + 1193.3156@5.4681997 5.4681997 (1194.328, 2140.5024) 4 1193.3156 1193.3156@5.4681997 + 1218.3323@5.4798346 5.4798346 (1219.3389, 1690.8324)(1220.3402, 1577.34)(1221.3378, 1500.3301)(1222.3374, 1233.54)(1223.3333, 1345.05) 4 1218.3323 1218.3323@5.4798346 + 1584.118@5.476057 5.476057 (1585.1165, 1465.085)(1586.1144, 1563.95)(1587.1108, 1678.36) 2 1584.118 1584.118@5.476057 + 821.5455@5.4447107 5.4447107 (1644.1217, 1357.365)(1645.1262, 1184.17)(1646.1279, 1628.2576)(1647.1293, 1518.0499)(1648.1322, 1282.84)(822.56415, 82872.41)(823.5679, 36767.777)(824.57855, 24822.783)(825.5825, 8289.88)(804.552, 191652.11)(805.55554, 101419.734)(844.5325, 40066.22)(845.5362, 20561.49) 21 821.5455 821.5455@5.4447107 + 914.6705@5.4552536 5.4552536 (915.67773, 1503.8209)(916.6766, 1101.499)(917.69055, 876.86) 10 914.6705 914.6705@5.4552536 + 1-AG 5.4568133 C13857 1-AG [ C23 H38 O4, mfg=49.52, db=49.59, overall=49.55, CAS ID=35474-99-8, KEGG ID=C13857, HMP ID=HMDB11578, METLIN ID=62360 ] 35474-99-8 (379.28195, 10478.973)(380.28467, 1136.3217) 25 378.2747 1-AG HMDB11578 + 791.5786@5.453244 5.453244 (792.5814, 75544.59)(793.58545, 36009.004)(794.59625, 55721.832)(795.605, 32107.02)(796.5872, 40516.77) 13 791.5786 791.5786@5.453244 + 839.6152@5.459817 5.459817 (840.6214, 176917.77)(841.6244, 90640.914)(842.634, 61357.35)(843.6387, 21281.225) 34 839.6152 839.6152@5.459817 + 1597.6058@5.4548664 5.4548664 (1598.6122, 2015.5637)(1599.6187, 2307.491)(1600.6254, 2493.8442)(1601.634, 2847.83)(1602.6396, 1893.135)(1603.6434, 1083.33)(1604.6443, 364.44)(1615.6311, 1219.26)(1616.624, 1137.77)(1617.6261, 1047.28) 11 1597.6058 1597.6058@5.4548664 + PS(P-20:0/20:3(8Z,11Z,14Z)) 5.4770684 PS(P-20:0/20:3(8Z,11Z,14Z)) [ C46 H84 N O9 P, db=65.38, overall=65.38, Lipid ID=LMGP03030078, METLIN ID=78818 ] (826.5929, 19921.264)(827.5962, 9697.644)(828.61206, 6919.297) 21 825.5876 PS(P-20:0/20:3(8Z,11Z,14Z)) + LMGP03030078 1613.6292@5.4615936 5.4615936 (1614.6318, 1234.0867)(1615.6266, 1197.1884)(1616.6266, 1094.3099)(1617.622, 836.135)(1618.6255, 817.18)(1619.622, 525.82)(1620.6122, 570.86) 6 1613.6292 1613.6292@5.4615936 + 1220.8392@5.4536834 5.4536834 (1221.8418, 5171.6353)(1222.8466, 3476.9058)(1223.8357, 2303.8772)(1224.862, 1766.57) 19 1220.8392 1220.8392@5.4536834 + 1572.1129@5.4818835 5.4818835 (1573.1227, 1813.4801)(1574.126, 1992.65)(1575.1252, 2479.7) 3 1572.1129 1572.1129@5.4818835 + 1212.3348@5.45706 5.45706 (1213.3416, 1894.5874)(1214.343, 1622.3501)(1215.3428, 1461.05)(1216.3352, 1112.75)(1217.3384, 1012.21)(1195.331, 4450.27) 4 1212.3348 1212.3348@5.45706 + 1211.8414@5.493315 5.493315 (1212.8535, 2072.9858)(1213.8481, 1414.085)(1214.8397, 1324.2433) 7 1211.8414 1211.8414@5.493315 + 1221.3435@5.4582806 5.4582806 (1222.3494, 5709.9526)(1223.3524, 4352.14)(1224.3501, 3492.62) 8 1221.3435 1221.3435@5.4582806 + 1601.1295@5.464213 5.464213 (1602.1339, 2279.5798)(1603.1282, 1942.958)(1604.1272, 1995.0125)(1605.124, 1614.04)(1619.1661, 2315.93)(1620.1692, 2196.87)(1621.1792, 1617.44) 5 1601.1295 1601.1295@5.464213 + 1643.1711@5.4669304 5.4669304 (1644.1711, 2269.87)(1645.1786, 1840.9849)(1646.1897, 1384.3049)(1647.1918, 502.19) 2 1643.1711 1643.1711@5.4669304 + 859.5288@5.446125 5.446125 (860.5386, 7696.793)(861.5417, 4078.5579)(862.54565, 5229.167)(863.5454, 1893.2487)(842.5182, 5204.98)(843.5233, 1892.73)(882.51556, 2192.7566)(883.5209, 1359.895)(884.5301, 5944.78) 21 859.5288 859.5288@5.446125 + 1194.8258@5.466419 5.466419 (1195.8326, 5930.3286)(1196.8394, 6393.7866)(1197.8473, 6430.24)(1198.8535, 4533.075) 22 1194.8258 1194.8258@5.466419 + C45 H81 Cl2 O3 5.474144 [ C45 H81 Cl2 O3, mfg=52.19, overall=52.19 ] (740.55786, 5246.2104)(741.5608, 2569.5713)(742.5724, 6327.2754)(743.5768, 2873.92)(762.5381, 4613.42)(763.5329, 2379.36)(764.5486, 3645.28)(765.5499, 1107.13) 26 739.5507 C45 H81 Cl2 O3 + 1559.0878@5.479658 5.479658 (1560.0966, 1577.4165)(1561.0997, 1495.8208)(1562.1104, 7233.5625)(1563.1143, 6339.1733)(1564.125, 10479.49) 11 1559.0878 1559.0878@5.479658 + 893.5275@5.398604 5.398604 (894.53613, 3512.177)(895.53723, 1712.9277)(896.53906, 22110.64) 10 893.5275 893.5275@5.398604 + 795.5764@5.486082 5.486082 (1592.1562, 13756.17)(1593.1613, 10693.25)(1594.1683, 8676.33)(1595.1733, 5695.94)(1614.1357, 2069.31)(1615.1378, 1696.0)(1616.148, 1931.4)(1617.1505, 1485.58)(796.5855, 48304.3)(797.5874, 27776.283)(798.5731, 53340.2)(799.5727, 20778.35)(813.6172, 62085.61)(814.6159, 23649.19) 5 795.5764 795.5764@5.486082 + 781.562@5.4656515 5.4656515 (1564.1273, 9049.9)(1565.1324, 6601.99)(1566.1353, 4234.03)(1586.11, 5068.612)(1587.1144, 5278.8833)(1588.1252, 7743.2656)(1589.1296, 6849.5)(1590.1388, 12371.994)(1591.144, 11840.96)(1592.1553, 13263.79)(782.5692, 2640553.5)(783.5727, 1229052.0)(784.5833, 2145190.2)(785.5884, 1209361.5)(804.5515, 155853.08)(805.55505, 82044.95)(806.5608, 68646.87)(807.5643, 38250.05)(808.5784, 8971.99) 37 781.562 781.562@5.4656515 + 1585.6084@5.4670124 5.4670124 (1586.6123, 1729.3511)(1587.6191, 2139.9663)(1588.6262, 2557.624)(1589.6302, 1872.6799)(1590.6305, 1142.03)(1603.6454, 1562.98)(1604.6318, 888.91)(1605.623, 856.55) 9 1585.6084 1585.6084@5.4670124 + 1215.3175@5.4777627 5.4777627 (1216.3326, 2060.6768)(1217.3364, 1969.5934)(1218.3385, 1972.7733)(1219.3324, 1402.07) 3 1215.3175 1215.3175@5.4777627 + PS(16:0/18:1(9Z))[U] 5.4751906 C13880 PS(16:0/18:1(9Z))[U] [ C40 H76 N O10 P, db=49.33, overall=49.33, Lipid ID=LMGP03010010, KEGG ID=C13880, METLIN ID=40795 ] (762.5274, 5259.0156)(763.5301, 2491.8157)(764.54297, 4654.3247)(765.5469, 2038.182)(766.5408, 703.66003) 17 761.52 PS(16:0/18:1(9Z))[U] + LMGP03010010 1208.8405@5.4815736 5.4815736 (1209.8464, 6121.413)(1210.8517, 4921.2725)(1211.8579, 3578.214)(1212.8567, 1854.265) 14 1208.8405 1208.8405@5.4815736 + 1195.3292@5.4771824 5.4771824 (1196.3363, 5878.7427)(1197.344, 6266.056)(1198.3503, 4220.42) 20 1195.3292 1195.3292@5.4771824 + PE(P-20:0/17:1(9Z)) 5.457796 PE(P-20:0/17:1(9Z)) [ C42 H82 N O7 P, db=40.41, overall=40.41, Lipid ID=LMGP02030071, METLIN ID=77649 ] (766.5738, 21351.264)(767.5768, 11309.647)(768.56384, 20777.098) 27 765.5666 PE(P-20:0/17:1(9Z)) + LMGP02030071 1562.1064@5.4781327 5.4781327 (1563.1149, 6116.022)(1564.1246, 9047.061)(1565.1298, 7878.81) 6 1562.1064 1562.1064@5.4781327 + 861.5404@5.4752784 5.4752784 (862.5438, 9356.649)(863.5457, 4580.119)(864.5211, 2120.63)(884.5315, 5278.23)(885.5337, 2290.32) 9 861.5404 861.5404@5.4752784 + 1209.3442@5.487845 5.487845 (1210.3505, 5129.8794)(1211.3563, 4458.804)(1212.3579, 3011.1191)(1213.3568, 1142.87)(1192.334, 1713.91)(1232.335, 2184.29) 12 1209.3442 1209.3442@5.487845 + 713.5352@5.4863515 5.4863515 (714.54297, 1855.0732)(715.5447, 916.83203)(736.5224, 1558.2)(737.5221, 910.86) 6 713.5352 713.5352@5.4863515 + 1600.6245@5.478523 5.478523 (1601.6333, 2077.44)(1602.6375, 1775.6526)(1603.6383, 1226.6067)(1623.6287, 804.54004) 4 1600.6245 1600.6245@5.478523 + 813.6004@5.4933395 5.4933395 (814.6061, 35114.61)(815.6085, 16738.236) 20 813.6004 813.6004@5.4933395 + 1604.1267@5.466225 5.466225 (1605.1208, 1475.0)(1606.125, 1211.58)(1607.1322, 1436.46) 2 1604.1267 1604.1267@5.466225 + 1591.6143@5.5156255 5.5156255 (1592.6346, 1061.5834)(1593.6344, 994.73663)(1594.6312, 996.77)(1595.63, 893.18)(1574.61, 1908.765)(1575.6166, 2126.93) 3 1591.6143 1591.6143@5.5156255 + 755.5472@5.487384 5.487384 (1512.0925, 591.36)(1513.096, 368.13)(756.5541, 414952.78)(757.55707, 197539.42)(778.5378, 27998.557)(779.5405, 14770.125) 37 755.5472 755.5472@5.487384 + 1182.8258@5.490563 5.490563 (1183.8324, 4984.682)(1184.8394, 6444.488)(1185.8464, 3296.2468)(1186.8484, 1969.875)(1187.8373, 1622.34) 23 1182.8258 1182.8258@5.490563 + PE(17:0/22:4(7Z,10Z,13Z,16Z)) 5.491455 PE(17:0/22:4(7Z,10Z,13Z,16Z)) [ C44 H80 N O8 P, db=62.31, overall=62.31, Lipid ID=LMGP02010560, METLIN ID=76795 ] (1564.1256, 12295.81)(1565.13, 11062.998)(1566.1394, 13747.844)(1567.1451, 11085.257)(1568.1562, 18577.47) 14 1563.1191 PE(17:0/22:4(7Z,10Z,13Z,16Z)) + LMGP02010560 1619.17@5.4784 5.4784 (1620.1768, 2795.375)(1621.1837, 2023.2949)(1622.1859, 1232.54)(1623.193, 1150.8) 4 1619.17 1619.17@5.4784 + 727.523@5.485285 5.485285 (728.52936, 1784.8844)(729.53186, 953.47003) 9 727.523 727.523@5.485285 + Mulberrofuran C 5.4861608 C08928 Mulberrofuran C [ C34 H28 O9, db=62.34, overall=62.34, CAS ID=77996-04-4, KEGG ID=C08928, METLIN ID=67277 ] 77996-04-4 (1183.3303, 4238.6216)(1184.336, 3154.6897)(1185.3452, 1780.06)(1186.3502, 1918.52)(1187.3517, 1321.76) 20 1182.3236 Mulberrofuran C + 1187.3259@5.4978313 5.4978313 (1188.3352, 1702.9141)(1189.335, 1650.79)(1190.3367, 1388.1226)(1191.3326, 1068.21)(1192.3301, 867.8)(1170.325, 1834.14) 5 1187.3259 1187.3259@5.4978313 + 769.5543@5.499183 5.499183 (1540.1257, 12823.107)(1541.1306, 11163.925)(1562.1108, 7084.9937)(1563.115, 7171.2437)(770.56964, 42319.938)(771.5734, 19059.762)(772.55646, 72149.05)(773.5586, 8519.31) 18 769.5543 769.5543@5.499183 + 532.7111@5.4900227 5.4900227 (533.7182, 6863.516)(534.7212, 1405.9589) 29 532.7111 532.7111@5.4900227 + 1217.8326@5.498464 5.498464 (1218.8387, 1675.3833)(1219.8431, 1899.4834)(1220.842, 1495.875) 3 1217.8326 1217.8326@5.498464 + 342.2878@5.5029883 5.5029883 (343.29523, 6887.1655)(344.29828, 1737.7891)(365.27695, 2029.77) 10 342.2878 342.2878@5.5029883 + 809.5933@5.505445 5.505445 (1620.1807, 1895.19)(1621.19, 2324.6)(1622.1909, 1609.1)(1623.2024, 269.37)(810.60034, 747506.8)(811.60425, 359961.3)(812.6099, 139981.5)(813.61554, 36709.85)(814.6092, 11458.56)(832.5831, 42813.52)(833.5865, 20324.22) 35 809.5933 809.5933@5.505445 + 1183.8326@5.49799 5.49799 (1184.8398, 5600.6787)(1185.8473, 6641.8164)(1186.8542, 5903.79)(1187.8573, 2008.35) 15 1183.8326 1183.8326@5.49799 + 1196.8398@5.496414 5.496414 (1197.8467, 6263.8296)(1198.8524, 4700.19)(1199.8582, 3023.2913)(1200.8638, 1943.2)(1179.8373, 857.52) 17 1196.8398 1196.8398@5.496414 + 791.0541@5.4951053 5.4951053 (792.0613, 12715.024)(793.05835, 6486.278)(794.06055, 7831.0444) 29 791.0541 791.0541@5.4951053 + 787.5368@5.4926643 5.4926643 (1576.0845, 587.03)(788.54456, 158558.03)(789.5475, 73939.266)(810.52704, 53975.2)(811.5302, 28337.006)(812.5408, 62430.59) 36 787.5368 787.5368@5.4926643 + 1588.6252@5.48999 5.48999 (1589.6326, 2559.502)(1590.6375, 2366.6274)(1591.641, 1534.4933)(1592.6442, 654.06) 5 1588.6252 1588.6252@5.48999 + 1170.3236@5.5039043 5.5039043 (1171.3307, 5757.7397)(1188.3501, 920.94) 18 1170.3236 1170.3236@5.5039043 + 1575.1202@5.4947834 5.4947834 (1576.1299, 2972.9111)(1577.1335, 2862.2837)(1578.136, 2809.703)(1579.1353, 1918.145)(1580.123, 1943.9)(1558.13, 799.72) 10 1575.1202 1575.1202@5.4947834 + 799.5724@5.508689 5.508689 (800.58093, 85960.945)(801.5841, 41453.49)(802.5952, 63182.957)(803.5994, 29574.078)(804.59863, 9390.096)(805.6012, 1391.8049)(822.5593, 28478.447)(823.56445, 13013.891)(824.57324, 17630.95) 33 799.5724 799.5724@5.508689 + 1197.3435@5.5046163 5.5046163 (1198.3508, 6725.3003)(1199.3561, 4585.3643)(1200.3577, 2356.6138)(1201.3427, 919.81)(1220.3406, 1888.32) 15 1197.3435 1197.3435@5.5046163 + 1513.1053@5.502439 5.502439 (1514.1123, 2859.8704)(1515.1162, 2726.8027)(1536.0952, 1351.3)(1537.0979, 1499.4259) 21 1513.1053 1513.1053@5.502439 + 1575.6187@5.5026746 5.5026746 (1576.6262, 2550.442)(1577.6342, 2657.7278)(1578.6387, 1938.1057)(1579.6405, 837.93)(1598.6189, 719.24) 14 1575.6187 1575.6187@5.5026746 + 842.6331@5.4938836 5.4938836 (843.6403, 42201.965) 3 842.6331 842.6331@5.4938836 + 777.039@5.505567 5.505567 (1572.1152, 741.78)(778.0464, 6719.3955)(779.0487, 1667.262)(780.0447, 2202.9636) 31 777.039 777.039@5.505567 + 1567.149@5.524967 5.524967 (1568.1556, 9635.455)(1569.1609, 7897.868)(1570.1671, 4672.6714)(1571.1715, 2900.4458) 10 1567.149 1567.149@5.524967 + 1198.852@5.5557523 5.5557523 (1199.8617, 2872.019)(1200.8615, 1743.8545)(1201.8574, 1594.6968)(1202.8691, 966.91)(1203.8417, 987.76)(1181.8418, 1266.23)(1221.8566, 744.83) 11 1198.852 1198.852@5.5557523 + C28 H63 N19 O4 5.519339 [ C28 H63 N19 O4, mfg=70.36, overall=35.18 ] (730.5378, 33932.984)(731.5412, 15075.689)(747.5649, 3369.81)(752.5183, 2256.8613)(753.52167, 1570.995)(754.5361, 3231.72)(755.5374, 885.21) 37 729.5308 C28 H63 N19 O4 + 1184.3379@5.517968 5.517968 (1185.345, 7215.4766)(1186.3508, 7460.5967)(1187.355, 3791.8977)(1188.3516, 1254.0664)(1189.355, 305.47) 20 1184.3379 1184.3379@5.517968 + 1184.8408@5.522893 5.522893 (1185.8478, 9187.894)(1186.853, 5921.7783)(1187.8583, 2784.3987)(1188.8485, 679.65826)(1167.8296, 2595.72)(1168.8317, 1570.02)(1207.8406, 1246.56) 23 1184.8408 1184.8408@5.522893 + 1563.6191@5.5250335 5.5250335 (1564.6268, 2751.542)(1565.6326, 2374.9749)(1566.6373, 1568.1971)(1567.6427, 431.24)(1586.62, 949.375) 15 1563.6191 1563.6191@5.5250335 + 772.5711@5.522201 5.522201 (1568.156, 6257.23)(1569.1611, 4911.47)(1570.166, 3259.98)(773.5823, 57466.96)(774.56964, 43348.82)(775.57074, 20222.81)(776.5752, 11448.41) 2 772.5711 772.5711@5.522201 + 801.588@5.5307174 5.5307174 (802.59656, 55454.156)(803.5998, 25975.729)(804.6004, 16501.268)(805.606, 4219.19) 14 801.588 801.588@5.5307174 + 1550.1088@5.5216527 5.5216527 (1551.1189, 2784.111)(1552.1233, 3896.4348)(1553.1289, 2816.53)(1554.1324, 2044.315)(1555.1333, 1222.5475) 16 1550.1088 1550.1088@5.5216527 + 1550.6122@5.5274053 5.5274053 (1551.6193, 2995.5276)(1552.6257, 3159.435)(1553.6302, 1819.275) 12 1550.6122 1550.6122@5.5274053 + 1171.3298@5.5221367 5.5221367 (1172.3373, 9380.092)(1173.344, 9254.266)(1174.3497, 5227.5967)(1175.353, 1791.7394)(1176.343, 406.135) 27 1171.3298 1171.3298@5.5221367 + 507.3315@5.519 5.519 (508.3387, 3280.11) 1 507.3315 507.3315@5.519 + 1171.8329@5.5266967 5.5266967 (1172.8398, 8750.442)(1173.8468, 8354.497)(1174.8518, 3406.1992)(1175.8506, 890.78644) 27 1171.8329 1171.8329@5.5266967 + C24 H41 N6 O5 S 5.5190754 [ C24 H41 N6 O5 S, mfg=88.93, overall=44.46 ] (526.2926, 76406.984)(527.29584, 22817.266)(528.3044, 8250.671)(529.3106, 2552.368)(548.2745, 3947.5579)(549.2776, 1768.5507) 34 525.2854 C24 H41 N6 O5 S + C41 H81 N3 O2 S3 5.5297346 [ C41 H81 N3 O2 S3, mfg=84.89, overall=42.45 ] (744.5548, 45060.008)(745.5581, 20461.014)(746.5653, 13891.06)(747.5663, 3757.5999)(766.5319, 3503.2332)(767.5378, 2156.4724)(768.5337, 1822.55) 35 743.5478 C41 H81 N3 O2 S3 + 741.5663@5.526992 5.526992 (742.57306, 9011.537)(743.5766, 4247.145)(744.5552, 91192.18) 29 741.5663 741.5663@5.526992 + 794.0609@5.5296154 5.5296154 (795.0666, 7071.48)(796.0736, 3403.396)(797.07806, 1695.1515)(798.0595, 571.25) 8 794.0609 794.0609@5.5296154 + 1537.606@5.533676 5.533676 (1538.6128, 3513.3015)(1539.6173, 2817.3691)(1540.6222, 1421.9414) 24 1537.606 1537.606@5.533676 + 1158.3239@5.5336757 5.5336757 (1159.3313, 11331.822)(1160.3353, 12828.166)(1161.3406, 4381.6895)(1162.3499, 1173.0076) 30 1158.3239 1158.3239@5.5336757 + 1282.8455@5.537017 5.537017 (1283.8513, 4526.3706)(1284.8541, 4122.272)(1285.86, 2917.673)(1286.8618, 954.20166)(1305.834, 2340.4695)(1306.8367, 2047.6818)(1307.8453, 1780.3235)(1308.8518, 1613.19) 18 1282.8455 1282.8455@5.537017 + 1569.1626@5.535756 5.535756 (1570.1669, 5424.2227)(1571.1731, 3372.27)(1572.1787, 1870.7776) 7 1569.1626 1569.1626@5.535756 + 1158.826@5.534784 5.534784 (1159.8331, 14273.268)(1160.8373, 7230.086)(1161.8436, 2296.1902)(1162.8534, 663.629) 32 1158.826 1158.826@5.534784 + 780.0462@5.546106 5.546106 (781.05334, 21367.57)(782.05914, 7435.105)(783.0672, 3293.9001)(784.0747, 987.39)(798.0862, 1069.1699)(799.0709, 1038.39) 31 780.0462 780.0462@5.546106 + 769.054@5.53525 5.53525 (1539.1136, 9786.935)(1540.1228, 9657.088)(1541.1293, 6695.298)(770.0616, 11931.409)(771.0666, 3437.5583)(772.0701, 1055.4541) 25 769.054 769.054@5.53525 + 1541.1342@5.5315714 5.5315714 (1542.1407, 10249.612)(1543.1462, 8081.648)(1544.1566, 10093.498)(1545.1621, 11508.456)(1546.1654, 5339.906)(1547.1656, 1841.442)(1548.1754, 806.125)(1564.1223, 1511.1)(1565.1273, 1620.53)(1566.1375, 3052.37)(1567.1415, 2488.95)(1568.1527, 2326.56) 18 1541.1342 1541.1342@5.5315714 + 377.7732@5.5361104 5.5361104 (378.78036, 16348.316)(379.78333, 2904.0872) 24 377.7732 377.7732@5.5361104 + 1529.134@5.528217 5.528217 (1530.1307, 2146.03)(1531.1327, 2057.51)(1532.1326, 1422.7374)(1533.1279, 1113.5)(1552.1184, 3565.095)(1553.125, 2859.095)(1554.1187, 2161.075)(1555.1152, 1078.745) 11 1529.134 1529.134@5.528217 + 1285.8606@5.536 5.536 (1286.8679, 2078.17)(1287.877, 1971.93) 1 1285.8606 1285.8606@5.536 + 1232.3248@5.5421176 5.5421176 (1233.3329, 4100.503)(1234.3375, 3040.032)(1235.3452, 2411.72)(1250.3646, 1033.4976) 26 1232.3248 1232.3248@5.5421176 + PE(22:2(13Z,16Z)/15:0) 5.5530453 C00350 PE(22:2(13Z,16Z)/15:0) [ C42 H80 N O8 P, db=67.35, overall=67.35, KEGG ID=C00350, HMP ID=HMDB09549, METLIN ID=60938 ] (1516.1289, 26444.963)(1517.1326, 25672.525)(1518.137, 15291.355)(1519.142, 6225.143)(1520.1475, 2643.1433)(1521.152, 955.5029)(1538.1102, 13258.248)(1539.1139, 13653.849)(1540.1223, 12516.541)(1541.1285, 7461.28)(758.5695, 6410417.5)(759.57275, 2951841.2)(760.5801, 2736116.5)(761.58484, 81305.25)(762.5889, 6747.055)(763.5923, 3879.58)(780.5518, 299896.75)(781.55505, 143901.83)(782.56573, 39768.227)(783.5699, 5606.57) 37 757.562 PE(22:2(13Z,16Z)/15:0) HMDB09549 + 1258.8438@5.525799 5.525799 (1259.8486, 3412.7747)(1260.852, 2753.4692)(1261.8535, 1902.1364)(1262.8579, 1156.5367)(1263.8345, 1341.33)(1241.8303, 1225.28)(1242.8302, 1038.2051)(1243.842, 1282.44)(1244.8363, 1021.4)(1245.832, 1401.76)(1281.8334, 1807.4686)(1282.8346, 1619.8875)(1283.8281, 922.93) 28 1258.8438 1258.8438@5.525799 + Fexofenadine 5.5354357 C06999 Fexofenadine [ C32 H39 N O4, mfg=72.39, db=72.38, overall=72.38, CAS ID=83799-24-0, KEGG ID=C06999, HMP ID=HMDB05030, METLIN ID=2766 ] 83799-24-0 (1003.5745, 888.75665)(1004.5655, 767.08)(1020.5953, 888.02)(1025.55, 563.85)(502.29254, 43832.316)(503.29636, 12796.526)(504.3045, 5401.9688)(505.31006, 1537.1951)(524.2746, 2978.0747)(525.27893, 1158.3375) 37 501.2852 Fexofenadine HMDB05030 + 1247.3442@5.467967 5.467967 (1248.3507, 1785.8445)(1249.3466, 1419.1)(1250.34, 1248.8885) 9 1247.3442 1247.3442@5.467967 + 926.5404@5.5482736 5.5482736 (927.5472, 20348.928)(928.55133, 11325.693)(929.55853, 6558.3994)(930.56476, 3438.5398) 27 926.5404 926.5404@5.5482736 + 1220.8322@5.560629 5.560629 (1221.8403, 2661.8372)(1222.8425, 3329.5173)(1223.8477, 1661.4418)(1224.8544, 753.565) 17 1220.8322 1220.8322@5.560629 + 1221.3333@5.560419 5.560419 (1222.3407, 4067.1218)(1223.3453, 2738.3096)(1224.3486, 1139.5354) 16 1221.3333 1221.3333@5.560419 + 1235.3466@5.5494213 5.5494213 (1236.3552, 3005.988)(1237.3585, 1851.5886)(1238.3562, 1229.2367) 10 1235.3466 1235.3466@5.5494213 + 715.5507@5.5662007 5.5662007 (716.5579, 4562.7026)(717.56134, 2038.2635)(718.55835, 1994.016)(719.5372, 0.0)(738.5356, 782.26) 13 715.5507 715.5507@5.5662007 + C28 H49 O2 S2 5.5551467 [ C28 H49 O2 S2, mfg=86.38, overall=43.19 ] (482.32355, 7804.8413)(483.32724, 2116.0256)(484.33017, 1060.1067)(504.3049, 1602.685) 37 481.3162 C28 H49 O2 S2 + 815.6157@5.564036 5.564036 (816.62286, 465274.12)(817.626, 243458.14)(818.63055, 93632.69)(819.63477, 22485.312)(820.62665, 5568.4155)(821.6266, 998.78) 35 815.6157 815.6157@5.564036 + PE(20:1(11Z)/15:0) 5.576248 C00350 PE(20:1(11Z)/15:0) [ C40 H78 N O8 P, db=97.54, overall=48.77, KEGG ID=C00350, HMP ID=HMDB09252, METLIN ID=60648 ] (732.5533, 61979.215)(733.5567, 27678.621)(734.5627, 6371.7847)(735.56647, 697.1867)(749.5769, 609.87)(754.5367, 4116.193)(755.53973, 1487.6466) 36 731.5462 PE(20:1(11Z)/15:0) HMDB09252 + C28 H33 N7 O2 5.567176 [ C28 H33 N7 O2, mfg=80.02, overall=40.01 ] (500.27667, 7775.3853)(501.28033, 2408.688) 20 499.2693 C28 H33 N7 O2 + LysoPE(0:0/18:1(11Z)) 5.568454 LysoPE(0:0/18:1(11Z)) [ C23 H46 N O7 P, db=81.12, overall=40.56, HMP ID=HMDB11475, METLIN ID=62263 ] (959.60693, 1751.2849)(960.6078, 1268.47)(981.59094, 1606.4525)(982.59033, 1118.16)(983.5934, 836.14)(480.30817, 9789.929)(481.31155, 2653.5166) 36 479.3008 LysoPE(0:0/18:1(11Z)) HMDB11475 + 930.5725@5.5713887 5.5713887 (931.5795, 8937.035)(932.5833, 5026.571)(933.596, 14220.822)(934.5988, 7659.0386)(935.5965, 3045.825)(936.5922, 1038.52)(953.5641, 2979.915)(954.56757, 1881.885) 29 930.5725 930.5725@5.5713887 + 107.0039@5.5737863 5.5737863 (108.011185, 4348.8335) 20 107.0039 107.0039@5.5737863 + 819.628@5.609554 5.609554 (820.6365, 11443.492)(821.6351, 3076.0925)(822.6254, 5619.45)(823.633, 1788.62) 4 819.628 819.628@5.609554 + 801.5952@5.573906 5.573906 (802.6048, 10248.581)(803.6058, 5120.25)(804.6094, 7731.65)(805.6204, 3811.79) 3 801.5952 801.5952@5.573906 + 1132.6049@5.57374 5.57374 (1133.6119, 2704.8684)(1134.6155, 1667.879)(1135.6183, 1413.7032)(1136.6232, 584.63336)(1155.5938, 1823.467)(1156.597, 1360.347)(1157.6007, 1017.9091) 27 1132.6049 1132.6049@5.57374 + Taurine 5.5771956 C00245 Taurine [ C2 H7 N O3 S, db=99.67, overall=49.83, CAS ID=107-35-7, KEGG ID=C00245, HMP ID=HMDB00251, METLIN ID=31 ] 107-35-7 (251.03653, 15670.697)(252.03899, 1458.3824)(253.03346, 2160.1558)(273.01837, 1355.776)(126.021805, 282321.3)(127.024574, 9302.001)(128.0185, 14321.681)(129.02159, 506.59998)(143.0476, 10770.22)(148.00381, 13519.86)(149.00934, 809.23773)(150.00049, 950.38855) 37 125.0146 Taurine HMDB00251 + 947.6345@5.5724216 5.5724216 (948.64105, 1938.8126)(949.64374, 1278.1451)(950.6475, 982.8667) 11 947.6345 947.6345@5.5724216 + C14 H30 N O8 S5 5.5791464 [ C14 H30 N O8 S5, mfg=92.43, overall=92.43 ] (1001.122, 710.25)(1018.1499, 1635.2418)(1019.1516, 813.73)(1020.1463, 1513.0)(1021.1464, 424.71)(1023.10614, 2350.899)(1024.107, 1163.381)(1025.103, 1594.66)(1026.1024, 369.86)(1027.106, 293.7)(501.06537, 4902.71)(502.06784, 1111.417)(503.06265, 1588.7343)(523.0475, 7009.477)(524.04956, 1177.2987)(525.0442, 1866.5688) 31 500.0583 C14 H30 N O8 S5 + 1030.0757@5.573756 5.573756 (1031.0817, 1875.6119)(1032.0851, 1232.3523)(1053.066, 1020.44006)(1054.0669, 777.86)(1055.0757, 1046.04) 15 1030.0757 1030.0757@5.573756 + 1029.5725@5.5777907 5.5777907 (1030.58, 7599.417)(1031.5831, 4860.659)(1032.5878, 2785.7407)(1033.5925, 1034.5548)(1052.5625, 2271.8677)(1053.5658, 1624.39)(1054.5719, 1160.5521) 37 1029.5725 1029.5725@5.5777907 + 1404.6139@5.576851 5.576851 (1405.6217, 1612.506)(1406.6238, 1259.8989)(1407.6252, 1052.9857)(1427.606, 870.91) 12 1404.6139 1404.6139@5.576851 + 1147.1143@5.5763874 5.5763874 (1148.1205, 1988.9951)(1149.1218, 1449.27)(1150.1184, 1455.59)(1170.1057, 1435.7051)(1171.1113, 908.08496)(1172.1031, 726.34) 4 1147.1143 1147.1143@5.5763874 + 1154.586@5.5741234 5.5741234 (1155.5942, 2104.032)(1156.5973, 1742.292)(1157.5999, 1171.05)(1177.5782, 1061.31)(1178.5796, 817.41) 5 1154.586 1154.586@5.5741234 + 175.0632@5.5745087 5.5745087 (176.07054, 4431.349)(177.07466, 955.3141)(193.09709, 9590.606)(194.10104, 1345.3501)(195.1006, 590.59) 12 175.0632 175.0632@5.5745087 + PE(24:1(15Z)/14:1(9Z)) 5.578175 C00350 PE(24:1(15Z)/14:1(9Z)) [ C43 H82 N O8 P, db=20.89, overall=20.89, KEGG ID=C00350, HMP ID=HMDB09746, METLIN ID=61131 ] (1544.1578, 12926.4795)(1545.1621, 10542.401)(1546.1665, 5928.7437)(1547.1714, 2327.6282)(1548.1726, 877.265)(1566.1406, 4279.527)(1567.1448, 3660.91)(1568.1505, 874.84)(772.5818, 90918.48)(773.5845, 46722.703)(774.5772, 35453.355)(775.5823, 24381.678)(776.5737, 16191.35)(777.5648, 9670.63)(778.5784, 1321.26)(789.6105, 35618.59)(790.6065, 16451.4)(791.6081, 6415.55)(794.5667, 18761.229)(795.57245, 12261.921)(796.5398, 18861.03)(797.5406, 8551.18)(798.5447, 5776.85) 20 771.5773 PE(24:1(15Z)/14:1(9Z)) HMDB09746 + 625.0734@5.581407 5.581407 (1273.1346, 1495.72)(1274.1368, 974.27)(1275.1304, 984.15)(626.08044, 4285.206)(627.082, 1328.0057)(628.07794, 1724.4913)(629.079, 510.38)(648.0625, 2959.2217)(649.0641, 890.55426)(650.0588, 1044.2384) 20 625.0734 625.0734@5.581407 + 1257.6191@5.5767083 5.5767083 (1258.6262, 1187.8)(1280.6086, 1551.52)(1281.6134, 1367.865)(1282.6123, 1181.245) 2 1257.6191 1257.6191@5.5767083 + 835.5394@5.5966477 5.5966477 (836.54565, 5461.707)(837.5496, 2903.9434)(838.5373, 2301.97) 6 835.5394 835.5394@5.5966477 + Indole-3-acetaldoxime N-oxide + 5.5751677 5.5751677 C17204 Indole-3-acetaldoxime N-oxide [ C10 H10 N2 O2, mfg=78.99, db=78.97, overall=78.98, KEGG ID=C17204, METLIN ID=71605 ] (191.08142, 10919.095)(192.08595, 1727.7526)(173.0725, 1145.67) 20 190.0741 Indole-3-acetaldoxime N-oxide + 5.5751677 + C12 H23 O5 S4 5.5831857 [ C12 H23 O5 S4, mfg=94.92, overall=94.92 ] (751.095, 2131.59)(752.0974, 1227.4225)(753.09125, 1708.61)(768.1188, 802.4)(773.0769, 13198.625)(774.0796, 3150.84)(775.0744, 5288.74)(776.0803, 1161.45)(777.0742, 966.15)(376.051, 2300.1748)(377.052, 753.28)(398.03284, 6957.6665)(399.03564, 954.31323)(400.0295, 1354.8014) 19 375.0438 C12 H23 O5 S4 + 772.0699@5.5819077 5.5819077 (1545.1582, 780.455)(1567.1395, 713.06)(773.07635, 9412.064)(774.07764, 2313.9211)(775.07367, 3048.2969)(776.0779, 892.77246)(777.0723, 779.15576)(795.0619, 6535.8076)(796.0655, 1014.4001)(797.0561, 1845.9232) 28 772.0699 772.0699@5.5819077 + 1160.6346@5.5763097 5.5763097 (1161.6428, 1700.7133)(1162.6467, 1217.4166)(1183.6202, 822.29) 3 1160.6346 1160.6346@5.5763097 + 904.5584@5.5794077 5.5794077 (905.566, 89357.59)(906.56885, 44804.312)(907.5748, 24541.3)(908.578, 9175.206)(909.57965, 3205.7593)(910.57874, 853.776)(911.5773, 1340.39)(927.5472, 38302.2)(928.5507, 20265.97)(929.5573, 10704.97)(930.5627, 5206.31) 37 904.5584 904.5584@5.5794077 + 146.9965@5.577626 5.577626 (295.00122, 1930.5)(316.9819, 2136.52)(148.00375, 15320.857)(169.9856, 3411.26) 5 146.9965 146.9965@5.577626 + 437.2901@5.582 5.582 (438.2974, 2773.92) 1 437.2901 437.2901@5.582 + 1058.6066@5.590686 5.590686 (1059.613, 2167.48)(1060.612, 1087.66) 2 1058.6066 1058.6066@5.590686 + 1057.6025@5.5927076 5.5927076 (1058.6102, 2980.3948)(1059.613, 1693.7836)(1060.6147, 1072.62)(1080.5934, 1323.6366)(1081.5945, 1280.63) 17 1057.6025 1057.6025@5.5927076 + 956.588@5.574065 5.574065 (957.595, 7223.2666)(958.5978, 3909.343)(959.6066, 2794.7207)(960.60944, 1536.27)(961.6153, 487.17334)(979.5716, 1762.8334)(980.58594, 968.24)(981.5904, 1196.9451) 21 956.588 956.588@5.574065 + 1043.5873@5.5872808 5.5872808 (1044.5946, 1411.5333)(1045.5986, 1124.16)(1066.5756, 824.76) 6 1043.5873 1043.5873@5.5872808 + 907.5738@5.564904 5.564904 (908.5773, 11825.86)(909.5791, 4185.6123)(910.5689, 2015.9475) 5 907.5738 907.5738@5.564904 + 932.5893@5.5903926 5.5903926 (933.59607, 30033.25)(934.59937, 18373.402)(935.6006, 7329.8896)(936.5937, 2572.7092)(937.59326, 1046.6733)(955.5773, 5096.05)(956.5777, 2944.28)(957.5942, 4999.46)(958.5979, 2415.42)(959.6045, 1392.89)(960.5962, 631.93) 29 932.5893 932.5893@5.5903926 + 933.5927@5.5925508 5.5925508 (934.59863, 11589.013)(935.5998, 4827.6777)(936.59155, 1896.5308)(937.5808, 841.74335)(916.5702, 1185.22)(917.5529, 569.8)(918.5437, 1651.27)(956.5814, 5362.99)(957.5917, 4054.5051)(958.594, 2167.425) 16 933.5927 933.5927@5.5925508 + C27 H46 Cl N3 5.592919 [ C27 H46 Cl N3, mfg=71.77, overall=35.89 ] (895.6731, 1212.01)(448.3418, 17890.059)(449.34424, 6109.1914)(450.35547, 5447.764)(470.3274, 1336.68) 24 447.3345 C27 H46 Cl N3 + C27 H51 N O4 5.592676 [ C27 H51 N O4, mfg=78.92, overall=78.92 ] (454.38846, 7758.987)(455.3918, 2505.7588) 36 453.3813 C27 H51 N O4 + 948.584@5.5865912 5.5865912 (949.5784, 1971.6647)(950.5775, 1327.6649)(951.58014, 962.57)(931.57996, 8914.71)(932.583, 5356.215)(933.59534, 9967.635)(934.5991, 6007.1104)(935.59717, 2085.9102) 13 948.584 948.584@5.5865912 + C25 H51 N4 O3 5.6007514 [ C25 H51 N4 O3, mfg=74.23, overall=74.23 ] (456.40375, 3670.3303)(457.40753, 1315.1854) 33 455.3967 C25 H51 N4 O3 + C21 H45 N6 S3 5.5977483 [ C21 H45 N6 S3, mfg=86.09, overall=43.05 ] (955.5781, 8471.603)(956.5811, 3524.89)(478.29233, 38750.96)(479.29578, 10682.468)(480.3069, 6267.36)(500.27475, 1848.0776)(501.2802, 1253.02) 37 477.2852 C21 H45 N6 S3 + 1571.1796@5.6125703 5.6125703 (1572.1869, 2989.205)(1573.1925, 1788.0521)(1574.1941, 992.51794)(1575.2007, 319.17)(1594.1705, 1916.5219)(1595.1746, 1669.176)(1596.18, 990.76337) 12 1571.1796 1571.1796@5.6125703 + 813.0678@5.5904827 5.5904827 (1627.1312, 851.72754)(1628.133, 713.89)(814.0749, 6884.6143)(815.0748, 1839.9886)(816.0698, 965.91003) 31 813.0678 813.0678@5.5904827 + C37 H71 N13 O S 5.6071405 [ C37 H71 N13 O S, mfg=98.40, overall=49.20 ] (1492.1227, 689.52)(746.57043, 15612.947)(747.57324, 7230.839)(748.5733, 2190.5547)(749.5776, 311.294)(768.5482, 1618.33) 20 745.5636 C37 H71 N13 O S + 759.577@5.6334724 5.6334724 (760.5833, 936427.0)(761.5879, 346434.12)(762.59125, 94059.086)(763.59406, 18062.889)(764.59424, 2184.1233) 9 759.577 759.577@5.6334724 + 1234.8444@5.5807633 5.5807633 (1235.8524, 2884.3281)(1236.856, 2748.9043)(1237.8607, 1863.8734)(1238.858, 762.864)(1239.8328, 738.87)(1257.8362, 1149.024)(1258.8374, 1238.04)(1259.8461, 999.435) 19 1234.8444 1234.8444@5.5807633 + 168.9783@5.6057706 5.6057706 (169.98566, 5458.239)(170.9872, 689.96) 18 168.9783 168.9783@5.6057706 + 553.3171@5.605 5.605 (554.3243, 2489.79)(555.3274, 1254.0)(576.3074, 606.33) 1 553.3171 553.3171@5.605 + 910.5661@5.5977535 5.5977535 (911.573, 2996.1533)(912.5721, 1924.018)(913.5736, 1222.3207)(914.5628, 297.69) 22 910.5661 910.5661@5.5977535 + 547.3865@5.5958776 5.5958776 (548.3937, 5894.6904)(549.4101, 1322.1423) 14 547.3865 547.3865@5.5958776 + 938.5935@5.6093483 5.6093483 (939.59717, 1555.7767)(940.5926, 1182.094)(941.6079, 1415.4) 6 938.5935 938.5935@5.6093483 + 1235.3486@5.591075 5.591075 (1236.3549, 2495.77)(1237.3601, 1987.515)(1238.3633, 1129.8284) 7 1235.3486 1235.3486@5.591075 + C21 H44 N4 O3 5.6093974 [ C21 H44 N4 O3, mfg=77.39, overall=77.39 ] (401.3481, 9322.826)(402.35233, 2605.7043)(403.354, 1536.745) 32 400.3408 C21 H44 N4 O3 + 1164.8531@5.602666 5.602666 (1165.861, 1672.7667)(1166.8608, 1474.4978)(1167.849, 997.8933) 9 1164.8531 1164.8531@5.602666 + 1248.8586@5.659231 5.659231 (1249.8572, 1618.075)(1250.8613, 1443.4651)(1251.8655, 1382.475)(1252.8495, 1091.13)(1253.8533, 557.55) 2 1248.8586 1248.8586@5.659231 + 1537.1033@5.5803547 5.5803547 (1538.1108, 7199.0703)(1539.1135, 7099.16)(1540.1218, 7399.2563)(1541.1278, 4991.426)(1542.136, 1911.625) 16 1537.1033 1537.1033@5.5803547 + 952.5566@5.574498 5.574498 (953.5638, 3174.9084)(954.56696, 1950.0084)(955.57715, 6276.5156)(956.5788, 3117.7312)(957.59283, 4873.2666)(975.54095, 690.29004)(976.5478, 1045.69) 21 952.5566 952.5566@5.574498 + C27 H49 N O4 5.6116247 [ C27 H49 N O4, mfg=76.71, overall=76.71 ] (452.37332, 5265.0986)(453.37665, 1851.8748) 33 451.3659 C27 H49 N O4 + 1053.5673@5.591162 5.591162 (1054.5759, 1153.0868)(1055.5812, 1083.6866)(1056.5946, 1478.7) 3 1053.5673 1053.5673@5.591162 + 1164.3507@5.604777 5.604777 (1165.3579, 1374.4268)(1166.3607, 1497.43)(1167.3589, 1026.9233) 3 1164.3507 1164.3507@5.604777 + 441.3816@5.62037 5.62037 (442.38876, 1685.4475)(443.39136, 812.33997) 4 441.3816 441.3816@5.62037 + 1178.3657@5.6133084 5.6133084 (1179.3711, 1151.77)(1180.3743, 1123.0934) 3 1178.3657 1178.3657@5.6133084 + 926.5401@5.6069255 5.6069255 (927.54724, 28907.994)(928.55096, 15245.385)(929.5587, 10853.789)(930.56506, 4884.632)(931.57623, 4821.4966) 33 926.5401 926.5401@5.6069255 + 538.0429@5.623743 5.623743 (539.0502, 4365.733)(540.05286, 1043.9713) 12 538.0429 538.0429@5.623743 + 843.6463@5.619676 5.619676 (844.6534, 112907.57)(845.65643, 57765.152)(846.6599, 19501.193)(847.6622, 3538.152)(848.652, 2016.0)(866.638, 926.75) 35 843.6463 843.6463@5.619676 + C25 H41 O7 5.61793 [ C25 H41 O7, mfg=96.78, overall=48.39 ] (454.29233, 11114.412)(455.29626, 3070.2397)(456.29794, 935.39667)(476.2767, 1826.4948)(477.29486, 1149.976) 36 453.2852 C25 H41 O7 + 954.5714@5.6151385 5.6151385 (955.5783, 13702.842)(956.58154, 7742.612)(957.5887, 5115.6353)(958.58594, 1322.685)(937.5618, 1975.52)(938.5614, 1538.19)(939.5642, 1138.7) 21 954.5714 954.5714@5.6151385 + Leucodelphinidin 3-O-(beta-D-glucopyranosyl-(1-4)-alpha-L-rhamnopyranoside) 5.624102 Leucodelphinidin 3-O-(beta-D-glucopyranosyl-(1-4)-alpha-L-rhamnopyranoside) [ C27 H34 O17, db=47.91, overall=47.91, Lipid ID=LMPK12020207, METLIN ID=47423 ] (1261.3613, 2063.605)(1262.3663, 1714.6599)(1263.3667, 1149.2444)(1243.3485, 1046.16)(1244.3578, 1055.52)(1245.3462, 777.15) 10 1260.3538 Leucodelphinidin 3-O-(beta-D-glucopyranosyl-(1-4)-alpha-L-rhamnopyranoside) + LMPK12020207 1539.1195@5.550503 5.550503 (1540.1239, 11251.83)(1541.1288, 9622.603)(1542.1394, 12175.615)(1543.1467, 19723.715)(1562.1154, 1260.29)(1563.1129, 1336.69)(1564.1235, 2449.96)(1565.1255, 2075.2) 7 1539.1195 1539.1195@5.550503 + 1?,25-dihydroxy-24-oxo-23-azavitamin D2 / 1?,25-dihydroxy-24-oxo-23-azaergocalciferol 5.6232924 1?,25-dihydroxy-24-oxo-23-azavitamin D2 / 1?,25-dihydroxy-24-oxo-23-azaergocalciferol [ C27 H43 N O4, mfg=70.58, db=70.60, overall=70.59, Lipid ID=LMST03010007, METLIN ID=41893 ] (446.32608, 8815.169)(447.33508, 2449.8096) 19 445.3189 1?,25-dihydroxy-24-oxo-23-azavitamin D2 / 1?,25-dihydroxy-24-oxo-23-azaergocalciferol + LMST03010007 1172.841@5.6221595 5.6221595 (1173.8485, 7623.3555)(1174.8542, 6395.3433)(1175.8591, 2649.4216)(1176.8655, 932.6425)(1177.8739, 305.75) 27 1172.841 1172.841@5.6221595 + 799.0525@5.617661 5.617661 (1616.1381, 839.405)(1617.1449, 812.14)(800.0602, 5060.9355)(801.0667, 1345.5988)(802.07385, 1187.0846) 25 799.0525 799.0525@5.617661 + C33 H47 N2 O7 5.626014 [ C33 H47 N2 O7, mfg=89.78, overall=89.78 ] (584.34607, 7063.771)(585.3497, 2458.075)(586.35535, 912.93994) 12 583.3385 C33 H47 N2 O7 + 1172.339@5.6183486 5.6183486 (1173.3466, 5751.9487)(1174.3514, 6573.046)(1175.3562, 3420.3857)(1176.362, 1028.86) 29 1172.339 1172.339@5.6183486 + Gymnodimine 5.623964 C20025 Gymnodimine [ C32 H45 N O4, mfg=61.48, db=61.20, overall=61.34, CAS ID=173792-58-0, KEGG ID=C20025, METLIN ID=73510 ] 173792-58-0 (508.339, 3075.174)(509.3426, 1119.8154)(530.3224, 2160.7476)(531.326, 902.2375)(532.336, 1145.18) 15 507.3315 Gymnodimine + LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 5.6248355 LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C27 H44 N O7 P, db=91.76, overall=45.88, HMP ID=HMDB11496, METLIN ID=62284 ] (1051.5764, 4539.63)(1052.5765, 3912.8835)(1053.5802, 1909.64)(1073.5587, 1373.4867)(1074.5592, 1227.79)(1075.5632, 664.65)(526.29266, 126426.17)(527.2959, 37636.34)(528.303, 11205.958)(529.31165, 3268.5974)(530.3202, 2306.97)(548.27435, 8725.894)(549.2779, 3411.3884)(550.2855, 1386.3677)(551.2914, 684.67) 35 525.2852 LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB11496 + 942.5212@5.609854 5.609854 (943.52924, 2758.6704)(944.54285, 1671.1394)(945.5448, 1077.0566)(925.5301, 747.51) 17 942.5212 942.5212@5.609854 + 1118.7058@5.63 5.63 (1119.7131, 1292.73)(1120.7253, 1077.72) 1 1118.7058 1118.7058@5.63 + PE(24:1(15Z)/14:1(9Z)) + 5.6096344 5.6096344 C00350 PE(24:1(15Z)/14:1(9Z)) [ C43 H82 N O8 P, db=64.46, overall=64.46, KEGG ID=C00350, HMP ID=HMDB09746, METLIN ID=61131 ] (1566.1406, 5767.3345)(1567.1447, 5530.27)(1568.1528, 5656.5063)(1569.1593, 4900.9097)(1570.1666, 4040.15)(1571.1709, 2350.49)(1572.1743, 1012.65) 23 1565.1342 PE(24:1(15Z)/14:1(9Z)) + 5.6096344 HMDB09746 + 1305.823@5.602002 5.602002 (1306.8328, 1976.652)(1307.8405, 1897.7703)(1308.844, 1400.3562)(1328.8231, 933.29) 10 1305.823 1305.823@5.602002 + 1332.8575@5.62822 5.62822 (1333.8636, 4231.22)(1334.8667, 3074.7766)(1335.8735, 3000.49)(1336.8763, 1332.37)(1355.8478, 1809.5631)(1356.8497, 1521.5167)(1357.8542, 1148.3049) 3 1332.8575 1332.8575@5.62822 + 1460.4879@5.632 5.632 (1461.4952, 997.84)(1462.502, 1230.34)(1463.5103, 544.99) 1 1460.4879 1460.4879@5.632 + 569.2497@5.631603 5.631603 (570.25696, 2702.93)(571.25946, 1034.7675) 6 569.2497 569.2497@5.631603 + C19 H38 N2 O3 + 5.6137967 5.6137967 [ C19 H38 N2 O3, mfg=98.38, overall=98.38 ] (343.29517, 26532.99)(344.29834, 6162.4053)(345.29987, 1173.8341)(365.277, 16641.062)(366.28055, 3705.1108)(367.2815, 1327.2141) 32 342.288 C19 H38 N2 O3 + 5.6137967 + C29 H52 N2 O6 S3 5.6331186 [ C29 H52 N2 O6 S3, mfg=79.12, overall=79.12 ] (621.30304, 3335.593)(622.3066, 1174.9614)(623.31836, 903.345)(603.2928, 2582.2803)(604.29736, 1038.8578)(643.2849, 1000.675) 15 620.2959 C29 H52 N2 O6 S3 + 495.332@5.636115 5.636115 (496.33896, 3049.4375)(497.34235, 1027.0425) 4 495.332 495.332@5.636115 + 1308.8578@5.5931044 5.5931044 (1309.858, 3264.6199)(1310.8634, 2555.5737)(1311.8741, 4604.868)(1312.8821, 4885.7397)(1313.8911, 4153.565)(1314.8901, 1757.52)(1315.8843, 928.11) 5 1308.8578 1308.8578@5.5931044 + 1280.8295@5.614704 5.614704 (1281.8357, 1970.4298)(1282.8397, 1603.9554)(1283.8512, 4274.8354)(1284.8544, 3477.7456)(1285.8613, 2954.84)(1286.8667, 1105.255)(1287.881, 2789.29)(1303.8201, 1451.8424)(1304.819, 1350.7699)(1305.8337, 4140.125)(1306.8381, 1144.76)(1307.8445, 954.57) 11 1280.8295 1280.8295@5.614704 + 17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate 5.6339655 C15331 17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate [ C23 H36 O3, mfg=67.64, db=67.47, overall=67.56, KEGG ID=C15331, METLIN ID=70804 ] (361.27332, 3043.413)(362.27612, 1126.5645) 18 360.266 17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate + 1272.857@5.6157455 5.6157455 (1273.8661, 1048.9667)(1274.8713, 1045.8667)(1275.8721, 914.32666)(1295.8446, 924.14) 3 1272.857 1272.857@5.6157455 + 1434.9816@5.636219 5.636219 (1435.9901, 1364.7933)(1436.9938, 1681.5665)(1438.0004, 1369.4199)(1439.0029, 1152.69) 3 1434.9816 1434.9816@5.636219 + 1326.8112@5.6306114 5.6306114 (1327.8184, 2202.9575)(1328.8232, 1812.005)(1329.8301, 1790.4762)(1330.836, 1245.8826)(1331.8474, 2478.72) 8 1326.8112 1326.8112@5.6306114 + 1159.8329@5.6279507 5.6279507 (1160.8401, 3618.3337)(1161.8458, 2628.1086)(1162.852, 1638.99)(1163.8585, 837.77) 8 1159.8329 1159.8329@5.6279507 + 1056.1997@5.6362376 5.6362376 (1057.2069, 1484.995)(1058.2139, 1146.255)(1059.2198, 892.84) 2 1056.1997 1056.1997@5.6362376 + 1026.57@5.638554 5.638554 (1027.5768, 3678.2634)(1028.5801, 2626.02)(1029.5868, 1339.2999)(1049.5598, 1444.475)(1050.56, 1298.56) 3 1026.57 1026.57@5.638554 + C25 H47 N O4 5.638111 [ C25 H47 N O4, mfg=82.19, overall=82.19 ] (426.35745, 212915.98)(427.36066, 57874.98)(448.34027, 3314.3813)(449.34027, 2085.312) 37 425.3502 C25 H47 N O4 + 1186.3549@5.631162 5.631162 (1187.3608, 4526.972)(1188.365, 4768.9497)(1189.3688, 2246.7366)(1190.3635, 686.6418)(1209.3531, 1162.99)(1210.3533, 810.195) 25 1186.3549 1186.3549@5.631162 + 1446.9763@5.63653 5.63653 (1447.9854, 1154.05)(1448.9927, 1307.1074)(1449.9998, 1255.2975)(1451.0059, 1147.1533)(1452.0135, 1055.93)(1453.0175, 219.46) 4 1446.9763 1446.9763@5.63653 + 1285.862@5.637646 5.637646 (1286.8679, 2905.9275)(1287.8789, 3142.9927)(1288.8843, 2863.827)(1308.8452, 1019.31)(1309.8636, 1189.26) 4 1285.862 1285.862@5.637646 + C23 H47 N4 O3 5.640564 [ C23 H47 N4 O3, mfg=98.19, overall=98.19 ] (428.37238, 62313.906)(429.37604, 16267.037)(430.3802, 3108.4346)(431.38223, 437.11337)(450.35242, 1353.3866)(451.3568, 941.4) 37 427.3652 C23 H47 N4 O3 + 1421.968@5.6381073 5.6381073 (1422.9788, 761.33997)(1423.9867, 840.88)(1424.989, 1019.01) 2 1421.968 1421.968@5.6381073 + 1579.119@5.6050653 5.6050653 (1580.1501, 1245.575)(1581.1514, 1449.3375)(1582.1531, 1190.5249)(1583.1432, 617.2267) 4 1579.119 1579.119@5.6050653 + 1042.1836@5.645 5.645 (1043.1909, 1006.22)(1044.198, 881.22)(1045.2083, 1122.18) 1 1042.1836 1042.1836@5.645 + 1331.84@5.6136603 5.6136603 (1332.8497, 1967.25)(1333.8534, 1073.33)(1334.8638, 989.24)(1335.8597, 859.68)(1336.8752, 523.28) 3 1331.84 1331.84@5.6136603 + C41 H75 N3 O2 S2 5.647401 [ C41 H75 N3 O2 S2, mfg=93.00, overall=46.50 ] (706.53754, 4346.3774)(707.5409, 2011.1298)(708.54114, 896.01373)(728.5158, 846.5867) 27 705.5297 C41 H75 N3 O2 S2 + 993.5424@5.571306 5.571306 (994.54956, 986.385)(995.5508, 812.12)(996.5722, 943.11) 2 993.5424 993.5424@5.571306 + 1294.8314@5.5709243 5.5709243 (1295.8405, 1610.1014)(1296.8434, 1251.597)(1297.8528, 1039.222)(1298.8596, 734.04) 7 1294.8314 1294.8314@5.5709243 + Fexofenadine + 5.6458764 5.6458764 C06999 Fexofenadine [ C32 H39 N O4, mfg=67.69, db=64.75, overall=66.22, CAS ID=83799-24-0, KEGG ID=C06999, HMP ID=HMDB05030, METLIN ID=2766 ] 83799-24-0 (1003.5749, 1928.1238)(1004.5775, 1488.0859)(1005.588, 1464.99)(1006.6022, 938.03)(1007.6076, 785.34)(1025.5592, 1109.1934)(502.29248, 92274.13)(503.29593, 26640.588)(504.30515, 16873.414)(505.30978, 3665.1748)(506.3213, 941.2757)(524.27466, 7964.1562)(525.27814, 2774.1519) 37 501.2852 Fexofenadine + 5.6458764 HMDB05030 + Belladonnine 5.645353 C10845 Belladonnine [ C34 H42 N2 O4, mfg=35.21, db=63.46, overall=49.33, CAS ID=510-25-8, KEGG ID=C10845, METLIN ID=68625 ] 510-25-8 (560.34546, 3911.7078)(561.3489, 1555.8137)(562.35675, 994.13995) 17 559.338 Belladonnine + 794.0615@5.6344132 5.6344132 (795.06836, 16736.488)(796.07513, 7490.9443)(797.0763, 1793.335)(812.0884, 872.14) 32 794.0615 794.0615@5.6344132 + 781.053@5.6240582 5.6240582 (1580.1538, 865.91)(782.0602, 10887.931)(783.067, 2956.3076)(784.078, 5432.5625)(799.0905, 624.21) 13 781.053 781.053@5.6240582 + 1173.3455@5.6265697 5.6265697 (1174.3517, 8038.349)(1175.3575, 5191.087)(1176.3641, 2171.1414)(1177.3706, 804.238) 18 1173.3455 1173.3455@5.6265697 + 1258.845@5.638881 5.638881 (1259.8517, 2307.6958)(1260.8566, 2091.835)(1261.8646, 2904.6445)(1262.868, 2441.0125)(1263.875, 1374.7001)(1264.8842, 1321.8)(1265.8938, 1154.9)(1241.839, 673.8)(1242.8455, 1085.14)(1243.8468, 530.64)(1281.8353, 2062.2556)(1282.8398, 1646.0658)(1283.8512, 2391.145)(1284.8552, 1816.1)(1285.8644, 1489.54)(1286.8677, 1140.59)(1287.879, 2268.8) 15 1258.845 1258.845@5.638881 + 748.5728@5.65 5.65 (749.5801, 1038.72) 1 748.5728 748.5728@5.65 + 545.2493@5.6476884 5.6476884 (546.2565, 2745.448)(547.2598, 1026.8384) 10 545.2493 545.2493@5.6476884 + 1173.8481@5.6473465 5.6473465 (1174.8557, 6330.0835)(1175.8617, 3835.854)(1176.864, 1257.5074) 5 1173.8481 1173.8481@5.6473465 + 1423.4832@5.651 5.651 (1424.4905, 1066.66)(1425.496, 1323.14)(1426.5006, 1091.23) 1 1423.4832 1423.4832@5.651 + 509.3476@5.6477847 5.6477847 (510.35422, 3184.7937)(511.3571, 1319.44)(512.3505, 1674.53)(532.3377, 1200.54) 6 509.3476 509.3476@5.6477847 + PE(20:3(5Z,8Z,11Z)/20:2(11Z,14Z)) 5.6434307 C00350 PE(20:3(5Z,8Z,11Z)/20:2(11Z,14Z)) [ C45 H80 N O8 P, db=63.59, overall=63.59, KEGG ID=C00350, HMP ID=HMDB09330, METLIN ID=60726 ] (794.5683, 22251.324)(795.57263, 15042.323)(796.57043, 13409.689) 23 793.5606 PE(20:3(5Z,8Z,11Z)/20:2(11Z,14Z)) HMDB09330 + 505.314@5.6543446 5.6543446 (506.3224, 2896.2654)(507.32574, 1143.3225) 9 505.314 505.314@5.6543446 + 783.07@5.650009 5.650009 (1567.1456, 5741.57)(1568.1539, 6668.86)(784.0777, 4228.322)(785.0859, 2839.72)(786.0893, 1586.68) 6 783.07 783.07@5.650009 + 848.5415@5.5953016 5.5953016 (849.5473, 8758.5)(850.5637, 5502.67) 2 848.5415 848.5415@5.5953016 + 1186.8564@5.6376653 5.6376653 (1187.8638, 5718.1753)(1188.8694, 4419.329)(1189.8699, 1643.3206)(1190.8663, 532.95667)(1209.8508, 917.2)(1210.8444, 713.65)(1211.848, 693.81) 23 1186.8564 1186.8564@5.6376653 + 1288.8859@5.658 5.658 (1289.8932, 4049.56)(1290.8984, 2649.0)(1291.8983, 1195.09) 1 1288.8859 1288.8859@5.658 + 1437.999@5.6556005 5.6556005 (1439.0059, 1148.205)(1440.0134, 1093.1799)(1441.019, 1272.51) 2 1437.999 1437.999@5.6556005 + 491.3009@5.659 5.659 (983.6089, 2876.36)(984.614, 1721.16)(492.3082, 1114.07) 1 491.3009 491.3009@5.659 + 1187.36@5.6824913 5.6824913 (1188.3679, 4957.386)(1189.3724, 3070.256)(1190.3649, 1170.9551)(1191.352, 216.16) 5 1187.36 1187.36@5.6824913 + C23 H55 N8 S3 5.658367 [ C23 H55 N8 S3, mfg=72.00, overall=72.00 ] (540.3768, 2296.1719)(541.3798, 925.2856)(542.3827, 725.83)(562.3571, 709.17) 19 539.3695 C23 H55 N8 S3 + 739.4585@5.6649942 5.6649942 (740.4659, 4891.077)(741.4693, 2217.338)(742.4716, 1011.74994)(762.4535, 1541.58) 14 739.4585 739.4585@5.6649942 + 1213.374@5.661 5.661 (1214.3813, 1191.95)(1215.3845, 1025.23)(1216.3514, 1104.57) 1 1213.374 1213.374@5.661 + 1045.2087@5.661 5.661 (1046.216, 1579.63)(1047.2167, 1092.12)(1048.2299, 1128.54) 1 1045.2087 1045.2087@5.661 + LysoPE(0:0/18:0) 5.6583056 LysoPE(0:0/18:0) [ C23 H48 N O7 P, db=99.73, overall=49.87, HMP ID=HMDB11129, METLIN ID=61992 ] (963.63556, 972.26337)(964.63, 471.14)(482.32385, 80254.58)(483.32703, 21142.38)(484.32993, 3875.03)(485.33014, 760.71)(504.30582, 9861.248)(505.31006, 2603.2864)(506.3217, 2225.09) 37 481.3164 LysoPE(0:0/18:0) HMDB11129 + 842.5733@5.7326255 5.7326255 (843.5829, 2028.4299)(844.5858, 1038.25)(860.6068, 2417.31)(861.6129, 1163.35) 2 842.5733 842.5733@5.7326255 + 1238.8746@5.6606135 5.6606135 (1239.8811, 1573.7706)(1240.883, 1244.1006)(1241.8855, 1239.065)(1242.8926, 1037.7401)(1243.8691, 1159.35)(1261.8632, 1935.9199)(1262.8654, 1393.255)(1263.8722, 1508.64) 18 1238.8746 1238.8746@5.6606135 + 1200.3695@5.6790686 5.6790686 (1201.3765, 2672.1438)(1202.3805, 2410.7815)(1203.3665, 1081.8834)(1223.3557, 729.6) 8 1200.3695 1200.3695@5.6790686 + 795.0687@5.6351714 5.6351714 (796.0758, 10924.919)(797.0799, 2143.3733)(798.088, 2394.087)(799.0973, 687.43) 16 795.0687 795.0687@5.6351714 + 1266.9056@5.6601014 5.6601014 (1267.9143, 2284.4663)(1268.9175, 1823.4724)(1269.9161, 1080.7275)(1289.8944, 2024.4633)(1290.8966, 1374.8966)(1291.9017, 807.22) 8 1266.9056 1266.9056@5.6601014 + C25 H45 N O4 5.6651278 [ C25 H45 N O4, mfg=81.88, overall=81.88 ] (424.3417, 89685.664)(425.345, 25089.771)(446.32364, 1427.3016) 37 423.3344 C25 H45 N O4 + 947.5012@5.718541 5.718541 (948.5105, 1179.435)(949.514, 858.385)(950.523, 1173.45) 2 947.5012 947.5012@5.718541 + C24 H47 N O4 5.6691985 [ C24 H47 N O4, mfg=86.94, overall=86.94 ] (414.3571, 6098.6333)(415.36008, 1743.4519)(416.36368, 743.9875) 37 413.35 C24 H47 N O4 + 799.6077@5.713952 5.713952 (800.6116, 13374.957)(801.61523, 8631.25)(802.6111, 6250.29)(822.594, 5485.41)(823.6188, 2602.4) 4 799.6077 799.6077@5.713952 + LysoPE(0:0/18:1(11Z)) + 5.671535 5.671535 LysoPE(0:0/18:1(11Z)) [ C23 H46 N O7 P, db=81.84, overall=40.92, HMP ID=HMDB11475, METLIN ID=62263 ] (959.603, 1399.11)(976.6393, 626.04)(981.5924, 779.845)(480.3081, 39776.74)(481.31137, 10050.313)(502.2917, 13493.6) 35 479.3009 LysoPE(0:0/18:1(11Z)) + 5.671535 HMDB11475 + 5?-Cholane-3?,7?,23,24-tetrol 5.672421 5?-Cholane-3?,7?,23,24-tetrol [ C24 H42 O4, mfg=46.66, db=71.16, overall=58.91, METLIN ID=42886 ] (412.34152, 3613.2478)(413.34515, 1298.7848) 24 411.3344 5?-Cholane-3?,7?,23,24-tetrol + 1216.34@5.673 5.673 (1217.3473, 1401.26)(1218.3549, 1165.81) 1 1216.34 1216.34@5.673 + 499.2695@5.6791496 5.6791496 (500.27637, 35238.3)(501.2797, 9601.026) 3 499.2695 499.2695@5.6791496 + 794.5665@5.6749 5.6749 (1590.1389, 974.63)(795.5737, 20058.52)(796.57306, 14178.43) 5 794.5665 794.5665@5.6749 + 749.4838@5.6873937 5.6873937 (750.49115, 10087.032)(751.49475, 4722.9653)(752.495, 2042.8451)(753.49457, 544.57)(767.5157, 1018.4)(772.4742, 2686.762)(773.4777, 1521.576)(774.4742, 740.315) 18 749.4838 749.4838@5.6873937 + 1265.894@5.68 5.68 (1266.9012, 1605.24) 1 1265.894 1265.894@5.68 + C18-OH Sulfatide 5.662143 C18-OH Sulfatide [ C42 H81 N O12 S, db=76.45, overall=76.45, Lipid ID=LMSP06020004, METLIN ID=41625 ] (824.55817, 25794.031)(825.561, 12050.935)(826.55756, 8014.858)(827.5606, 2003.941) 22 823.5498 C18-OH Sulfatide + LMSP06020004 797.5329@5.690344 5.690344 (798.54114, 15630.339)(799.54596, 5227.524)(800.54944, 3346.2852)(820.5168, 997.71)(821.5106, 572.7) 8 797.5329 797.5329@5.690344 + 808.0769@5.667867 5.667867 (809.0842, 11465.708)(810.0882, 2885.136)(811.0841, 826.08)(831.0623, 729.6) 23 808.0769 808.0769@5.667867 + 867.5293@5.7174015 5.7174015 (868.5405, 4229.085)(869.54315, 2475.7102)(870.5471, 881.22)(890.51587, 3035.025)(891.5232, 2091.61)(892.5335, 4525.7) 4 867.5293 867.5293@5.7174015 + 807.5757@5.6817484 5.6817484 (808.58276, 204772.58)(809.586, 99478.95)(810.5973, 24848.73)(811.6019, 3015.33) 4 807.5757 807.5757@5.6817484 + Buprenorphine 5.68811 C08007 Buprenorphine [ C29 H41 N O4, mfg=46.12, db=56.14, overall=51.13, CAS ID=52485-79-7, KEGG ID=C08007, METLIN ID=1420 ] 52485-79-7 (957.5825, 1116.83)(468.30807, 3203.2666)(469.32007, 1827.915)(470.3208, 564.66)(490.29193, 847.22595) 24 467.301 Buprenorphine + C6 H11 N 5.6901274 [ C6 H11 N, mfg=70.08, overall=70.08 ] (98.09633, 11384.129)(99.09676, 1401.3615)(115.1198, 760.5) 33 97.089 C6 H11 N + C25 H43 N O4 5.688557 [ C25 H43 N O4, mfg=78.47, overall=78.47 ] (422.32574, 10482.76)(423.32898, 3268.4062) 17 421.3183 C25 H43 N O4 + 827.534@5.6851373 5.6851373 (828.54816, 3311.8767)(829.5542, 833.315)(830.5584, 399.7) 3 827.534 827.534@5.6851373 + C27 H37 N3 O6 5.691706 [ C27 H37 N3 O6, mfg=75.36, overall=37.68 ] (999.5319, 987.5)(500.27536, 14896.881)(501.27896, 3461.8647)(522.2568, 2922.3328)(523.26044, 1109.572) 15 499.2679 C27 H37 N3 O6 + 782.0611@5.809481 5.809481 (783.06836, 9170.466)(784.0729, 1995.4968) 30 782.0611 782.0611@5.809481 + 1271.3468@5.622765 5.622765 (1272.3489, 1036.59)(1273.3562, 1154.78)(1274.3665, 928.995) 2 1271.3468 1271.3468@5.622765 + 798.5422@5.6435304 5.6435304 (799.5506, 10799.325)(800.55365, 3973.0037)(801.5727, 1924.43) 6 798.5422 798.5422@5.6435304 + 5-hexenal 5.697753 5-hexenal [ C6 H10 O, mfg=47.51, db=50.62, overall=49.06, Lipid ID=LMFA06000005, METLIN ID=36527 ] (116.106865, 36801.273)(117.10534, 7024.228)(98.0964, 7573.82)(99.0968, 915.13) 27 115.0996 5-hexenal + LMFA06000005 1436.9932@5.699 5.699 (1438.0005, 1157.28) 1 1436.9932 1436.9932@5.699 + C23 H45 N O4 5.696887 [ C23 H45 N O4, mfg=99.64, overall=99.64 ] (400.34183, 250303.66)(401.34494, 64780.29)(402.34842, 10422.855)(403.3515, 1191.5991)(422.32513, 5495.24)(423.32837, 1775.5643) 37 399.3346 C23 H45 N O4 + 1278.8188@5.6771846 5.6771846 (1279.8188, 959.17993)(1280.8253, 844.81665)(1281.8329, 1919.4501)(1282.8383, 1388.61)(1283.8475, 2147.1033)(1296.856, 1212.95)(1297.8492, 899.2) 3 1278.8188 1278.8188@5.6771846 + 1306.8376@5.6857996 5.6857996 (1307.8448, 2239.602)(1308.8511, 1907.5775)(1309.8545, 1470.225) 5 1306.8376 1306.8376@5.6857996 + 1259.8494@5.6425667 5.6425667 (1260.8562, 1973.8037)(1261.8643, 2379.5427)(1262.8674, 1586.9958) 8 1259.8494 1259.8494@5.6425667 + C26 H35 N7 O2 5.7005816 [ C26 H35 N7 O2, mfg=80.39, overall=40.20 ] (955.5766, 6667.0005)(956.57947, 4915.167)(957.5858, 7023.445)(977.5571, 1792.8534)(978.5597, 1381.335)(979.5663, 1143.51)(478.29248, 96495.87)(479.29578, 26211.867)(480.3059, 26807.111)(500.275, 6161.0796)(501.27853, 1802.5708) 37 477.2852 C26 H35 N7 O2 + 1262.8754@5.6864004 5.6864004 (1263.8805, 2894.337)(1264.8837, 1959.6531)(1265.8907, 1034.5425)(1266.9014, 650.51)(1285.8644, 3587.3076)(1286.8678, 2688.8298)(1287.8729, 1103.19) 10 1262.8754 1262.8754@5.6864004 + 835.0809@5.708028 5.708028 (836.08777, 4543.0645)(837.0891, 1144.7329)(838.0589, 877.43) 29 835.0809 835.0809@5.708028 + 1044.1997@5.705082 5.705082 (1045.2065, 1081.7151)(1046.2139, 1027.685)(1047.2238, 1080.135) 2 1044.1997 1044.1997@5.705082 + 918.5688@5.631685 5.631685 (919.5739, 3797.8916)(920.5775, 2579.207)(921.5665, 2994.0098)(922.56903, 1424.3334)(923.55585, 1050.5349) 9 918.5688 918.5688@5.631685 + 1270.8353@5.705 5.705 (1271.8425, 531.31)(1272.8544, 999.77)(1273.8589, 620.14) 1 1270.8353 1270.8353@5.705 + 1437.4934@5.705 5.705 (1438.5007, 1086.51)(1439.5068, 854.31) 1 1437.4934 1437.4934@5.705 + C28 H41 N9 O2 5.7019854 [ C28 H41 N9 O2, mfg=73.25, overall=73.25 ] (536.3453, 3263.1711)(537.35, 1265.2258) 20 535.3388 C28 H41 N9 O2 + 734.5648@5.729747 5.729747 (735.572, 7814.1465)(736.5749, 1965.8713) 9 734.5648 734.5648@5.729747 + 336.2663@5.6737914 5.6737914 (337.2736, 2535.47)(338.27795, 833.26) 3 336.2663 336.2663@5.6737914 + 1044.7029@5.707 5.707 (1045.7102, 1657.26)(1046.716, 1178.29)(1047.7249, 1129.18) 1 1044.7029 1044.7029@5.707 + 914.5686@5.7162223 5.7162223 (915.57605, 2571.492)(916.5818, 2847.1675)(917.5863, 1634.675)(937.5593, 2165.85) 5 914.5686 914.5686@5.7162223 + 1232.8291@5.614029 5.614029 (1233.8351, 2326.4585)(1234.8423, 1804.11)(1235.852, 3295.3735)(1236.856, 3356.4026)(1237.8641, 3905.3533)(1250.8684, 1521.5701)(1251.8634, 957.67004)(1252.865, 1195.29)(1255.8231, 1362.3)(1256.8265, 1316.1)(1257.8342, 3793.08)(1258.8398, 2679.16)(1259.8494, 3932.21) 14 1232.8291 1232.8291@5.614029 + 1424.9934@5.688225 5.688225 (1425.9988, 851.435)(1427.0054, 1026.45)(1428.0142, 664.21497) 2 1424.9934 1424.9934@5.688225 + 562.7315@5.7004576 5.7004576 (563.73816, 2694.112) 5 562.7315 562.7315@5.7004576 + 562.3963@5.705241 5.705241 (563.4035, 4763.9185)(564.4035, 861.2534) 17 562.3963 562.3963@5.705241 + 465.2844@5.711231 5.711231 (931.5754, 4725.125)(932.57465, 3356.815)(933.5919, 2719.14)(466.29224, 1857.665)(467.2955, 675.08) 2 465.2844 465.2844@5.711231 + C23 H43 N O4 5.7071056 [ C23 H43 N O4, mfg=82.79, overall=82.79 ] (398.32602, 57035.277)(399.3296, 14914.076) 37 397.3187 C23 H43 N O4 + 1237.862@5.6580563 5.6580563 (1238.8672, 2245.0525)(1239.8745, 2626.4624)(1240.875, 1928.09)(1241.8903, 1700.71)(1260.8519, 3021.53) 4 1237.862 1237.862@5.6580563 + 952.5583@5.6242895 5.6242895 (953.5631, 2422.274)(954.567, 1763.748)(955.5785, 9193.99)(956.5805, 5036.28)(957.5908, 2364.27)(975.5395, 795.13) 5 952.5583 952.5583@5.6242895 + 515.2631@5.7328444 5.7328444 (516.2706, 2475.5923)(517.2735, 1200.94)(498.2572, 3406.68)(499.2621, 1162.97) 4 515.2631 515.2631@5.7328444 + C25 H14 N4 O12 5.7051654 [ C25 H14 N4 O12, mfg=73.01, overall=73.01 ] (563.069, 5188.1694)(564.07135, 1126.3882) 18 562.0617 C25 H14 N4 O12 + 955.505@5.81734 5.81734 (956.51337, 1899.4779)(957.51855, 1276.066)(958.5199, 1459.904)(959.5284, 758.72)(960.5233, 908.96) 5 955.505 955.505@5.81734 + 772.5806@5.6621075 5.6621075 (1546.1685, 5604.99)(1547.1731, 3395.16)(1548.1746, 1607.01)(773.5886, 29782.164)(790.6157, 21336.07)(791.6159, 4997.74) 2 772.5806 772.5806@5.6621075 + 872.5581@5.718 5.718 (873.5626, 1685.73)(855.5579, 3201.28) 1 872.5581 872.5581@5.718 + 1260.856@5.678267 5.678267 (1261.8622, 2944.7666)(1262.8671, 2001.1)(1263.8748, 883.78) 3 1260.856 1260.856@5.678267 + 1210.8477@5.6803894 5.6803894 (1211.8539, 1338.8767)(1212.8547, 1118.47)(1213.8683, 2446.515)(1214.8751, 1421.34)(1215.8754, 860.38)(1233.8368, 2522.45)(1234.842, 2010.29)(1235.8517, 2773.52) 3 1210.8477 1210.8477@5.6803894 + 865.5359@5.6787786 5.6787786 (866.541, 3951.2722)(867.5438, 2637.6792)(868.53906, 2571.8137)(869.53925, 748.34247)(870.548, 4183.77) 10 865.5359 865.5359@5.6787786 + 435.2746@5.7212057 5.7212057 (436.2822, 1888.8856)(437.28503, 920.89667) 11 435.2746 435.2746@5.7212057 + LysoPE(0:0/16:0) 5.7185373 LysoPE(0:0/16:0) [ C21 H44 N O7 P, db=99.37, overall=49.69, HMP ID=HMDB11473, METLIN ID=62261 ] (907.57355, 3017.894)(908.5778, 2347.4033)(909.5788, 2561.0)(929.56036, 1621.8467)(930.5671, 1349.49)(931.5745, 1498.23)(454.2924, 93122.32)(455.296, 23067.873)(456.29877, 4099.805)(457.3014, 1199.5483)(476.2756, 11274.751)(477.28204, 3128.7246) 37 453.2853 LysoPE(0:0/16:0) HMDB11473 + 539.2647@5.718231 5.718231 (540.2715, 2725.17)(541.27454, 1054.1951)(542.2867, 1313.66)(543.2917, 250.41) 2 539.2647 539.2647@5.718231 + C39 H43 5.7188554 [ C39 H43, mfg=64.25, overall=64.25 ] (512.34534, 2719.1152)(513.3409, 1124.6406) 25 511.3377 C39 H43 + C23 H31 N9 O4 5.720133 [ C23 H31 N9 O4, mfg=78.42, overall=78.42 ] (1012.5417, 830.08)(498.25656, 3317.5796)(499.26077, 1030.2) 29 497.2496 C23 H31 N9 O4 + 552.7184@5.719266 5.719266 (553.7254, 3400.254)(554.7281, 1008.375) 19 552.7184 552.7184@5.719266 + 907.5171@5.729 5.729 (908.5244, 3110.02) 1 907.5171 907.5171@5.729 + 557.275@5.728152 5.728152 (558.2821, 4587.6846)(559.28595, 1551.6478)(560.294, 697.06)(540.2724, 1595.03)(541.2745, 710.78)(580.2654, 1074.3833) 5 557.275 557.275@5.728152 + C23 H41 N O4 5.7301216 [ C23 H41 N O4, mfg=82.23, overall=82.23 ] (791.6176, 1651.15)(396.3104, 16266.948)(397.31345, 4361.2407)(418.2916, 908.1884) 35 395.3031 C23 H41 N O4 + 393.2875@5.727985 5.727985 (804.6145, 857.74)(394.29504, 12580.96)(395.29846, 3318.6243) 12 393.2875 393.2875@5.727985 + C22 H43 N O4 5.734979 [ C22 H43 N O4, mfg=77.87, overall=77.87 ] (386.32614, 5510.2427)(387.3292, 1615.9329)(388.3367, 754.1913) 29 385.3186 C22 H43 N O4 + 342.2878@5.6984196 5.6984196 (343.29504, 9620.332)(344.29654, 2462.1218)(345.30206, 821.39)(365.27695, 6279.027)(366.2803, 1770.61)(367.2824, 980.07) 6 342.2878 342.2878@5.6984196 + C24 H33 N7 O2 5.7423835 [ C24 H33 N7 O2, mfg=72.05, overall=36.03 ] (903.5448, 1817.125)(452.27704, 3376.4993)(453.281, 1250.0537)(474.2601, 1147.9133) 25 451.2691 C24 H33 N7 O2 + PE(O-18:0/0:0) 5.7415977 PE(O-18:0/0:0) [ C23 H50 N O6 P, db=58.49, overall=29.24, Lipid ID=LMGP02060003, METLIN ID=46717 ] (468.34497, 2856.247)(469.34735, 2445.655)(490.326, 1075.34) 17 467.3377 PE(O-18:0/0:0) + LMGP02060003 87.0684@5.751166 5.751166 (175.1447, 1255.64)(88.07572, 100626.39)(89.07878, 6465.128) 5 87.0684 87.0684@5.751166 + C22 H39 N O4 5.752453 [ C22 H39 N O4, mfg=70.51, overall=70.51 ] (382.29492, 10552.084)(383.29807, 3098.6147)(384.30405, 2247.0)(385.3083, 658.75)(404.2757, 923.12) 33 381.2874 C22 H39 N O4 + 717.566@5.703049 5.703049 (718.57367, 2917.6233)(719.5774, 1503.0581)(720.55615, 2297.66)(740.554, 1164.79) 6 717.566 717.566@5.703049 + 314.256@5.7510114 5.7510114 (315.2639, 3083.202)(316.2679, 1157.8134)(337.2462, 2008.085)(338.2486, 1047.94) 6 314.256 314.256@5.7510114 + clavirin II 5.726158 clavirin II [ C17 H22 O4, mfg=47.43, db=66.69, overall=57.06, Lipid ID=LMFA03120026, METLIN ID=36409 ] (603.2925, 5544.239)(604.296, 2210.9324)(605.30414, 1647.9365) 19 602.2851 clavirin II + LMFA03120026 341.2563@5.7568197 5.7568197 (342.26337, 4237.9365)(343.26602, 1170.4779) 11 341.2563 341.2563@5.7568197 + C27 H50 N5 O5 S3 5.757656 [ C27 H50 N5 O5 S3, mfg=83.28, overall=83.28 ] (621.3034, 2380.9626)(622.3058, 1198.8073)(623.3158, 1109.33)(603.29266, 5790.69)(604.29535, 2135.4343)(605.3052, 1228.465)(643.2847, 2002.0863)(644.28796, 1095.0076)(645.298, 1204.515) 19 620.2958 C27 H50 N5 O5 S3 + 5-Oxoavermectin ''''1a'''' aglycone 5.7634177 C11978 5-Oxoavermectin ''''1a'''' aglycone [ C34 H46 O8, mfg=60.29, db=59.75, overall=60.02, CAS ID=, KEGG ID=C11978, METLIN ID=63704 ] (583.3239, 2396.6697)(584.33246, 1037.8507) 18 582.316 5-Oxoavermectin ''''1a'''' aglycone + 663.412@5.761808 5.761808 (664.41943, 2526.247)(665.42194, 1196.1323)(666.43335, 1704.1212)(667.43506, 351.115)(686.40094, 1286.355) 10 663.412 663.412@5.761808 + 422.7695@5.855821 5.855821 (423.77737, 1460.5133) 3 422.7695 422.7695@5.855821 + C21 H39 N O4 5.7622395 [ C21 H39 N O4, mfg=79.84, overall=79.84 ] (370.29477, 57153.836)(371.30038, 13535.006)(392.27957, 3427.7742)(393.2937, 3072.87) 37 369.2876 C21 H39 N O4 + 400.2544@5.7805333 5.7805333 (401.26172, 8399.029)(402.26636, 1402.0645) 10 400.2544 400.2544@5.7805333 + 789.5528@5.725651 5.725651 (790.5586, 38058.082)(791.56085, 18281.342)(792.5679, 7222.58)(793.5695, 5160.51)(812.542, 19444.83)(813.5451, 32115.09) 6 789.5528 789.5528@5.725651 + C21 H41 N O4 + 5.770975 5.770975 [ C21 H41 N O4, mfg=99.25, overall=99.25 ] (372.31052, 79637.35)(373.31372, 17895.47)(374.3169, 2825.0295)(375.3203, 654.79504)(394.2953, 3159.7783)(395.2962, 1114.9912) 37 371.3032 C21 H41 N O4 + 5.770975 + 541.2797@5.7577353 5.7577353 (542.2866, 1805.44)(543.289, 612.96)(524.2767, 2484.52) 2 541.2797 541.2797@5.7577353 + 711.4469@5.780929 5.780929 (712.4567, 2210.838)(713.4614, 1117.5936)(714.4648, 969.47595)(734.4374, 601.66) 14 711.4469 711.4469@5.780929 + 136.0247@5.8195157 5.8195157 (137.0319, 3222.27) 2 136.0247 136.0247@5.8195157 + 455.3242@5.78255 5.78255 (456.33136, 5090.056)(457.3338, 1736.5862)(458.3449, 1765.15) 17 455.3242 455.3242@5.78255 + 533.2744@5.764907 5.764907 (534.2828, 2912.1074)(535.2849, 1327.905)(556.2646, 857.35) 4 533.2744 533.2744@5.764907 + 576.7371@5.791368 5.791368 (577.7449, 2669.7344)(578.74695, 930.6438) 14 576.7371 576.7371@5.791368 + 783.4828@5.784205 5.784205 (784.49054, 3549.826)(785.4934, 1735.4308)(786.4993, 1695.65) 13 783.4828 783.4828@5.784205 + C33 H65 N6 O9 S 5.784656 [ C33 H65 N6 O9 S, mfg=97.86, overall=97.86 ] (722.4605, 17990.283)(723.4637, 7561.818)(724.46515, 2829.947)(725.4708, 881.1467)(744.4433, 7067.2646)(745.44635, 3430.13)(746.45935, 5309.75) 23 721.453 C33 H65 N6 O9 S + C21 H37 N O4 5.7996707 [ C21 H37 N O4, mfg=81.14, overall=81.14 ] (368.27914, 8675.93)(369.28314, 2323.1023) 30 367.2719 C21 H37 N O4 + 131.0944@5.8056297 5.8056297 (132.10158, 28684.746)(133.1046, 2393.7876) 8 131.0944 131.0944@5.8056297 + 137.0476@5.814651 5.814651 (138.05484, 11708.085)(139.05368, 1216.6525) 4 137.0476 137.0476@5.814651 + 557.8497@5.802 5.802 (558.857, 1355.64) 1 557.8497 557.8497@5.802 + 421.8748@5.806 5.806 (422.882, 1867.47) 1 421.8748 421.8748@5.806 + Indoleacrylic acid 5.824093 C00331 Indoleacrylic acid [ C11 H9 N O2, mfg=99.01, db=98.99, overall=99.00, CAS ID=1204-06-4, KEGG ID=C00331, HMP ID=HMDB00734, METLIN ID=5702 ] 1204-06-4 (188.07057, 30399.994)(189.07404, 4550.1426)(190.07635, 1061.26)(205.09735, 68838.66)(206.10062, 8179.236)(207.10432, 1278.2294) 21 187.0634 Indoleacrylic acid HMDB00734 + 623.8395@5.807 5.807 (624.8468, 3179.55) 1 623.8395 623.8395@5.807 + 555.8526@5.807 5.807 (556.8599, 2490.92) 1 555.8526 555.8526@5.807 + 332.2098@5.805378 5.805378 (333.21704, 2750.24)(334.2214, 1137.0316)(335.2198, 705.53) 17 332.2098 332.2098@5.805378 + 215.9154@5.81 5.81 (216.9227, 14439.06) 1 215.9154 215.9154@5.81 + 419.8769@5.811 5.811 (420.8842, 4925.76) 1 419.8769 419.8769@5.811 + 351.89@5.812 5.812 (352.8972, 4708.94) 1 351.89 351.89@5.812 + 217.9131@5.812 5.812 (218.9203, 4752.4) 1 217.9131 217.9131@5.812 + 962.574@5.814 5.814 (963.5813, 1189.31) 1 962.574 962.574@5.814 + 798.8217@5.815 5.815 (799.829, 1215.62)(800.8266, 814.84) 1 798.8217 798.8217@5.815 + 283.9029@5.816 5.816 (284.9102, 2856.57) 1 283.9029 283.9029@5.816 + 975.5878@5.821106 5.821106 (976.5969, 1640.7933)(977.595, 1239.9133) 3 975.5878 975.5878@5.821106 + 921.6126@5.816 5.816 (922.6199, 2280.36)(923.6279, 865.72) 1 921.6126 921.6126@5.816 + C26 H24 N O10 S 5.83438 [ C26 H24 N O10 S, mfg=92.15, overall=92.15 ] (543.11993, 8563.776)(544.123, 2347.3267)(545.12555, 999.3721) 33 542.1127 C26 H24 N O10 S + 908.1042@5.819866 5.819866 (909.11145, 1975.1373)(910.1146, 874.5226) 7 908.1042 908.1042@5.819866 + 628.3451@5.8304048 5.8304048 (629.35406, 1568.77)(630.3719, 757.08) 2 628.3451 628.3451@5.8304048 + 955.1066@5.8285484 5.8285484 (956.1133, 1748.4971)(957.11896, 970.85004) 7 955.1066 955.1066@5.8285484 + 942.0969@5.831553 5.831553 (943.1048, 1577.8485)(944.1058, 829.3233) 6 942.0969 942.0969@5.831553 + 907.5991@5.8302107 5.8302107 (908.6082, 2188.971)(909.6123, 1291.8354) 11 907.5991 907.5991@5.8302107 + C6 H7 O5 5.8263717 [ C6 H7 O5, mfg=47.58, overall=47.58 ] (160.03671, 4564.41) 10 159.0293 C6 H7 O5 + 627.8429@5.828968 5.828968 (628.8493, 2177.0667)(629.8563, 736.565) 3 627.8429 627.8429@5.828968 + C15 N2 O10 S5 5.8350186 [ C15 N2 O10 S5, mfg=52.31, overall=52.31 ] (528.8218, 4968.685)(529.8268, 1692.6111)(530.8041, 1105.89)(550.8013, 814.88) 30 527.8147 C15 N2 O10 S5 + 954.6036@5.8253508 5.8253508 (955.61053, 1725.656)(956.61505, 1657.2161)(957.607, 850.3133)(977.5957, 875.45) 10 954.6036 954.6036@5.8253508 + C10 H10 N3 O9 5.834907 [ C10 H10 N3 O9, mfg=93.38, overall=93.38 ] (317.04807, 13200.501)(318.05133, 2071.5798)(319.05396, 647.125) 37 316.0408 C10 H10 N3 O9 + C10 H8 N4 O4 5.834961 [ C10 H8 N4 O4, mfg=97.87, overall=97.87 ] (249.06113, 70524.91)(250.06424, 9298.974)(251.06773, 1076.9167) 37 248.0538 C10 H8 N4 O4 + 1033.6464@5.834314 5.834314 (1034.6533, 8027.772)(1035.6566, 5106.5767)(1036.6625, 2465.7927)(1037.6681, 947.67303)(1038.6702, 345.63) 37 1033.6464 1033.6464@5.834314 + C23 H8 N2 O13 5.8343725 [ C23 H8 N2 O13, mfg=76.82, overall=76.82 ] (521.0104, 6180.051)(522.01373, 1296.12) 35 520.0034 C23 H8 N2 O13 + C10 H12 N2 O14 5.8348007 [ C10 H12 N2 O14, mfg=96.56, overall=96.56 ] (791.037, 624.26)(385.03546, 36648.04)(386.0387, 5469.286)(387.04044, 1162.805) 37 384.0283 C10 H12 N2 O14 + 920.6101@5.8287635 5.8287635 (921.6175, 1989.6025)(922.6221, 1595.81)(923.6207, 882.056) 12 920.6101 920.6101@5.8287635 + C23 H6 N3 O8 5.834716 [ C23 H6 N3 O8, mfg=73.02, overall=73.02 ] (453.0229, 7606.988)(454.02625, 1325.9768) 36 452.0157 C23 H6 N3 O8 + 663.7897@5.8360615 5.8360615 (664.7972, 1786.4568)(665.80164, 866.00995) 15 663.7897 663.7897@5.8360615 + 1075.6187@5.8302174 5.8302174 (1076.625, 1306.7667)(1077.6278, 979.03876)(1078.602, 539.72) 9 1075.6187 1075.6187@5.8302174 + 1101.6317@5.831313 5.831313 (1102.6404, 2065.8845)(1103.6438, 1406.7217)(1104.6461, 928.61334) 20 1101.6317 1101.6317@5.831313 + 398.0436@5.833098 5.833098 (399.05084, 1798.7917) 5 398.0436 398.0436@5.833098 + 1007.6298@5.8353066 5.8353066 (1008.63745, 4948.341)(1009.64026, 2831.6917)(1010.6429, 1180.2661) 30 1007.6298 1007.6298@5.8353066 + 514.8062@5.831971 5.831971 (515.8138, 2984.333)(516.81665, 961.72003) 17 514.8062 514.8062@5.831971 + 921.1118@5.8219433 5.8219433 (922.12006, 4718.54)(923.1244, 1178.375)(924.1257, 555.35) 2 921.1118 921.1118@5.8219433 + 515.3081@5.8251176 5.8251176 (516.3149, 2403.26) 6 515.3081 515.3081@5.8251176 + C24 H8 N4 O19 5.8325157 [ C24 H8 N4 O19, mfg=71.45, overall=71.45 ] (656.98517, 2771.6006)(657.9885, 911.1287) 19 655.9779 C24 H8 N4 O19 + C23 H10 N O18 5.835022 [ C23 H10 N O18, mfg=75.63, overall=75.63 ] (588.99786, 4805.744)(590.00104, 1082.7892) 34 587.9906 C23 H10 N O18 + 650.7829@5.8270373 5.8270373 (651.7894, 1516.925)(652.7923, 530.98) 2 650.7829 650.7829@5.8270373 + 791.953@5.826739 5.826739 (792.961, 1507.2699)(793.9619, 779.3367) 6 791.953 791.953@5.826739 + 879.5252@5.829118 5.829118 (880.5361, 11155.709)(881.53674, 5707.4624)(882.5286, 2552.77)(883.5345, 1121.2118)(897.557, 3914.235)(898.5564, 2229.3052)(899.5545, 1185.365) 18 879.5252 879.5252@5.829118 + PS(18:0/20:4(8Z,11Z,14Z,17Z)) 5.835391 C02737 PS(18:0/20:4(8Z,11Z,14Z,17Z)) [ C44 H78 N O10 P, db=87.02, overall=87.02, KEGG ID=C02737, HMP ID=HMDB10165, METLIN ID=61542 ] (812.5405, 18163.047)(813.5449, 8680.409)(814.5522, 3148.9556)(815.55804, 1032.46)(829.5657, 5995.3433)(830.5684, 3190.7615)(831.56683, 1024.3944) 34 811.5336 PS(18:0/20:4(8Z,11Z,14Z,17Z)) HMDB10165 + 450.7538@5.8311276 5.8311276 (919.54315, 7190.5654)(920.54456, 3383.202)(921.54315, 1192.302)(451.75946, 5856.661)(452.76154, 1374.7521)(453.75784, 794.55) 14 450.7538 450.7538@5.8311276 + Nap-Ile-OH 5.8366666 Nap-Ile-OH [ C24 H24 N2 O6, db=47.33, overall=47.33, METLIN ID=65257 ] (873.3345, 2083.1072) 14 872.3269 Nap-Ile-OH + C20 H3 N O20 S2 5.834426 [ C20 H3 N O20 S2, mfg=51.50, overall=51.50 ] (641.87946, 3785.802)(642.8699, 1137.2855) 28 640.8765 C20 H3 N O20 S2 + 817.8513@5.8368354 5.8368354 (1636.6997, 684.01)(818.8616, 1338.3649) 6 817.8513 817.8513@5.8368354 + 675.3673@5.8394284 5.8394284 (676.3785, 1523.2689)(677.3693, 763.50165)(698.3605, 1302.34)(699.3623, 797.93) 9 675.3673 675.3673@5.8394284 + C23 H2 N2 O16 S 5.8374586 [ C23 H2 N2 O16 S, mfg=59.12, overall=59.12 ] (594.91974, 2259.081)(595.9204, 816.59) 23 593.9123 C23 H2 N2 O16 S + 865.8623@5.833746 5.833746 (866.86926, 2106.0986)(867.8726, 827.51) 8 865.8623 865.8623@5.833746 + 1051.4933@5.835 5.835 (1052.5006, 989.64) 1 1051.4933 1051.4933@5.835 + 781.5596@5.832357 5.832357 (782.56696, 123360.195)(783.57025, 50981.312)(784.57404, 10040.4795)(785.5775, 2607.676)(804.5526, 1940.81)(805.5539, 1194.96)(806.5672, 1994.15) 15 781.5596 781.5596@5.832357 + D-myo-Inositol-1,2,4,5,6-pentaphosphate 5.8358884 C04563 D-myo-Inositol-1,2,4,5,6-pentaphosphate [ C6 H17 O21 P5, db=88.92, overall=44.46, KEGG ID=C04563, METLIN ID=45123 ] (580.904, 16153.023)(581.9073, 1978.8192)(582.9083, 934.22675) 37 579.8967 D-myo-Inositol-1,2,4,5,6-pentaphosphate + 661.9@5.8357377 5.8357377 (662.9071, 2066.7815) 7 661.9 661.9@5.8357377 + 606.8838@5.833716 5.833716 (607.8904, 2452.1316)(608.89136, 709.005) 18 606.8838 606.8838@5.833716 + 444.0038@5.835 5.835 (445.0111, 1351.69) 1 444.0038 444.0038@5.835 + 103.9848@5.836444 5.836444 (104.99213, 25031.352)(105.99555, 914.5805) 36 103.9848 103.9848@5.836444 + C27 H3 O22 S2 5.8346996 [ C27 H3 O22 S2, mfg=52.19, overall=52.19 ] (743.8647, 3878.8225)(744.85974, 943.05) 29 742.8563 C27 H3 O22 S2 + C8 H4 O11 S 5.8362665 [ C8 H4 O11 S, mfg=91.23, overall=91.23 ] (308.95428, 20521.898)(309.9577, 1374.2937)(310.95865, 683.32) 37 307.947 C8 H4 O11 S + C21 O10 S 5.836051 [ C21 O10 S, mfg=73.59, overall=73.59 ] (444.9289, 29110.143)(445.9326, 2564.0562)(446.9335, 1107.4974) 37 443.9217 C21 O10 S + 946.8208@5.835306 5.835306 (947.82776, 3324.7444)(948.8303, 823.22) 21 946.8208 946.8208@5.835306 + C15 N2 O19 5.8362665 [ C15 N2 O19, mfg=87.40, overall=87.40 ] (512.9163, 19500.531)(513.91974, 1970.5808)(514.92065, 974.34827) 37 511.9092 C15 N2 O19 + 803.838@5.836441 5.836441 (804.8453, 6417.6807)(805.8483, 1041.805)(806.838, 871.26) 34 803.838 803.838@5.836441 + C22 H2 N O21 S 5.8359165 [ C22 H2 N O21 S, mfg=77.36, overall=77.36 ] (648.89154, 12926.678)(649.895, 1596.8173)(650.89624, 811.9544) 37 647.8845 C22 H2 N O21 S + 781.0538@5.8301435 5.8301435 (782.0607, 5306.0347) 7 781.0538 781.0538@5.8301435 + 89.9695@5.836105 5.836105 (90.97675, 601450.56)(91.98007, 6982.4517)(92.98099, 2653.167) 37 89.9695 89.9695@5.836105 + C22 H N2 O24 S 5.8368154 [ C22 H N2 O24 S, mfg=62.85, overall=62.85 ] (709.8717, 4183.84)(710.8722, 920.7955) 23 708.8648 C22 H N2 O24 S + C7 N O6 S 5.8360243 [ C7 N O6 S, mfg=85.78, overall=42.89 ] (226.9517, 1412160.1)(227.95494, 48761.516)(228.95601, 17565.98)(229.95947, 558.5695) 37 225.9444 C7 N O6 S + C8 H2 N O6 S 5.835916 [ C8 H2 N O6 S, mfg=86.36, overall=86.36 ] (240.9673, 88559.68)(241.97073, 4092.537)(242.97176, 1338.6229) 37 239.96 C8 H2 N O6 S + 484.7465@5.833539 5.833539 (970.5067, 841.23)(971.5358, 564.08)(972.5162, 943.57)(987.532, 2536.4788)(988.5274, 1390.975)(989.5208, 849.7329)(485.75415, 4381.5996)(486.75577, 1237.2809)(487.75226, 918.83124) 16 484.7465 484.7465@5.833539 + C39 H44 N10 O 5.837816 [ C39 H44 N10 O, mfg=55.82, overall=55.82 ] (669.3734, 2157.3206)(670.3891, 1189.1967)(686.4008, 1065.7284)(687.4048, 762.265)(688.41406, 1360.965) 19 668.3655 C39 H44 N10 O + C8 N2 O S 5.8361316 [ C8 N2 O S, mfg=81.82, overall=81.82 ] (172.97957, 36662.457)(173.98303, 1311.7456)(174.9843, 739.78) 37 171.9723 C8 N2 O S + C14 H2 O8 S2 5.8360777 [ C14 H2 O8 S2, mfg=74.69, overall=74.69 ] (362.92606, 195617.94)(363.92963, 12097.907)(364.93042, 4284.8047)(365.93384, 327.185) 37 361.9189 C14 H2 O8 S2 + C4 N O4 S 5.8361855 [ C4 N O4 S, mfg=67.27, overall=67.27 ] (158.96431, 434575.88)(159.96758, 10488.384)(160.9682, 3659.7852) 37 157.957 C4 N O4 S + C14 O13 5.835917 [ C14 O13, mfg=85.39, overall=42.69 ] (376.9415, 30787.281)(377.9452, 2335.7463)(378.9459, 979.8783) 37 375.9342 C14 O13 + C7 H2 O11 S 5.836294 [ C7 H2 O11 S, mfg=88.03, overall=88.03 ] (294.9389, 130204.055)(295.94223, 6265.079)(296.9433, 2436.2756) 37 293.9317 C7 H2 O11 S + C18 H41 N7 O4 S2 5.835126 [ C18 H41 N7 O4 S2, mfg=82.36, overall=82.36 ] (967.5354, 941.42)(484.27518, 7386.462)(485.27893, 1554.9203)(486.25912, 1194.5798) 36 483.2678 C18 H41 N7 O4 S2 + C20 N2 O23 S 5.8363476 [ C20 N2 O23 S, mfg=61.13, overall=61.13 ] (668.8699, 7523.793)(669.87244, 1036.71) 37 667.8624 C20 N2 O23 S + 807.5757@5.8332844 5.8332844 (808.58276, 201588.53)(809.58606, 101586.516)(810.5931, 33700.383)(811.5978, 8561.445)(825.6075, 1249.11)(830.5662, 2892.31) 36 807.5757 807.5757@5.8332844 + C15 H2 N2 O14 S2 5.836186 [ C15 H2 N2 O14 S2, mfg=73.67, overall=73.67 ] (498.90097, 104538.23)(499.90436, 8628.284)(500.90518, 3165.0552)(501.9079, 315.83) 37 497.8938 C15 H2 N2 O14 S2 + 769.8438@5.836267 5.836267 (770.8512, 38568.797)(771.8542, 4906.287)(772.8556, 1803.6871)(773.8573, 304.88) 37 769.8438 769.8438@5.836267 + C6 H2 Cl3 N2 O3 S5 5.8359404 [ C6 H2 Cl3 N2 O3 S5, mfg=46.37, overall=46.37 ] (830.5592, 4927.415)(847.5981, 798.41)(415.78583, 8192.843)(416.7904, 1826.1938)(437.7634, 893.7025) 36 414.7785 C6 H2 Cl3 N2 O3 S5 + C12 H2 N2 O12 S2 5.836132 [ C12 H2 N2 O12 S2, mfg=71.01, overall=71.01 ] (430.9135, 178998.3)(431.91693, 12472.586)(432.91782, 4743.405)(433.92007, 338.05002) 37 429.9064 C12 H2 N2 O12 S2 + C22 O19 S 5.8362226 [ C22 O19 S, mfg=64.64, overall=64.64 ] (600.88245, 4917.7354)(601.884, 941.2722) 31 599.8755 C22 O19 S + 849.5468@5.8305397 5.8305397 (850.5543, 68027.69)(851.55786, 29160.29)(852.56445, 11875.899)(853.57166, 3241.2402)(854.5564, 741.6)(872.5406, 951.26)(873.5439, 669.62)(874.5548, 1343.76) 31 849.5468 849.5468@5.8305397 + 850.5503@5.838822 5.838822 (851.558, 30599.8)(852.56055, 11069.888)(853.5626, 2749.277)(854.56256, 398.44287)(873.5481, 996.845) 25 850.5503 850.5503@5.838822 + 875.5626@5.831394 5.831394 (876.5702, 110549.98)(877.5732, 54987.383)(878.57806, 25592.441)(879.58154, 8373.242)(880.5841, 2329.9438)(881.58655, 336.92203)(893.59076, 1014.18005) 32 875.5626 875.5626@5.831394 + C18 N O19 S 5.8362403 [ C18 N O19 S, mfg=65.33, overall=65.33 ] (566.88855, 73813.555)(567.8917, 7024.6733)(568.8928, 2602.8423)(569.8946, 351.58) 37 565.8811 C18 N O19 S + 912.8277@5.835847 5.835847 (913.8341, 3639.3745)(914.8356, 940.1155) 18 912.8277 912.8277@5.835847 + C21 N O21 S 5.836293 [ C21 N O21 S, mfg=76.32, overall=76.32 ] (634.87585, 55759.855)(635.8791, 6110.931)(636.88025, 2288.4478)(637.88275, 300.805) 37 633.8687 C21 N O21 S + 448.7721@5.8371835 5.8371835 (915.5762, 950.21)(449.77887, 2836.438)(450.77698, 1075.4506)(451.75958, 2861.4)(452.7614, 358.2) 21 448.7721 448.7721@5.8371835 + 777.4445@5.8350344 5.8350344 (778.459, 1336.582)(779.4592, 665.15753)(780.4539, 967.2325)(800.4333, 1286.2849)(801.4381, 920.29)(802.4492, 1002.88) 5 777.4445 777.4445@5.8350344 + C21 H2 O26 S 5.8362665 [ C21 H2 O26 S, mfg=76.31, overall=76.31 ] (702.8634, 49314.535)(703.86694, 5799.8394)(704.8681, 2129.8213) 37 701.8561 C21 H2 O26 S + 768.0466@5.837 5.837 (769.0539, 1715.25)(770.06, 1522.07) 1 768.0466 768.0466@5.837 + C22 H2 O10 S 5.8368053 [ C22 H2 O10 S, mfg=69.07, overall=69.07 ] (458.94464, 3272.6804)(459.9477, 897.76) 19 457.9375 C22 H2 O10 S + 943.5493@5.838889 5.838889 (944.5562, 19890.617)(945.55963, 10825.646)(946.5639, 5017.782)(947.56934, 1735.4795)(948.5793, 389.6275)(966.53516, 1172.895)(967.5184, 1000.54)(968.5281, 1386.59) 32 943.5493 943.5493@5.838889 + 847.5316@5.8262196 5.8262196 (848.54, 19512.848)(849.54285, 8971.31)(850.5542, 50307.64)(851.5576, 23331.777)(852.5598, 6905.91)(853.5646, 721.39)(865.5718, 1343.83) 35 847.5316 847.5316@5.8262196 + Tylosin 5.867512 C01457 Tylosin [ C46 H77 N O17, db=67.50, overall=67.50, CAS ID=1401-69-0, Lipid ID=LMPK04000004, KEGG ID=C01457, METLIN ID=40964 ] 1401-69-0 (916.52185, 3748.4792)(917.5258, 2453.1802)(918.5328, 4894.759)(919.53876, 3168.4414)(920.5462, 2634.4631)(921.5508, 461.63333)(922.548, 1095.355)(898.5038, 3084.31)(899.50256, 1486.72)(900.51404, 4393.186)(901.51556, 2257.9534)(902.52985, 4327.23)(933.5577, 915.66)(938.4953, 1844.0333)(939.50104, 1241.6234)(940.50995, 2374.3435) 28 915.5185 Tylosin + LMPK04000004 905.8185@5.8362403 5.8362403 (906.8259, 22031.62)(907.8284, 3352.843)(908.8298, 1284.2524) 37 905.8185 905.8185@5.8362403 + 837.8311@5.8359976 5.8359976 (838.8381, 29712.48)(839.84155, 4303.284)(840.84265, 1652.2854)(841.8365, 326.11) 37 837.8311 837.8311@5.8359976 + 810.8457@5.835415 5.835415 (811.85345, 3934.0095)(812.85175, 929.6975) 24 810.8457 810.8457@5.835415 + 851.8462@5.8362136 5.8362136 (852.8537, 9281.034)(853.8569, 1610.6934)(854.85815, 816.9716) 37 851.8462 851.8462@5.8362136 + 797.8749@5.8360934 5.8360934 (798.8827, 1666.6931)(799.8836, 579.14)(815.9014, 863.37) 13 797.8749 797.8749@5.8360934 + 63.0083@5.8371296 5.8371296 (64.0156, 19676.955)(65.018974, 821.18945) 37 63.0083 63.0083@5.8371296 + 829.0618@5.829703 5.829703 (830.069, 4690.9927)(831.07, 1976.1444)(832.0625, 1101.9279)(852.0583, 651.86) 30 829.0618 829.0618@5.829703 + 1053.5077@5.837768 5.837768 (1054.5154, 2030.1411)(1055.5193, 1073.3325)(1056.5105, 736.695) 17 1053.5077 1053.5077@5.837768 + C22 H4 O26 S 5.8363214 [ C22 H4 O26 S, mfg=80.42, overall=80.42 ] (1432.7352, 795.25)(716.87897, 12154.559)(717.88226, 1700.3148)(718.8833, 893.7469) 37 715.8718 C22 H4 O26 S + 919.8337@5.8361564 5.8361564 (920.84106, 6535.14)(921.84375, 1257.1929)(922.8449, 848.7514) 36 919.8337 919.8337@5.8361564 + 804.3401@5.8343563 5.8343563 (805.34717, 2386.4983)(806.3526, 658.78503) 12 804.3401 804.3401@5.8343563 + 859.5937@5.8170514 5.8170514 (860.60364, 1667.4043)(861.60834, 1029.4844)(862.62415, 539.36005) 9 859.5937 859.5937@5.8170514 + C21 H48 N15 O12 5.8384504 [ C21 H48 N15 O12, mfg=72.00, overall=36.00 ] (703.36743, 2502.9768)(704.3677, 818.57666) 16 702.3592 C21 H48 N15 O12 + 1041.793@5.835891 5.835891 (1042.8, 12684.404)(1043.8032, 2276.5957)(1044.8041, 990.2164) 36 1041.793 1041.793@5.835891 + 1109.7798@5.8345966 5.8345966 (1110.7871, 8915.573)(1111.7903, 1755.4517)(1112.7904, 920.629) 37 1109.7798 1109.7798@5.8345966 + 973.8057@5.83619 5.83619 (974.81274, 16997.242)(975.81616, 2835.8882)(976.81696, 1095.3938) 36 973.8057 973.8057@5.83619 + 770.3469@5.8365192 5.8365192 (771.35345, 2251.923)(772.363, 539.64) 13 770.3469 770.3469@5.8365192 + 939.8123@5.83631 5.83631 (940.8199, 4957.0415)(941.8227, 988.23645) 30 939.8123 939.8123@5.83631 + 983.5121@5.836398 5.836398 (984.5179, 1682.907)(985.5301, 1059.1757)(986.5293, 3482.48)(987.5323, 1874.1074)(988.5213, 821.22003)(1006.5152, 1457.12)(1007.5156, 921.45)(1008.521, 1276.46)(1009.5176, 869.15)(1010.5468, 1913.5) 18 983.5121 983.5121@5.836398 + 783.8587@5.836052 5.836052 (1568.7106, 675.12256)(784.86646, 9288.953)(785.8701, 1531.767)(786.8708, 1205.06) 37 783.8587 783.8587@5.836052 + C23 N2 O25 S 5.83661 [ C23 N2 O25 S, mfg=61.68, overall=61.68 ] (736.8575, 7237.3145)(737.8604, 1131.6376) 36 735.8503 C23 N2 O25 S + 729.8868@5.838878 5.838878 (730.8944, 2196.95)(731.8999, 645.38) 14 729.8868 729.8868@5.838878 + 871.8255@5.8355293 5.8355293 (872.8324, 5670.1934)(873.83496, 998.06134) 36 871.8255 871.8255@5.8355293 + 987.8213@5.83667 5.83667 (988.82837, 5380.8506)(989.8307, 1169.2832)(990.8338, 923.2134) 34 987.8213 987.8213@5.83667 + 1177.7671@5.8352966 5.8352966 (1178.7743, 6739.486)(1179.7777, 1540.7358)(1180.7781, 778.00226) 35 1177.7671 1177.7671@5.8352966 + 901.577@5.832553 5.832553 (902.5804, 4649.0664)(903.583, 2321.6736)(904.59296, 2899.2683)(905.59814, 1710.3467)(924.5646, 849.2) 21 901.577 901.577@5.832553 + 808.0772@5.838235 5.838235 (809.0843, 23810.725)(810.09033, 9345.917)(811.081, 2612.1072)(812.0716, 1163.796)(813.0701, 282.98)(831.0628, 3264.83)(832.0661, 1509.94)(833.066, 1355.24) 34 808.0772 808.0772@5.838235 + 449.2734@5.8380837 5.8380837 (450.28113, 1771.6133) 3 449.2734 449.2734@5.8380837 + 842.0702@5.8305163 5.8305163 (843.0776, 4583.632)(844.0822, 3122.9966)(845.0756, 1233.9128)(846.0628, 417.31)(865.0618, 861.92)(866.0535, 782.58) 24 842.0702 842.0702@5.8305163 + 634.3701@5.835955 5.835955 (635.37775, 2011.459)(636.3875, 771.79004) 9 634.3701 634.3701@5.835955 + C21 H39 N2 O6 5.8356133 [ C21 H39 N2 O6, mfg=79.28, overall=79.28 ] (853.5543, 2317.6)(416.28754, 4683.966)(417.29202, 917.38684) 27 415.2801 C21 H39 N2 O6 + 321.9625@5.8377814 5.8377814 (322.9695, 1965.9467) 3 321.9625 321.9625@5.8377814 + 1011.5367@5.8324213 5.8324213 (1012.544, 6271.8228)(1013.548, 3617.2227)(1014.55237, 1823.0522)(1015.5554, 523.59753)(1029.5698, 551.42)(1030.5875, 639.16) 32 1011.5367 1011.5367@5.8324213 + 963.5412@5.83427 5.83427 (964.54767, 2181.9165)(965.5497, 2778.9272)(966.5554, 85.32)(986.52936, 5295.7466)(987.53265, 2501.3435)(988.5182, 1570.73) 12 963.5412 963.5412@5.83427 + 795.0693@5.8305492 5.8305492 (796.07635, 25673.64)(797.08105, 7078.132)(798.072, 1825.7207)(799.0596, 770.58606) 35 795.0693 795.0693@5.8305492 + 1055.8082@5.836394 5.836394 (1056.8154, 4246.147)(1057.8173, 1062.9757) 32 1055.8082 1055.8082@5.836394 + 1245.7543@5.8367233 5.8367233 (1246.7616, 5322.471)(1247.7648, 1249.8)(1248.7661, 785.075) 22 1245.7543 1245.7543@5.8367233 + 895.5501@5.8658733 5.8658733 (896.55493, 2996.4343)(897.5522, 2198.6965)(898.557, 2436.7349)(899.5728, 182.02)(878.5464, 3320.31)(879.5449, 863.52)(918.53815, 10599.208)(919.54205, 5305.2134)(920.547, 2939.4302)(921.5436, 710.26) 9 895.5501 895.5501@5.8658733 + 1252.7623@5.844826 5.844826 (1253.7699, 1979.8983)(1254.7688, 669.5) 6 1252.7623 1252.7623@5.844826 + 482.7659@5.8355546 5.8355546 (966.5418, 997.32666)(983.5596, 1417.8)(483.77338, 13710.036)(484.77664, 3809.1826)(485.76285, 1877.4531)(486.7543, 472.56)(505.75156, 976.21796)(506.7504, 1126.84)(507.7494, 1069.14) 36 482.7659 482.7659@5.8355546 + 821.0843@5.800278 5.800278 (822.0869, 3176.464)(823.09247, 1970.3934)(824.0883, 1012.50867)(844.0804, 2333.4)(845.0791, 981.15) 28 821.0843 821.0843@5.800278 + 845.3416@5.8388686 5.8388686 (846.34827, 1419.645) 4 845.3416 845.3416@5.8388686 + C20 H3 O25 S 5.836049 [ C20 H3 O25 S, mfg=55.53, overall=55.53 ] (675.87756, 4102.1763)(676.87585, 1182.0486) 22 674.8701 C20 H3 O25 S + 794.5672@5.828769 5.828769 (795.57434, 30833.107)(796.57825, 19616.643)(797.5766, 4965.9873)(798.5712, 829.3529)(812.6034, 8028.17)(817.56396, 1978.78) 36 794.5672 794.5672@5.828769 + 844.8392@5.83787 5.83787 (845.84656, 4012.6116)(846.84564, 933.9455) 21 844.8392 844.8392@5.83787 + 401.7705@5.8361135 5.8361135 (804.55286, 1578.148)(805.55554, 908.45)(806.5665, 1878.7)(821.5798, 1541.01)(402.77774, 3965.346)(403.78082, 792.00995) 22 401.7705 401.7705@5.8361135 + 571.7389@5.8378696 5.8378696 (572.7461, 2165.4136)(573.74567, 912.08563) 16 571.7389 571.7389@5.8378696 + 1116.7875@5.8262863 5.8262863 (1117.7954, 2411.319)(1118.7991, 672.07) 11 1116.7875 1116.7875@5.8262863 + 469.758@5.835164 5.835164 (940.523, 2079.6074)(941.5262, 1846.5186)(942.53406, 2403.526)(943.5321, 1784.96)(470.7651, 8387.863)(471.7669, 1683.2366)(472.76065, 925.33453) 37 469.758 469.758@5.835164 + 863.5601@5.8353024 5.8353024 (864.5651, 3839.929)(865.5703, 1697.719)(866.5616, 1234.5583)(886.5421, 2629.855)(887.5412, 2425.53)(888.5529, 3490.32)(889.5555, 1433.38) 10 863.5601 863.5601@5.8353024 + 1143.7733@5.837648 5.837648 (1144.7812, 2925.0679)(1145.7843, 862.6492) 15 1143.7733 1143.7733@5.837648 + 899.5612@5.8384953 5.8384953 (900.56604, 1864.9954)(901.5707, 1116.447)(902.58417, 5633.8037)(903.58746, 2941.6602)(904.59656, 3742.8586)(905.6004, 376.1)(882.5518, 775.63)(922.5379, 1563.8)(923.5571, 1183.1)(924.5234, 2061.63)(925.5481, 974.95)(926.5376, 1858.28) 13 899.5612 899.5612@5.8384953 + PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z)) 5.8326197 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z)) [ C50 H84 N O10 P, db=47.38, overall=47.38, Lipid ID=LMGP03010843, METLIN ID=78507 ] (890.5838, 5338.674)(891.58685, 2621.7932)(892.5886, 1505.6836)(893.59204, 662.70496)(907.604, 637.96)(912.5546, 1577.91)(913.5608, 644.26)(914.5738, 460.35) 18 889.578 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z)) + LMGP03010843 1007.7995@5.835873 5.835873 (1008.80676, 4060.905)(1009.8097, 974.24713) 31 1007.7995 1007.7995@5.835873 + 1076.29@5.845338 5.845338 (1077.296, 1510.7255) 9 1076.29 1076.29@5.845338 + 1079.5236@5.8340235 5.8340235 (1080.5314, 2691.669)(1081.5343, 1564.8993)(1082.5376, 984.33453) 27 1079.5236 1079.5236@5.8340235 + 776.8517@5.8353357 5.8353357 (777.8592, 4194.4897)(778.8588, 928.3064) 25 776.8517 776.8517@5.8353357 + 878.8325@5.836661 5.836661 (879.8404, 3700.8127)(880.84204, 919.98505) 24 878.8325 878.8325@5.836661 + C17 H40 N7 O4 S2 5.835713 [ C17 H40 N7 O4 S2, mfg=79.64, overall=79.64 ] (941.52527, 862.37744)(471.26688, 4345.546)(472.26633, 788.29083)(473.25464, 408.46) 30 470.2599 C17 H40 N7 O4 S2 + 897.0496@5.836219 5.836219 (898.05695, 2314.0808)(899.059, 1004.91943)(900.0464, 854.27747)(920.0376, 701.175)(921.041, 611.08) 21 897.0496 897.0496@5.836219 + 828.56@5.8726873 5.8726873 (829.5659, 4834.6953)(830.567, 2592.9126)(831.5711, 1028.105) 10 828.56 828.56@5.8726873 + 788.0716@5.836024 5.836024 (1594.1783, 2311.73)(1595.1765, 1688.9)(1596.1827, 1469.85)(789.0759, 1475.34)(790.0733, 1406.945)(791.0646, 1244.38) 3 788.0716 788.0716@5.836024 + Macrocin 5.8461366 C00744 Macrocin [ C45 H75 N O17, db=53.70, overall=53.70, CAS ID=11049-15-3, KEGG ID=C00744, METLIN ID=63711 ] 11049-15-3 (919.5433, 5667.026)(920.549, 2061.4485)(921.5519, 915.0)(901.515, 2833.84) 17 918.5374 Macrocin + 957.5625@5.8360057 5.8360057 (958.56775, 2089.7798)(959.5682, 1030.9822)(960.57855, 1258.4126)(940.5481, 3920.5)(941.5515, 2274.59)(942.564, 10018.17)(943.567, 5374.02)(944.5575, 14992.74)(975.5886, 611.24)(980.5459, 1708.97)(981.5502, 992.17)(982.5443, 1184.4349) 14 957.5625 957.5625@5.8360057 + 1123.7957@5.837211 5.837211 (1124.8029, 3352.7346)(1125.8048, 885.67413) 31 1123.7957 1123.7957@5.837211 + 1191.7828@5.8374486 5.8374486 (1192.7898, 2852.6895)(1193.7915, 881.2219) 14 1191.7828 1191.7828@5.8374486 + 402.272@5.845971 5.845971 (403.2796, 2444.938) 5 402.272 402.272@5.845971 + 1075.787@5.835121 5.835121 (1076.7941, 3362.9053)(1077.796, 824.2006) 24 1075.787 1075.787@5.835121 + 584.7472@5.835981 5.835981 (585.7545, 3031.8635)(586.75885, 1212.5021)(587.7355, 1574.4628)(588.7354, 765.78) 26 584.7472 584.7472@5.835981 + 965.0367@5.832467 5.832467 (966.04517, 1328.3401)(967.0485, 736.73) 2 965.0367 965.0367@5.832467 + C26 H41 N6 O5 5.8384504 [ C26 H41 N6 O5, mfg=88.73, overall=88.73 ] (518.3212, 7747.4)(519.3247, 2276.6929)(520.3288, 931.5378)(540.3024, 873.3221) 28 517.314 C26 H41 N6 O5 + beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol 5.8359656 C04830 beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol [ C69 H115 N O17 P2, db=58.13, overall=58.13, KEGG ID=C04830, METLIN ID=66264 ] (1314.7488, 4258.644)(1315.7518, 1092.5062)(1316.7513, 673.63) 21 1313.742 beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol + 1014.8065@5.8368793 5.8368793 (1015.8147, 2844.0364)(1016.8165, 810.974) 17 1014.8065 1014.8065@5.8368793 + 1381.7288@5.8379145 5.8379145 (1382.736, 3440.0906)(1383.7394, 973.0435) 17 1381.7288 1381.7288@5.8379145 + 725.4607@5.8712296 5.8712296 (726.46716, 2182.4856)(727.46875, 1352.1432)(728.47784, 3387.715)(729.4883, 4433.79)(730.4964, 4661.42)(731.4998, 1784.72)(748.4514, 1266.71)(749.4653, 978.08)(750.468, 3472.07)(751.4717, 1162.96)(752.4677, 1800.19) 18 725.4607 725.4607@5.8712296 + 837.0475@5.843 5.843 (838.0548, 1140.86)(839.0544, 854.04)(840.0663, 632.0) 1 837.0475 837.0475@5.843 + 1048.8005@5.8326983 5.8326983 (1049.8086, 2738.5806)(1050.806, 823.526) 15 1048.8005 1048.8005@5.8326983 + 980.8144@5.8369884 5.8369884 (981.8211, 3037.0234)(982.8184, 909.6517) 17 980.8144 980.8144@5.8369884 + 959.5251@5.8870316 5.8870316 (960.52606, 1591.9575)(961.5283, 931.9419)(962.5408, 1594.7688)(963.5506, 620.51)(964.54553, 3881.525)(942.5191, 979.32)(943.5203, 816.06)(982.5124, 1140.9)(983.5093, 1013.35)(984.5266, 1356.87) 12 959.5251 959.5251@5.8870316 + 585.2493@5.8437433 5.8437433 (586.25586, 2204.3716)(587.25977, 977.5267)(588.2395, 930.9) 7 585.2493 585.2493@5.8437433 + 896.5483@5.8350983 5.8350983 (897.55707, 3331.2134)(898.56, 2125.0183)(899.55646, 972.2619)(914.5825, 833.67)(915.5766, 674.01)(919.54395, 6480.85)(920.5469, 1908.9268)(921.5506, 1274.83) 16 896.5483 896.5483@5.8350983 + 545.3452@5.8411083 5.8411083 (546.3528, 4520.7217)(547.35596, 1470.6904)(548.3556, 671.44) 18 545.3452 545.3452@5.8411083 + 910.0584@5.83152 5.83152 (911.0654, 2163.4426)(912.0692, 1110.0016)(913.0519, 1022.155) 18 910.0584 910.0584@5.83152 + 931.5413@5.838464 5.838464 (932.5519, 2524.379)(933.5512, 1067.9244)(934.52783, 1061.75)(954.5377, 1311.8201)(955.5346, 1247.28)(956.5146, 2164.28)(957.5231, 1180.15)(958.5231, 1135.35) 9 931.5413 931.5413@5.838464 + 978.0434@5.845 5.845 (979.0507, 1005.71)(980.0578, 905.48) 1 978.0434 978.0434@5.845 + 1585.6903@5.8315787 5.8315787 (1586.6989, 1693.9851) 4 1585.6903 1585.6903@5.8315787 + 1082.7947@5.8367896 5.8367896 (1083.8018, 2603.1821)(1084.8024, 830.68005) 14 1082.7947 1082.7947@5.8367896 + 1517.7032@5.835363 5.835363 (1518.7107, 2264.55)(1519.7134, 936.1966) 7 1517.7032 1517.7032@5.835363 + 793.4418@5.8989205 5.8989205 (794.4445, 1442.2429)(795.4442, 799.79)(796.4484, 1166.98) 7 793.4418 793.4418@5.8989205 + 816.0658@5.8572316 5.8572316 (817.06616, 2217.4548)(818.0667, 1104.0715)(819.0626, 1041.0461) 22 816.0658 816.0658@5.8572316 + 944.052@5.837675 5.837675 (945.0582, 1801.343)(946.06335, 1031.7488)(947.0579, 669.3) 10 944.052 944.052@5.837675 + 951.5211@5.8620505 5.8620505 (952.5298, 1823.5872)(953.5321, 1127.1111)(954.53503, 1897.1699)(955.5372, 1128.6466)(956.5121, 2756.3098)(934.5225, 1240.92)(935.5294, 560.98)(936.5281, 2508.0)(937.5321, 1380.23)(938.5304, 1501.75)(974.5154, 1602.53)(975.5171, 1034.4551)(976.5177, 989.04504) 10 951.5211 951.5211@5.8620505 + 802.0754@5.8414383 5.8414383 (803.08105, 2339.9268)(804.0719, 1469.55)(805.0679, 1041.3866)(825.0629, 836.48) 12 802.0754 802.0754@5.8414383 + 845.0528@5.836854 5.836854 (846.0612, 1170.208)(847.05786, 921.08)(848.0635, 835.45996)(828.0591, 733.7) 5 845.0528 845.0528@5.836854 + 161.0012@5.8517942 5.8517942 (162.00871, 1822.7743)(179.03511, 3967.4185) 7 161.0012 161.0012@5.8517942 + Indoleacrylic acid + 5.8675737 5.8675737 C00331 Indoleacrylic acid [ C11 H9 N O2, mfg=99.18, db=99.18, overall=99.18, CAS ID=1204-06-4, KEGG ID=C00331, HMP ID=HMDB00734, METLIN ID=5702 ] 1204-06-4 (188.07028, 16130.761)(189.07358, 2496.0928)(190.0766, 762.525)(205.09727, 39537.74)(206.10056, 4929.2607)(207.10483, 806.9115) 20 187.0634 Indoleacrylic acid + 5.8675737 HMDB00734 + C4 H2 O8 S2 5.881941 [ C4 H2 O8 S2, mfg=92.34, overall=92.34 ] (242.92526, 20222.902)(243.92885, 1092.9253)(244.92465, 2453.4585) 32 241.9179 C4 H2 O8 S2 + C3 H4 Cl2 O2 S 5.8844905 [ C3 H4 Cl2 O2 S, mfg=47.42, overall=47.42 ] (174.93799, 4800.413) 29 173.9307 C3 H4 Cl2 O2 S + 173.1415@5.891843 5.891843 (174.1488, 8018.285)(175.14966, 1099.005) 2 173.1415 173.1415@5.891843 + 773.5223@5.8986897 5.8986897 (774.5296, 1589.0566)(775.5348, 1122.66) 3 773.5223 773.5223@5.8986897 + 341.8533@5.920484 5.920484 (342.86057, 4198.2197) 7 341.8533 341.8533@5.920484 + 135.9328@5.908012 5.908012 (136.93993, 1571.15) 3 135.9328 135.9328@5.908012 + C5 H2 S4 5.908176 [ C5 H2 S4, mfg=60.52, overall=60.52 ] (190.91203, 9777.65)(191.9155, 642.13)(192.91045, 3241.975) 33 189.9048 C5 H2 S4 + 191.9028@5.903702 5.903702 (192.9101, 1711.28) 4 191.9028 191.9028@5.903702 + C8 H11 O4 5.911164 [ C8 H11 O4, mfg=57.46, overall=57.46 ] (172.07341, 7238.22)(173.0801, 1355.74)(174.072, 855.46) 30 171.0661 C8 H11 O4 + 123.9151@5.9123125 5.9123125 (124.92247, 10696.2) 36 123.9151 123.9151@5.9123125 + 527.7499@5.9161034 5.9161034 (528.7566, 1477.9663) 8 527.7499 527.7499@5.9161034 + 121.9172@5.9112673 5.9112673 (122.92442, 68702.21)(123.92789, 1089.652) 37 121.9172 121.9172@5.9112673 + C5 H3 Cl O3 S4 5.9126997 [ C5 H3 Cl O3 S4, mfg=77.98, overall=77.98 ] (274.87323, 13202.318)(275.87717, 932.73785)(276.8717, 4937.5825) 34 273.866 C5 H3 Cl O3 S4 + 425.8138@5.9179 5.9179 (426.8213, 3873.6545) 11 425.8138 425.8138@5.9179 + 207.8768@5.9150524 5.9150524 (208.88425, 3600.902) 19 207.8768 207.8768@5.9150524 + C18 Cl2 O4 S5 5.914272 [ C18 Cl2 O4 S5, mfg=70.37, overall=70.37 ] (510.7832, 3011.0486)(511.7844, 762.26)(512.7824, 2050.38) 24 509.7758 C18 Cl2 O4 S5 + 364.1495@5.9124393 5.9124393 (365.15695, 1888.045) 2 364.1495 364.1495@5.9124393 + 205.8786@5.9137387 5.9137387 (206.88593, 12100.59)(207.8893, 730.93335)(208.8842, 4167.73) 36 205.8786 205.8786@5.9137387 + C5 H3 Cl O2 S5 5.915414 [ C5 H3 Cl O2 S5, mfg=76.85, overall=76.85 ] (290.8472, 10519.711)(291.85095, 870.424)(292.84525, 6031.4517) 33 289.8398 C5 H3 Cl O2 S5 + 357.8269@5.9160357 5.9160357 (358.8342, 3911.6165)(359.8375, 954.02)(360.8334, 2238.83) 22 357.8269 357.8269@5.9160357 + 861.6005@5.92 5.92 (862.6078, 1435.5)(863.6075, 704.29)(864.5979, 957.47)(865.6039, 340.35) 1 861.6005 861.6005@5.92 + 359.8256@5.92 5.92 (360.8329, 2182.98) 1 359.8256 359.8256@5.92 + 693.6733@5.9165325 5.9165325 (694.6802, 1556.8401) 4 693.6733 693.6733@5.9165325 + C46 H93 S 5.9145384 [ C46 H93 S, mfg=47.15, overall=47.15 ] (678.7065, 1931.1677) 17 677.6998 C46 H93 S + C12 H3 Cl3 N O S5 5.918231 [ C12 H3 Cl3 N O S5, mfg=47.58, overall=47.58 ] (884.5849, 794.32)(906.5664, 691.71)(442.79553, 2933.0637) 17 441.7887 C12 H3 Cl3 N O S5 + 965.4551@5.922 5.922 (966.4624, 1174.51) 1 965.4551 965.4551@5.922 + 593.7372@5.9140344 5.9140344 (594.7447, 2055.1057) 14 593.7372 593.7372@5.9140344 + 414.9328@5.923833 5.923833 (415.93988, 4326.885) 2 414.9328 414.9328@5.923833 + 907.5109@5.931003 5.931003 (908.51776, 10350.956)(909.52124, 5593.4297)(910.5266, 5347.4785)(911.5296, 2383.6077)(912.53815, 3014.3525)(930.5086, 1339.5) 29 907.5109 907.5109@5.931003 + PG(18:1(11Z)/20:3(5Z,8Z,11Z)) 5.9455495 PG(18:1(11Z)/20:3(5Z,8Z,11Z)) [ C44 H79 O10 P, db=65.95, overall=65.95, HMP ID=HMDB10623, METLIN ID=61894 ] (799.54407, 21964.201)(800.5451, 9353.091)(801.5469, 3044.199)(802.54724, 1110.3009)(816.57, 1440.3384)(817.574, 1048.595)(821.52734, 1021.3175) 28 798.5368 PG(18:1(11Z)/20:3(5Z,8Z,11Z)) HMDB10623 + C11 H2 Cl N4 O 5.9437795 [ C11 H2 Cl N4 O, mfg=83.64, overall=83.64 ] (241.99805, 14060.746)(243.0012, 2150.3496)(243.99672, 3392.5723) 36 240.9908 C11 H2 Cl N4 O + 797.5333@5.9138603 5.9138603 (798.5407, 35391.125)(799.54407, 12815.125)(800.5454, 6393.9683)(801.5469, 2085.531)(802.5473, 144.08)(820.521, 1258.062)(821.521, 1046.14) 35 797.5333 797.5333@5.9138603 + 882.4975@5.9283195 5.9283195 (883.50604, 4452.2397)(884.5076, 4406.26)(885.5127, 2550.96) 3 882.4975 882.4975@5.9283195 + C6 H6 Cl N5 O4 5.9437346 [ C6 H6 Cl N5 O4, mfg=91.61, overall=91.61 ] (248.01804, 25740.69)(249.0215, 1782.0829)(250.01646, 6898.6616) 36 247.0107 C6 H6 Cl N5 O4 + 795.5181@5.9407687 5.9407687 (796.5253, 14543.115)(797.5289, 6790.136)(798.5398, 45938.74)(799.5436, 20663.25)(800.5449, 8548.54)(801.5472, 2690.38)(802.5504, 765.97)(818.5006, 641.15) 35 795.5181 795.5181@5.9407687 + 314.9979@5.938632 5.938632 (316.00534, 4696.1396)(317.01, 518.83997)(318.00507, 993.985) 11 314.9979 314.9979@5.938632 + 837.5647@5.951487 5.951487 (838.5715, 3836.834)(839.57385, 1965.4839)(840.5693, 1552.02)(841.57007, 474.5)(860.5477, 595.3) 19 837.5647 837.5647@5.951487 + 879.4795@5.9355116 5.9355116 (880.48724, 2945.7905)(881.49097, 1556.7693)(882.50195, 7391.9263)(883.5057, 3479.1829)(884.51, 4776.2886)(885.5135, 1705.1117)(886.53314, 1628.0099) 14 879.4795 879.4795@5.9355116 + 823.5493@5.9155207 5.9155207 (824.55817, 70200.71)(825.56146, 32908.406)(826.56683, 21941.217)(827.5705, 9187.039)(828.5682, 4077.47)(846.5467, 6682.03)(847.5506, 3491.79)(848.5602, 2979.95)(849.5635, 1012.63) 34 823.5493 823.5493@5.9155207 + 398.9591@5.93759 5.93759 (399.96664, 6710.8545)(400.9714, 1136.51)(401.9645, 1744.39) 7 398.9591 398.9591@5.93759 + 392.9388@5.937971 5.937971 (393.94617, 4136.6226)(394.9512, 1242.76)(395.9451, 1025.54) 4 392.9388 392.9388@5.937971 + C35 H59 O5 S2 5.931835 [ C35 H59 O5 S2, mfg=86.85, overall=43.43 ] (624.38684, 4253.7627)(625.39026, 1639.4072)(626.39606, 804.0221)(646.3677, 772.27) 19 623.3794 C35 H59 O5 S2 + 661.3358@5.9364486 5.9364486 (662.3439, 2804.8735)(663.3477, 1139.9467)(664.3491, 913.45) 9 661.3358 661.3358@5.9364486 + 771.5189@5.9460444 5.9460444 (772.5257, 6118.4033)(773.529, 2927.5156)(774.5317, 2061.231)(775.53357, 799.29004) 33 771.5189 771.5189@5.9460444 + 910.5242@5.9389477 5.9389477 (911.53265, 2530.3923)(912.5428, 1982.5059)(913.54315, 985.98254) 9 910.5242 910.5242@5.9389477 + C4 H7 N6 O2 S 5.9504557 [ C4 H7 N6 O2 S, mfg=73.19, overall=73.19 ] (429.05862, 2103.5588)(430.0611, 1671.14)(204.04219, 3352.413)(205.04596, 973.3344)(206.0398, 793.01)(226.02393, 12120.72)(227.02763, 1493.7727)(228.02336, 1574.305) 34 203.0348 C4 H7 N6 O2 S + 119.0732@5.9559875 5.9559875 (120.080475, 64596.766)(121.08275, 16928.5) 18 119.0732 119.0732@5.9559875 + 432.7322@5.9115353 5.9115353 (433.73984, 2726.35)(434.74255, 1026.235) 15 432.7322 432.7322@5.9115353 + 209.0548@5.948905 5.948905 (419.1048, 4190.29)(420.1076, 724.46)(441.09863, 2920.9766)(210.05898, 10099.648)(211.05482, 983.51)(212.06087, 826.16)(232.04431, 25665.725)(233.048, 1101.35)(234.043, 1905.98) 8 209.0548 209.0548@5.948905 + D-Phenylalanine 5.955865 C02265 D-Phenylalanine [ C9 H11 N O2, mfg=99.74, db=99.74, overall=99.74, CAS ID=673-06-3, KEGG ID=C02265, METLIN ID=63528 ] 673-06-3 (166.08644, 385273.0)(167.0897, 39989.914)(168.09262, 3660.941)(169.09799, 599.586)(188.06851, 7684.197)(189.0708, 1278.4625) 37 165.0792 D-Phenylalanine + C5 H11 N6 O 5.956081 [ C5 H11 N6 O, mfg=92.56, overall=92.56 ] (343.20593, 1057.255)(172.1065, 763642.5)(173.10957, 26025.701)(174.11092, 4028.1401)(175.1097, 261.75)(194.08838, 11896.344)(195.09166, 929.155) 37 171.0993 C5 H11 N6 O + C12 H12 N 5.9537573 [ C12 H12 N, mfg=45.69, overall=45.69 ] (171.10365, 10668.095)(188.1289, 1708.16) 25 170.0965 C12 H12 N + 108.067@5.9536533 5.9536533 (109.07431, 10536.671)(110.0742, 972.04004)(126.1009, 146439.66)(127.103, 3655.43) 16 108.067 108.067@5.9536533 + C13 H18 N2 O3 S2 5.938301 [ C13 H18 N2 O3 S2, mfg=81.86, overall=81.86 ] (315.08368, 4979.218)(316.08762, 919.27765)(317.08475, 811.02637) 26 314.0765 C13 H18 N2 O3 S2 + 382.9855@5.941736 5.941736 (383.99258, 4465.1597) 16 382.9855 382.9855@5.941736 + 821.5405@5.94856 5.94856 (822.5459, 2454.274)(823.5492, 1272.8492)(824.5579, 85907.43)(804.53766, 1184.085)(839.573, 2199.535)(840.5726, 640.32)(841.5719, 1061.66)(844.52313, 2070.416)(845.52673, 1136.498)(846.548, 3075.09)(847.5515, 1058.66) 15 821.5405 821.5405@5.94856 + C8 H6 5.9553103 [ C8 H6, mfg=75.57, overall=75.57 ] (205.09734, 2293.6267)(227.0826, 622.9)(103.05412, 5492.1616)(104.059975, 954.40607)(120.08053, 101097.57)(121.08276, 20527.742)(122.0813, 1384.4) 31 102.0467 C8 H6 + 847.55@5.9389186 5.9389186 (848.55176, 5616.7373)(849.5526, 2860.7957)(850.5619, 5288.4644)(851.56494, 2723.2668)(852.57635, 6818.5376)(870.5341, 939.92) 10 847.55 847.55@5.9389186 + AP 23573 5.949091 C15183 AP 23573 [ C53 H84 N O14 P, db=69.87, overall=69.87, CAS ID=572924-54-0, KEGG ID=C15183, METLIN ID=70672 ] 572924-54-0 (1007.59546, 2524.5098)(1008.59814, 1343.5712)(1009.59973, 1064.318) 18 1006.5873 AP 23573 + 409.8403@5.92334 5.92334 (410.84756, 2167.952) 5 409.8403 409.8403@5.92334 + Azaconazole 5.9486256 C18701 Azaconazole [ C12 H11 Cl2 N3 O2, mfg=42.10, db=42.08, overall=42.09, CAS ID=60207-31-0, KEGG ID=C18701, METLIN ID=72479 ] 60207-31-0 (300.0314, 3217.0303) 18 299.0241 Azaconazole + 1000.565@5.9466386 5.9466386 (1001.5712, 2037.6392)(1002.57025, 1337.1981)(1003.575, 949.6325) 11 1000.565 1000.565@5.9466386 + 849.5659@5.960564 5.960564 (850.568, 7166.7695)(851.5719, 2874.8438)(852.58563, 6980.135)(853.58936, 3277.6602)(854.58124, 1451.0934)(832.5661, 3643.38)(833.5701, 1697.2)(872.54956, 3511.1501)(873.5519, 1755.8201) 8 849.5659 849.5659@5.960564 + 1026.5842@5.949913 5.949913 (1027.5914, 2627.699)(1028.5924, 1672.7162)(1029.5988, 1647.8809)(1030.6019, 826.55255)(1031.625, 670.48)(1049.58, 650.02) 18 1026.5842 1026.5842@5.949913 + 1032.603@5.9503527 5.9503527 (1033.6107, 3175.5652)(1034.6147, 1977.3975)(1035.6194, 1860.9135)(1036.62, 986.7956)(1037.6157, 825.41394)(1055.5974, 976.6988)(1056.605, 1035.5)(1057.5908, 648.24) 32 1032.603 1032.603@5.9503527 + 693.4213@5.94974 5.94974 (694.426, 6555.6357)(695.4308, 2610.4023)(696.4416, 3974.5918)(697.4447, 2900.875)(698.4376, 4108.28) 13 693.4213 693.4213@5.94974 + 418.0974@5.958195 5.958195 (419.1045, 3170.69)(420.10815, 1112.86) 10 418.0974 418.0974@5.958195 + 897.4915@5.957176 5.957176 (898.49866, 2345.6187)(899.4998, 1196.3313)(900.515, 4078.8083)(901.5195, 2913.715)(902.53406, 5038.9604) 8 897.4915 897.4915@5.957176 + 424.1178@5.951567 5.951567 (425.12524, 2620.8953) 6 424.1178 424.1178@5.951567 + 723.3879@5.951626 5.951626 (724.39624, 1587.3309)(725.3981, 820.6172)(726.4127, 1899.755)(741.4301, 1139.7) 12 723.3879 723.3879@5.951626 + 865.5128@5.9459577 5.9459577 (866.51917, 6340.712)(867.5204, 3364.8914)(868.52893, 4500.371)(869.5295, 2518.8896)(870.54236, 2807.806)(871.5409, 1177.02) 21 865.5128 865.5128@5.9459577 + 973.4955@5.9582157 5.9582157 (974.50635, 1788.8899)(975.50824, 1045.9651)(976.51776, 1321.11)(977.5157, 856.07)(956.4932, 1469.62)(957.5051, 883.81)(958.5146, 930.56) 4 973.4955 973.4955@5.9582157 + 905.4872@5.956216 5.956216 (906.4964, 3202.4473)(907.4994, 1979.9222)(908.5178, 7898.6196)(909.5217, 5029.165)(910.52716, 5510.835) 20 905.4872 905.4872@5.956216 + 743.4708@5.9563046 5.9563046 (744.4789, 2913.565)(745.4769, 1296.965)(746.4899, 963.76) 2 743.4708 743.4708@5.9563046 + 685.43@5.9629498 5.9629498 (686.4383, 2438.1753)(687.4415, 1332.46)(688.44904, 2409.443)(689.4579, 2801.775)(690.4659, 4358.71)(703.4649, 1311.1)(708.42163, 875.2675)(709.42456, 765.68005)(710.4342, 1148.685)(711.4346, 210.74)(712.4563, 623.29) 11 685.43 685.43@5.9629498 + 325.138@5.949 5.949 (326.1452, 983.95) 1 325.138 325.138@5.949 + 602.9168@5.949 5.949 (603.9241, 1299.25) 1 602.9168 602.9168@5.949 + PI(22:1(11Z)/22:4(7Z,10Z,13Z,16Z)) 5.9566607 PI(22:1(11Z)/22:4(7Z,10Z,13Z,16Z)) [ C53 H93 O13 P, db=63.98, overall=63.98, Lipid ID=LMGP06010723, METLIN ID=80745 ] (991.62067, 3299.6606)(992.62335, 1629.0956)(993.62506, 1030.4916)(973.6123, 800.75) 27 990.6134 PI(22:1(11Z)/22:4(7Z,10Z,13Z,16Z)) + LMGP06010723 988.6@5.927032 5.927032 (989.6057, 1552.5027)(990.6069, 1055.4677)(991.62024, 3243.12)(992.62335, 1846.418)(993.624, 860.8333)(1006.6209, 1651.03)(1007.6215, 1047.91) 18 988.6 988.6@5.927032 + 801.5448@5.9597397 5.9597397 (802.5508, 1429.38)(803.56104, 1138.065)(804.55896, 1172.56)(805.5523, 718.75)(806.5559, 6406.82) 2 801.5448 801.5448@5.9597397 + 1016.63@5.956869 5.956869 (1017.6367, 5252.146)(1018.6403, 3011.8738)(1019.6467, 2610.508)(1020.6513, 1212.9833)(1021.6465, 699.19)(1039.6243, 659.74)(1040.6298, 582.88) 18 1016.63 1016.63@5.956869 + 193.0811@5.9493895 5.9493895 (409.15128, 2421.5999)(194.08824, 8011.432)(195.0909, 980.5)(216.07034, 13756.9)(217.07379, 912.485) 5 193.0811 193.0811@5.9493895 + 843.646@5.961125 5.961125 (844.653, 5657.917)(845.6564, 3153.9592)(846.66455, 2433.3274)(847.669, 1060.9691)(848.6695, 474.565) 35 843.646 843.646@5.961125 + 1010.6091@5.9572334 5.9572334 (1011.6164, 3209.5571)(1012.61884, 2004.8446)(1013.62665, 1674.3086)(1014.6294, 862.80865)(1033.6091, 2625.87)(1034.6154, 1722.14)(1035.6204, 1559.52) 31 1010.6091 1010.6091@5.9572334 + 991.616@5.9595737 5.9595737 (992.624, 2486.842)(993.624, 1317.0978)(994.62573, 817.03)(1009.6499, 825.85) 9 991.616 991.616@5.9595737 + Dolastatin 11 5.957612 C16905 Dolastatin 11 [ C50 H80 N8 O12, db=66.75, overall=66.75, CAS ID=111517-68-1, KEGG ID=C16905, METLIN ID=71420 ] 111517-68-1 (985.60016, 2080.6685)(986.60297, 1369.3783)(987.60284, 1010.7778)(1007.59296, 1766.0499)(1008.59735, 1434.235)(1009.5954, 1185.95) 26 984.5933 Dolastatin 11 + Ivermectin B1a 5.9519877 C07970 Ivermectin B1a [ C48 H74 O14, db=71.49, overall=71.49, CAS ID=71827-03-7, KEGG ID=C07970, METLIN ID=879 ] 71827-03-7 (892.54266, 9177.45)(893.54504, 5267.5044)(894.5498, 4118.43)(895.5538, 1448.9274) 19 891.5356 Ivermectin B1a + 781.4305@5.9567456 5.9567456 (782.4368, 1977.9427)(783.44025, 1062.2909)(784.4294, 1320.5209)(785.4324, 768.82996)(786.437, 945.35004)(764.4244, 1002.14) 12 781.4305 781.4305@5.9567456 + PS(21:0/20:4(5Z,8Z,11Z,14Z)) 5.963296 PS(21:0/20:4(5Z,8Z,11Z,14Z)) [ C47 H84 N O10 P, db=52.12, overall=52.12, Lipid ID=LMGP03010696, METLIN ID=78360 ] (876.5692, 15301.72)(877.5724, 7711.2407)(878.573, 5135.822)(879.56885, 2625.8875)(880.56915, 1634.75)(881.5892, 799.96) 17 875.5629 PS(21:0/20:4(5Z,8Z,11Z,14Z)) + LMGP03010696 325.8793@5.917399 5.917399 (326.88638, 3211.4001) 3 325.8793 325.8793@5.917399 + 283.0502@5.968312 5.968312 (284.05765, 2410.5916) 14 283.0502 283.0502@5.968312 + 508.3148@5.95998 5.95998 (1017.6358, 4426.743)(1018.6396, 2525.1992)(1019.64514, 1999.4132)(1020.6499, 1107.3259)(1021.6399, 1171.58)(1039.6243, 946.56494)(1040.6249, 1206.43)(1041.6233, 536.12)(509.3233, 1661.229)(510.3261, 753.4914) 27 508.3148 508.3148@5.95998 + 591.413@5.978137 5.978137 (592.4204, 2832.05)(593.43866, 1258.8875)(594.4244, 767.03) 5 591.413 591.413@5.978137 + Enniatin B4 5.9670935 C15757 Enniatin B4 [ C34 H59 N3 O9, mfg=94.68, db=94.69, overall=94.68, KEGG ID=C15757, METLIN ID=71088 ] (654.43335, 30383.586)(655.4367, 10626.327)(656.438, 3226.8962)(657.43976, 973.3737)(676.4139, 3750.49)(677.4174, 1978.1182)(678.3981, 1440.7001) 25 653.4264 Enniatin B4 + 241.9178@5.956392 5.956392 (242.92523, 3567.076)(243.9293, 563.14) 11 241.9178 241.9178@5.956392 + 377.8929@5.974949 5.974949 (378.89978, 1963.4366) 3 377.8929 377.8929@5.974949 + 445.8799@5.9378743 5.9378743 (446.88754, 3430.5012) 7 445.8799 445.8799@5.9378743 + 743.4643@5.969522 5.969522 (744.474, 4295.6514)(745.4755, 2087.686)(746.48206, 1210.99)(766.4525, 2816.6)(767.457, 1747.93) 5 743.4643 743.4643@5.969522 + 149.1052@6.0175924 6.0175924 (150.11243, 45111.895)(151.11516, 3546.178)(152.1168, 1108.5366) 13 149.1052 149.1052@6.0175924 + 673.431@6.014859 6.014859 (674.4381, 3325.266)(675.4415, 1509.278)(676.45416, 14980.888)(677.4574, 5696.538)(678.47046, 12522.51)(696.424, 1236.18)(697.4323, 713.55)(698.4357, 2278.94) 5 673.431 673.431@6.014859 + 3R-aminononanoic acid 6.019514 3R-aminononanoic acid [ C9 H19 N O2, mfg=47.83, db=47.80, overall=47.82, METLIN ID=35938 ] (174.14877, 9832.211)(175.14632, 2360.335) 13 173.1415 3R-aminononanoic acid + 637.3953@6.0117903 6.0117903 (638.4024, 3555.009)(639.40405, 1703.9663)(640.4157, 3493.53)(641.4197, 988.51)(660.3804, 938.65) 15 637.3953 637.3953@6.0117903 + 225.9442@6.0356846 6.0356846 (226.95155, 10723.278)(227.95499, 696.4025) 8 225.9442 225.9442@6.0356846 + C35 H59 O5 S2 + 6.0488815 6.0488815 [ C35 H59 O5 S2, mfg=88.93, overall=44.47 ] (624.38696, 5832.418)(625.39014, 2121.324)(626.394, 988.10004) 21 623.3797 C35 H59 O5 S2 + 6.0488815 + 377.8936@6.051363 6.051363 (378.90063, 1477.9299) 2 377.8936 377.8936@6.051363 + 429.9059@6.100129 6.100129 (430.91324, 3515.717) 27 429.9059 429.9059@6.100129 + C5 H13 N O2 6.058407 [ C5 H13 N O2, mfg=46.53, overall=46.53 ] (120.10184, 60529.234)(121.105255, 13728.775)(122.106, 1654.635)(102.09095, 6685.4443) 34 119.0945 C5 H13 N O2 + C15 H39 Cl N9 O4 6.0488667 [ C15 H39 Cl N9 O4, mfg=81.10, overall=81.10 ] (445.2881, 6291.1816)(446.2912, 1200.511)(447.2845, 1412.915) 27 444.2809 C15 H39 Cl N9 O4 + C33 H67 N3 S5 6.067405 [ C33 H67 N3 S5, mfg=81.77, overall=81.77 ] (666.39777, 5481.4175)(667.4019, 2331.5896)(668.41113, 1901.9839)(669.4155, 304.21002)(688.3824, 898.45) 22 665.3905 C33 H67 N3 S5 + C19 H37 N O4 6.077674 [ C19 H37 N O4, mfg=92.08, overall=92.08 ] (344.27905, 14099.376)(345.2825, 3029.4392)(346.28564, 1170.97)(366.26154, 760.805) 37 343.2718 C19 H37 N O4 + 5-Methylcytidine + 6.077912 6.077912 5-Methylcytidine [ C10 H15 N3 O5, mfg=59.40, db=59.39, overall=59.39, CAS ID=2140-61-6, HMP ID=HMDB00982, METLIN ID=5919 ] 2140-61-6 (258.10883, 4182.9854)(259.11246, 1237.2401) 13 257.1015 5-Methylcytidine + 6.077912 HMDB00982 + 817.6278@5.993613 5.993613 (818.636, 3903.231)(819.63934, 1977.0527)(820.6399, 950.15955) 30 817.6278 817.6278@5.993613 + 849.5448@6.090187 6.090187 (850.555, 2916.1626)(851.558, 1510.4424)(852.5601, 1638.2167)(853.5389, 744.37)(854.5531, 3802.52) 4 849.5448 849.5448@6.090187 + 843.6458@6.0899096 6.0899096 (844.6531, 4119.9243)(845.65656, 2478.6865)(846.6651, 2221.2437) 9 843.6458 843.6458@6.0899096 + 823.5493@5.98386 5.98386 (824.55786, 68359.45)(825.56104, 33009.496)(826.5676, 24319.705)(827.5711, 11856.659)(828.5657, 4446.99)(841.5784, 667.79)(846.5423, 1322.76) 19 823.5493 823.5493@5.98386 + 797.5332@5.9773664 5.9773664 (798.54065, 40663.535)(799.5451, 15129.7705)(800.54553, 9959.963)(801.54675, 3676.495)(802.5521, 1823.48)(820.5232, 1469.1416)(821.52893, 844.924)(822.5418, 1583.0283)(823.5405, 638.93) 22 797.5332 797.5332@5.9773664 + 737.4224@6.0726657 6.0726657 (738.4287, 5081.61)(739.4331, 2088.8318)(740.4252, 2967.0742)(741.41724, 1149.135)(742.4421, 1871.39) 6 737.4224 737.4224@6.0726657 + PE(20:2(11Z,14Z)/21:0) 6.132487 PE(20:2(11Z,14Z)/21:0) [ C46 H88 N O8 P, db=70.75, overall=70.75, Lipid ID=LMGP02010896, METLIN ID=77131 ] (836.61163, 2592.3135)(837.61584, 1366.712)(838.6199, 929.4367) 12 835.6051 PE(20:2(11Z,14Z)/21:0) + LMGP02010896 807.575@6.0009317 6.0009317 (808.58203, 29585.586)(809.5858, 14736.873)(810.5953, 11814.661)(811.5998, 4304.9023)(812.6094, 1244.9033) 26 807.575 807.575@6.0009317 + L-Norleucine + 6.0978947 6.0978947 C01933 L-Norleucine [ C6 H13 N O2, mfg=87.86, db=87.86, overall=87.86, CAS ID=327-57-1, Lipid ID=LMFA01100042, KEGG ID=C01933, HMP ID=HMDB01645, METLIN ID=6334 ] 327-57-1 (285.17813, 1332.5468)(132.10182, 406679.3)(133.10504, 29100.416)(154.08461, 7408.7905)(155.0836, 1344.1489) 37 131.0946 L-Norleucine + 6.0978947 HMDB01645 + LMFA01100042 furazolidone 6.1113214 C07999 furazolidone [ C8 H7 N3 O5, mfg=45.19, db=83.16, overall=64.17, CAS ID=67-45-8, KEGG ID=C07999, METLIN ID=4051 ] 67-45-8 (244.0534, 3278.2)(226.0451, 11923.97)(227.04825, 1442.9) 31 243.0462 furazolidone + Piperidine 6.0980835 C01746 Piperidine [ C5 H11 N, mfg=87.48, db=87.48, overall=87.48, CAS ID=110-89-4, KEGG ID=C01746, METLIN ID=64457 ] 110-89-4 (86.09646, 77094.66)(87.09977, 5387.554) 37 85.0892 Piperidine + Guanidinosuccinic Acid 6.0983543 C03139 Guanidinosuccinic Acid [ C5 H9 N3 O4, mfg=79.34, db=79.31, overall=79.33, CAS ID=6133-30-8, KEGG ID=C03139, HMP ID=HMDB03157, METLIN ID=10 ] 6133-30-8 (176.06554, 21763.457)(177.0692, 1901.7533) 37 175.0583 Guanidinosuccinic Acid HMDB03157 + C18 H5 N3 O3 6.100054 [ C18 H5 N3 O3, mfg=77.48, overall=77.48 ] (312.0403, 8443.3125)(313.04312, 1174.3936) 37 311.0331 C18 H5 N3 O3 + Trimethylamine 6.0988913 C00565 Trimethylamine [ C3 H9 N, mfg=87.37, db=87.37, overall=87.37, CAS ID=75-50-3, KEGG ID=C00565, HMP ID=HMDB00906, METLIN ID=3772 ] 75-50-3 (60.080505, 50091.926)(61.083935, 1884.1215) 35 59.0733 Trimethylamine HMDB00906 + 242.1758@6.098005 6.098005 (243.18318, 5169.374)(244.18848, 1287.2167)(245.1807, 3547.7002) 13 242.1758 242.1758@6.098005 + 206.1994@6.099 6.099 (207.2066, 24773.46)(208.2101, 2622.48) 1 206.1994 206.1994@6.099 + C5 H13 N O 6.09926 [ C5 H13 N O, mfg=99.65, overall=99.65 ] (207.20648, 8462.918)(208.21017, 2833.8975)(104.10701, 9970455.0)(105.11049, 527626.1)(106.11223, 34575.598)(107.11477, 1669.3062) 37 103.0997 C5 H13 N O + C19 H35 N O4 6.1243086 [ C19 H35 N O4, mfg=79.40, overall=79.40 ] (342.26334, 6677.403)(343.2663, 1728.2208) 13 341.2561 C19 H35 N O4 + C7 N O6 S + 6.142795 6.142795 [ C7 N O6 S, mfg=74.94, overall=37.47 ] (226.95158, 12065.265)(227.95512, 733.19165) 17 225.9443 C7 N O6 S + 6.142795 + 361.9185@6.1068883 6.1068883 (362.92578, 3362.4788) 25 361.9185 361.9185@6.1068883 + 3-Cyano-L-alanine 6.1465983 C02512 3-Cyano-L-alanine [ C4 H6 N2 O2, mfg=82.24, db=82.24, overall=82.24, CAS ID=6232-19-5, KEGG ID=C02512, METLIN ID=3241 ] 6232-19-5 (115.04994, 15478.387)(116.05308, 1363.7043)(97.039925, 1819.0674)(137.03201, 8373.893)(138.0351, 970.82) 21 114.0427 3-Cyano-L-alanine + 292.1057@6.155657 6.155657 (293.1133, 3261.1943)(294.1157, 906.24756) 9 292.1057 292.1057@6.155657 + 154.0031@6.1584277 6.1584277 (155.01027, 1908.2334) 3 154.0031 154.0031@6.1584277 + 569.2751@6.158 6.158 (570.2823, 1343.42) 1 569.2751 569.2751@6.158 + 1-Hydroxy-2-acetamidofluorene 6.1592774 C14481 1-Hydroxy-2-acetamidofluorene [ C15 H13 N O2, mfg=97.88, db=97.87, overall=97.87, CAS ID=2784-86-3, KEGG ID=C14481, METLIN ID=70093 ] 2784-86-3 (240.1019, 34194.883)(241.1055, 6506.8477)(242.10883, 1174.6924)(262.08368, 3537.604)(263.08237, 1474.0298) 35 239.0945 1-Hydroxy-2-acetamidofluorene + 823.549@6.1567707 6.1567707 (824.5574, 6904.115)(825.5597, 3681.4177)(826.5671, 3074.6687)(827.57184, 1170.6)(846.54706, 3046.6768)(847.55005, 1663.2251)(848.5464, 2693.55)(849.5471, 1717.03)(850.5482, 2681.77) 18 823.549 823.549@6.1567707 + 687.3826@6.1251607 6.1251607 (688.39343, 5053.9307)(689.3985, 2073.2468)(690.4012, 1587.5219)(691.40753, 435.39502) 20 687.3826 687.3826@6.1251607 + C20 H5 O3 6.1699595 [ C20 H5 O3, mfg=80.37, overall=80.37 ] (294.03238, 2958.8926)(295.03525, 664.87335) 17 293.0248 C20 H5 O3 + 886.5387@6.175174 6.175174 (887.5449, 2445.1467)(888.55566, 3113.1602)(889.5613, 1702.99)(869.5369, 974.77)(870.5441, 963.85)(871.5469, 983.16) 3 886.5387 886.5387@6.175174 + 659.4156@6.2003565 6.2003565 (660.4225, 3331.5647)(661.4234, 1605.9816)(662.43774, 7553.436)(663.4418, 2999.045)(664.4538, 9533.39)(677.454, 716.56)(682.40643, 1502.1866)(683.41644, 851.308)(684.4214, 4571.2744)(685.4242, 1838.206)(686.4363, 3298.89) 16 659.4156 659.4156@6.2003565 + 797.534@6.1820374 6.1820374 (798.5412, 4173.3057)(799.54517, 2042.6129)(800.5474, 1196.0074)(801.5488, 354.4) 21 797.534 797.534@6.1820374 + 826.5642@6.1824474 6.1824474 (827.5711, 1950.5641)(828.5588, 1208.53)(829.55035, 811.95) 5 826.5642 826.5642@6.1824474 + 811.5308@6.1746435 6.1746435 (812.5382, 2215.1199)(813.54675, 1245.2769)(814.5505, 1020.20166) 13 811.5308 811.5308@6.1746435 + 118.0418@6.172674 6.172674 (237.08708, 3718.43)(238.0923, 939.07996)(259.06958, 1236.325)(119.04925, 2258.0044)(136.07558, 10004.846)(137.0748, 3560.91) 9 118.0418 118.0418@6.172674 + 1010.6296@6.1737523 6.1737523 (1011.6376, 5611.7344)(1012.6412, 3459.2856)(1013.64954, 2881.456)(1014.65454, 1656.8372)(1015.6563, 674.8)(1033.616, 929.47)(1034.6437, 646.02) 26 1010.6296 1010.6296@6.1737523 + 984.6142@6.1728473 6.1728473 (985.6217, 4541.657)(986.6258, 2182.173)(987.63007, 1186.759)(988.6572, 305.26) 22 984.6142 984.6142@6.1728473 + 824.4897@6.173482 6.173482 (825.49756, 7424.9204)(826.5031, 3958.397)(827.5068, 1736.3381)(807.48553, 1126.852)(842.5188, 1388.3467) 23 824.4897 824.4897@6.173482 + 935.6389@6.146784 6.146784 (936.64545, 4200.43)(937.64734, 1473.55) 4 935.6389 935.6389@6.146784 + 810.5937@6.1831403 6.1831403 (811.5999, 4898.113)(812.6104, 1822.0773)(813.61414, 1004.20715)(833.57434, 1026.2151) 12 810.5937 810.5937@6.1831403 + Borreverine 6.172808 C09082 Borreverine [ C32 H40 N4, db=53.22, overall=53.22, CAS ID=51109-65-0, KEGG ID=C09082, METLIN ID=67413 ] 51109-65-0 (961.6584, 5300.7393)(962.6613, 3134.0393)(963.6713, 2625.0662)(964.67676, 1181.4441) 28 960.6512 Borreverine + 795.5707@6.11247 6.11247 (796.5784, 2627.09)(797.5809, 1146.9534)(813.6159, 1852.3) 3 795.5707 795.5707@6.11247 + o-Coumaric acid 6.174449 C01772 o-Coumaric acid [ C9 H8 O3, mfg=99.76, db=99.76, overall=99.76, CAS ID=583-17-5, KEGG ID=C01772, METLIN ID=306 ] 583-17-5 (165.05507, 11500.937)(166.05833, 2204.1365)(167.05945, 837.46497)(147.0447, 1634.7509)(148.0451, 1562.88)(182.08109, 107698.45)(183.0844, 11366.768)(184.08846, 1663.7867) 30 164.0473 o-Coumaric acid + 965.5178@6.2005954 6.2005954 (966.52454, 759.595)(967.53143, 784.38666)(968.5372, 1174.9133)(969.54785, 889.45496)(970.5533, 461.08)(948.5166, 1301.62)(988.5025, 1086.73)(989.5001, 542.0)(990.5217, 895.07) 4 965.5178 965.5178@6.2005954 + MID42329:(22S)-1?,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydrovitamin D3 / (22S)-1?,22,2 6.160147 MID42329:(22S)-1?,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydrovitamin D3 / (22S)-1?,22,2 [ C29 H44 O4, db=48.76, overall=48.76, Lipid ID=LMST03020398, METLIN ID=42329 ] (935.6424, 4652.6714)(936.646, 2199.6128)(937.64813, 1127.405) 24 934.6347 MID42329:(22S)-1?,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydrovitamin D3 / (22S)-1?,22,2 + LMST03020398 L-Norleucine + 6.176548 6.176548 C01933 L-Norleucine [ C6 H13 N O2, mfg=87.83, db=87.83, overall=87.83, CAS ID=327-57-1, Lipid ID=LMFA01100042, KEGG ID=C01933, HMP ID=HMDB01645, METLIN ID=6334 ] 327-57-1 (285.1775, 1189.0)(132.10179, 340869.12)(133.10493, 24657.59)(154.0844, 8324.221)(155.08237, 1760.0199) 34 131.0946 L-Norleucine + 6.176548 HMDB01645 + LMFA01100042 889.5096@6.159235 6.159235 (890.51575, 2685.9587)(891.5169, 1713.1411)(892.53296, 4634.7725)(893.53485, 2470.1829)(894.54254, 3338.2415)(895.5476, 1759.765)(896.5525, 4123.37) 9 889.5096 889.5096@6.159235 + C8 H11 O6 6.1736474 [ C8 H11 O6, mfg=83.09, overall=83.09 ] (429.10046, 3098.6602)(430.10358, 1547.6072)(204.0636, 5142.3096)(205.06699, 1205.8167)(226.04494, 18290.781)(227.04846, 2271.5557) 25 203.0558 C8 H11 O6 + 779.5432@6.142668 6.142668 (780.55066, 4809.7974)(781.55396, 2571.2542)(782.5664, 12884.322)(783.5696, 6810.9966)(784.5799, 2615.0466)(785.5844, 931.79504) 30 779.5432 779.5432@6.142668 + 692.443@6.17 6.17 (693.4508, 980.05)(675.4395, 2318.86)(676.4388, 1465.82)(677.4197, 685.89) 1 692.443 692.443@6.17 + 793.5769@6.17 6.17 (794.5841, 1026.01) 1 793.5769 793.5769@6.17 + 697.3932@6.172048 6.172048 (698.3982, 1013.30005)(699.4077, 777.33997) 2 697.3932 697.3932@6.172048 + Piperidine + 6.1769915 6.1769915 C01746 Piperidine [ C5 H11 N, mfg=87.38, db=87.38, overall=87.38, CAS ID=110-89-4, KEGG ID=C01746, METLIN ID=64457 ] 110-89-4 (86.096466, 79112.52)(87.09968, 5673.6978) 36 85.0892 Piperidine + 6.1769915 + 807.5747@6.179015 6.179015 (808.58203, 20014.387)(809.5855, 9762.094)(810.5952, 8461.241)(811.60016, 2767.6526)(812.6093, 1048.3243)(830.5626, 795.03) 27 807.5747 807.5747@6.179015 + PE(20:3(8Z,11Z,14Z)/17:0) 6.161041 PE(20:3(8Z,11Z,14Z)/17:0) [ C42 H78 N O8 P, db=15.80, overall=15.80, Lipid ID=LMGP02010910, METLIN ID=77145 ] (756.55054, 3403.9983)(757.55396, 1789.0929)(758.56885, 8208.934)(759.5722, 5278.1655)(760.58435, 18872.234) 22 755.5432 PE(20:3(8Z,11Z,14Z)/17:0) + LMGP02010910 843.6448@6.176442 6.176442 (844.653, 1633.5933)(845.65594, 1088.0225)(846.6624, 992.37177) 9 843.6448 843.6448@6.176442 + 781.5589@6.1677556 6.1677556 (782.5664, 13711.135)(783.56976, 4425.8315)(784.57666, 1797.4976)(785.58154, 703.47253)(804.5478, 949.03906) 26 781.5589 781.5589@6.1677556 + 973.5128@6.171725 6.171725 (974.5167, 1170.595)(975.5146, 587.43)(976.527, 599.67)(956.5113, 2018.91)(957.5105, 1323.0701)(958.5206, 1304.49) 2 973.5128 973.5128@6.171725 + 874.4692@6.1728597 6.1728597 (875.4773, 6746.5483)(876.4851, 3970.124)(877.4872, 2097.8071)(857.4707, 714.81) 19 874.4692 874.4692@6.1728597 + 961.5452@6.168788 6.168788 (962.54785, 922.96497)(963.5535, 806.16)(944.5435, 1479.21)(945.5461, 820.14)(946.5511, 1147.52)(984.534, 1258.24) 2 961.5452 961.5452@6.168788 + Guanidinosuccinic Acid + 6.1773696 6.1773696 C03139 Guanidinosuccinic Acid [ C5 H9 N3 O4, mfg=87.01, db=87.00, overall=87.01, CAS ID=6133-30-8, KEGG ID=C03139, HMP ID=HMDB03157, METLIN ID=10 ] 6133-30-8 (176.06564, 18750.771)(177.06891, 2000.496)(178.0777, 525.26) 35 175.0584 Guanidinosuccinic Acid + 6.1773696 HMDB03157 + 782.5624@6.1734033 6.1734033 (783.5702, 7444.582)(784.5765, 2423.0444)(785.5828, 1189.5022) 20 782.5624 782.5624@6.1734033 + 737.4245@6.197877 6.197877 (738.4333, 3530.636)(739.4378, 1726.1829)(740.4165, 5263.174)(741.4237, 2049.732)(742.42285, 1195.0725) 7 737.4245 737.4245@6.197877 + 729.3927@6.172 6.172 (730.4, 1674.66)(731.3952, 954.76) 1 729.3927 729.3927@6.172 + 908.6034@6.189715 6.189715 (909.62256, 1394.5216)(910.6275, 944.69995) 6 908.6034 908.6034@6.189715 + 915.5126@6.21173 6.21173 (916.5199, 2014.7524)(917.52277, 1331.3474)(918.5345, 2630.4434)(919.53845, 1494.815)(920.55115, 2460.63)(921.5528, 522.25)(898.50446, 2084.145)(899.5118, 1153.86)(900.5233, 5581.04)(901.5234, 3249.48)(902.5388, 2072.63)(938.50464, 1489.3334)(939.50616, 868.27997)(940.51416, 1608.4268)(941.513, 1266.14) 4 915.5126 915.5126@6.21173 + 978.6075@6.184448 6.184448 (979.6146, 5417.4775)(980.61475, 3421.469)(981.6237, 2799.6287)(982.62933, 1308.55)(983.6137, 1265.9701)(984.609, 960.18)(1001.5954, 801.725)(1002.583, 700.46) 25 978.6075 978.6075@6.184448 + 695.4157@6.166829 6.166829 (696.42206, 2697.9258)(697.42596, 1478.5201)(698.42535, 3026.7117)(699.42865, 1632.6549)(700.4218, 2177.29) 14 695.4157 695.4157@6.166829 + 976.6113@6.1854258 6.1854258 (977.62463, 941.43)(959.60803, 1981.545)(960.6113, 1268.825) 2 976.6113 976.6113@6.1854258 + 894.5397@6.1718884 6.1718884 (895.547, 1232.1699)(896.5546, 1299.95)(897.5566, 1339.79) 2 894.5397 894.5397@6.1718884 + 865.5105@6.174917 6.174917 (866.51953, 2972.3748)(867.5222, 1690.271)(868.53076, 2843.0642)(869.53326, 1277.3573)(870.5462, 2462.1833)(871.5484, 440.88) 18 865.5105 865.5105@6.174917 + 923.5136@6.160925 6.160925 (924.5205, 2834.9092)(925.52325, 1681.1666)(926.5326, 1914.5763)(927.537, 797.652)(928.55023, 1717.445)(929.5501, 680.8)(906.5098, 2385.51)(907.5137, 1725.21)(908.5277, 4905.0)(909.5319, 2598.97)(910.5385, 4139.45)(911.5433, 1721.77)(912.5553, 1510.16) 12 923.5136 923.5136@6.160925 + 707.4132@6.161253 6.161253 (708.4208, 4261.152)(709.42377, 1923.4725)(710.4342, 1460.2161)(730.397, 670.17) 9 707.4132 707.4132@6.161253 + 763.4245@6.177765 6.177765 (764.4244, 1261.41)(765.43036, 784.19)(766.42975, 1450.74) 3 763.4245 763.4245@6.177765 + 751.4204@6.179335 6.179335 (752.42285, 1734.36)(753.4253, 941.77875)(754.43317, 2724.3726)(755.4352, 1686.095) 9 751.4204 751.4204@6.179335 + 850.5511@6.184466 6.184466 (851.55646, 2560.7263)(852.56445, 1604.3312)(853.5539, 953.8233) 9 850.5511 850.5511@6.184466 + 875.5612@6.1523185 6.1523185 (876.5655, 5043.51)(877.5675, 2787.3188)(878.56537, 3504.5928)(879.5683, 1878.9653)(880.5639, 3335.6436)(881.5653, 1205.8049)(882.5791, 1849.9)(893.5857, 887.01) 23 875.5612 875.5612@6.1523185 + 952.5915@6.1858735 6.1858735 (953.5973, 4334.359)(954.5997, 2480.0574)(955.59827, 1250.1129)(956.6119, 407.14) 15 952.5915 952.5915@6.1858735 + 953.5948@6.1923594 6.1923594 (954.60095, 3172.0522)(955.6046, 1325.505) 4 953.5948 953.5948@6.1923594 + 881.5729@6.2008414 6.2008414 (882.58075, 1817.8881)(883.5843, 967.896)(884.59503, 986.5933)(904.5635, 1270.4)(905.55115, 815.85)(906.57715, 1298.3401)(907.5762, 965.51) 5 881.5729 881.5729@6.2008414 + C36 H55 N7 O4 6.164735 [ C36 H55 N7 O4, mfg=99.45, overall=99.45 ] (650.4387, 77045.73)(651.44214, 32827.266)(652.44415, 8243.099)(653.44635, 1838.1476)(672.42065, 30714.459)(673.424, 11478.857)(674.43536, 6368.8066)(675.43994, 1297.0166) 32 649.4313 C36 H55 N7 O4 + 849.5462@6.1949506 6.1949506 (850.5533, 4095.6665)(851.5517, 2027.3921)(852.5461, 2896.7317)(853.5415, 6221.77)(872.5439, 600.25) 26 849.5462 849.5462@6.1949506 + C4 H11 O5 S 6.18586 [ C4 H11 O5 S, mfg=87.18, overall=87.18 ] (365.0552, 3811.1628)(366.058, 1403.6733)(367.0527, 819.21)(172.04019, 5852.659)(173.04353, 1145.414)(174.0368, 1127.005)(189.06685, 802.46497)(194.02237, 16462.541)(195.02574, 1690.2189)(196.01848, 1652.6589) 30 171.033 C4 H11 O5 S + 55.0421@6.183447 6.183447 (56.04934, 3658.155) 10 55.0421 55.0421@6.183447 + 605.3303@6.182323 6.182323 (606.3374, 6173.625)(607.3409, 2009.4043)(608.34674, 954.7325) 11 605.3303 605.3303@6.182323 + THTC 6.1869273 C11074 THTC [ C5 H8 O2 S, mfg=98.68, db=98.68, overall=98.68, KEGG ID=C11074, METLIN ID=68817 ] (133.0315, 24942.156)(134.03458, 1959.4305)(135.02788, 1710.4426)(150.05824, 175009.05)(151.06126, 10852.296)(152.05576, 8474.667)(153.0611, 3157.09)(155.0107, 1008.1) 37 132.0244 THTC + 103.0454@6.188102 6.188102 (104.05285, 11164.811)(105.0584, 1312.96)(106.04941, 1683.9733) 21 103.0454 103.0454@6.188102 + 795.5183@6.1894217 6.1894217 (796.52673, 1950.7805)(797.5335, 973.791)(798.5412, 3616.1736)(799.5455, 1860.8232)(800.5507, 933.86005)(813.5462, 2028.64)(814.5467, 915.85)(815.563, 901.65) 14 795.5183 795.5183@6.1894217 + 396.9769@6.1869273 6.1869273 (397.9839, 1555.2999) 8 396.9769 396.9769@6.1869273 + 635.3802@6.181629 6.181629 (636.3873, 3105.995)(637.3906, 825.21)(658.37244, 2466.5)(659.3759, 1113.94) 2 635.3802 635.3802@6.181629 + 707.4762@6.172116 6.172116 (708.48676, 4132.965)(709.4891, 1877.9188)(710.49164, 1442.988)(725.5183, 1377.51)(730.4616, 1182.64)(731.4716, 562.97)(732.4628, 533.7) 20 707.4762 707.4762@6.172116 + C26 H51 N13 O3 S 6.183819 [ C26 H51 N13 O3 S, mfg=95.27, overall=95.27 ] (626.4023, 9289.38)(627.40546, 3329.3335)(628.40344, 1339.33)(648.3847, 5198.8906)(649.3881, 1881.2726) 24 625.395 C26 H51 N13 O3 S + C31 H51 O10 6.1896834 [ C31 H51 O10, mfg=97.41, overall=97.41 ] (584.3554, 11454.026)(585.35876, 3705.1216)(586.3609, 1143.203)(606.33746, 7418.4624)(607.3415, 2491.8955)(608.342, 988.508) 24 583.3479 C31 H51 O10 + 225.9444@6.2077603 6.2077603 (226.9517, 10944.16)(227.9553, 1325.96) 3 225.9444 225.9444@6.2077603 + 633.8694@6.181037 6.181037 (634.87573, 1332.245) 4 633.8694 633.8694@6.181037 + 497.8944@6.163314 6.163314 (498.90082, 2368.971) 20 497.8944 497.8944@6.163314 + 310.1097@6.2 6.2 (311.117, 1054.8) 1 310.1097 310.1097@6.2 + Trolamine 6.2068024 C06771 Trolamine [ C6 H15 N O3, mfg=95.28, db=95.28, overall=95.28, CAS ID=102-71-6, KEGG ID=C06771, METLIN ID=43365 ] 102-71-6 (299.2172, 993.1)(150.11246, 20844.49)(151.11543, 1690.8168)(152.11649, 901.25507)(172.09525, 14611.191)(173.09792, 1716.8945)(174.08754, 886.68164) 26 149.1054 Trolamine + C10 H18 N2 O4 6.2082133 [ C10 H18 N2 O4, mfg=47.62, overall=47.62 ] (231.13374, 5054.801)(213.12334, 995.9) 22 230.1265 C10 H18 N2 O4 + C25 H18 N 6.2064257 [ C25 H18 N, mfg=80.91, overall=40.45 ] (333.15182, 3198.0166)(334.1539, 946.1186)(355.1341, 785.7) 15 332.1443 C25 H18 N + C9 H16 N2 O9 6.207154 [ C9 H16 N2 O9, mfg=82.22, overall=82.22 ] (297.09207, 15180.071)(298.09583, 1937.7004) 37 296.0848 C9 H16 N2 O9 + N(alpha)-t-Butoxycarbonyl-L-leucine 6.2090387 C04301 N(alpha)-t-Butoxycarbonyl-L-leucine [ C11 H21 N O4, mfg=77.31, db=77.30, overall=77.30, KEGG ID=C04301, METLIN ID=66157 ] (480.3299, 735.11)(232.15433, 9676.482)(233.15755, 1768.9413)(234.15013, 689.8033) 37 231.147 N(alpha)-t-Butoxycarbonyl-L-leucine + C8 H16 O6 6.207826 [ C8 H16 O6, mfg=92.59, overall=92.59 ] (209.10191, 18974.264)(210.10847, 2108.598)(211.10733, 1092.3346)(191.0884, 1471.75)(226.12962, 6612.689)(227.13809, 1346.8438)(228.13431, 1252.5856)(231.08398, 27033.86)(232.08823, 2610.4485)(233.0835, 1187.7657) 37 208.0947 C8 H16 O6 + C10 H20 O7 6.207153 [ C10 H20 O7, mfg=98.38, overall=98.38 ] (253.12804, 45020.46)(254.13228, 5405.1577)(255.13315, 1429.3392)(270.15457, 67914.16)(271.1589, 8773.118)(272.16122, 1795.1053)(273.16904, 678.41003)(275.11026, 91061.9)(276.11368, 10545.865)(277.1239, 3073.7517)(278.13177, 747.705) 37 252.1209 C10 H20 O7 + Sethoxydim + 6.207309 6.207309 C18539 Sethoxydim [ C17 H29 N O3 S, mfg=72.56, db=72.53, overall=72.54, CAS ID=74051-80-2, KEGG ID=C18539, METLIN ID=72345 ] 74051-80-2 (328.19638, 6546.6997)(329.20032, 1353.5729)(330.18646, 937.995) 23 327.1894 Sethoxydim + 6.207309 + C11 H18 N2 O3 S2 6.2079496 [ C11 H18 N2 O3 S2, mfg=88.69, overall=88.69 ] (291.0841, 15467.082)(292.08768, 2068.7358)(293.08398, 1648.694)(313.06592, 8827.776)(314.06943, 1266.6978) 30 290.0768 C11 H18 N2 O3 S2 + C10 H16 N7 O2 6.207879 [ C10 H16 N7 O2, mfg=76.21, overall=76.21 ] (267.1452, 2524.102)(268.14676, 985.7233)(269.1473, 827.45)(284.17087, 3728.289)(285.17526, 905.7175)(289.1258, 5067.9146)(290.12982, 959.96716) 26 266.1369 C10 H16 N7 O2 + 151.0241@6.208787 6.208787 (325.0398, 605.89)(152.03189, 1251.885)(174.0135, 4131.21) 2 151.0241 151.0241@6.208787 + 186.0503@6.2070704 6.2070704 (187.05777, 3487.184)(188.06784, 1021.76117)(204.0872, 674.66)(209.03976, 1196.768) 14 186.0503 186.0503@6.2070704 + 771.5214@6.1945395 6.1945395 (772.52783, 1374.0674)(773.5362, 838.3133) 4 771.5214 771.5214@6.1945395 + 225.1252@6.2085943 6.2085943 (226.13353, 7482.4263)(227.14224, 1510.1943)(228.13474, 1396.244) 7 225.1252 225.1252@6.2085943 + C28 H63 N8 O3 S4 6.201929 [ C28 H63 N8 O3 S4, mfg=92.43, overall=92.43 ] (688.39624, 11631.631)(689.40063, 4389.8)(690.3992, 3155.264)(691.39935, 878.6175)(710.3759, 633.96) 25 687.3879 C28 H63 N8 O3 S4 + Diethanolamine 6.208659 C06772 Diethanolamine [ C4 H11 N O2, mfg=86.10, db=86.10, overall=86.10, CAS ID=111-42-2, KEGG ID=C06772, HMP ID=HMDB04437, METLIN ID=3239 ] 111-42-2 (106.08623, 41400.465)(107.08951, 2899.6511) 36 105.0789 Diethanolamine HMDB04437 + 105.1179@6.208194 6.208194 (106.12538, 1925.4663) 8 105.1179 105.1179@6.208194 + (R)-(+)-2-Pyrrolidone-5-carboxylic acid 6.2081575 C02237 (R)-(+)-2-Pyrrolidone-5-carboxylic acid [ C5 H7 N O3, mfg=69.51, db=69.50, overall=69.51, CAS ID=4042-36-8, KEGG ID=C02237, HMP ID=HMDB00805, METLIN ID=63632 ] 4042-36-8 (130.04985, 5885.7363)(131.05295, 899.1925)(147.07605, 1127.568)(152.03168, 1413.7162) 27 129.0425 (R)-(+)-2-Pyrrolidone-5-carboxylic acid HMDB00805 + 883.5194@6.2030034 6.2030034 (884.52625, 3107.6611)(885.52814, 2031.7275)(886.5406, 2882.9402)(887.54486, 1620.2032)(888.55725, 1932.155)(889.562, 450.64)(866.5197, 2820.57)(867.5215, 1495.0367)(868.5301, 2158.83)(869.5332, 1126.59)(906.5096, 1469.1274)(907.5139, 1020.85004)(908.5286, 3587.1633)(909.5329, 2060.1501)(910.5396, 3007.5) 8 883.5194 883.5194@6.2030034 + 189.9855@6.2203403 6.2203403 (380.9726, 1231.33)(402.9602, 1367.88)(190.99321, 2738.1453)(212.97449, 1430.76) 6 189.9855 189.9855@6.2203403 + 725.4245@6.1867743 6.1867743 (726.4332, 3092.386)(727.4427, 1555.1575)(728.4367, 1707.52)(729.423, 638.61)(708.4213, 7439.91)(709.4251, 3485.11)(710.435, 2239.36) 5 725.4245 725.4245@6.1867743 + C7 H17 N O3 6.2248206 [ C7 H17 N O3, mfg=96.85, overall=96.85 ] (164.1281, 64666.97)(165.13162, 5720.1567)(166.13133, 2055.1702)(167.1432, 936.9)(146.11732, 2257.9802) 27 163.1208 C7 H17 N O3 + 131.0943@6.2169356 6.2169356 (132.1017, 167574.16)(133.10385, 13156.239)(154.084, 10260.99) 4 131.0943 131.0943@6.2169356 + 858.5787@6.2458777 6.2458777 (859.5855, 1592.91)(860.5991, 1497.71) 3 858.5787 858.5787@6.2458777 + 190.0742@6.2385063 6.2385063 (191.08151, 41101.242)(192.08466, 5721.679)(193.08934, 1687.3633)(208.107, 611.165)(213.064, 1451.59) 14 190.0742 190.0742@6.2385063 + C19 H42 N6 O5 S 6.24963 [ C19 H42 N6 O5 S, mfg=85.14, overall=85.14 ] (467.30106, 10725.477)(468.30426, 1867.886)(469.2959, 959.9883) 37 466.2939 C19 H42 N6 O5 S + 340.1108@6.251222 6.251222 (341.11807, 4394.625)(342.1214, 1883.23) 6 340.1108 340.1108@6.251222 + 466.7954@6.2498627 6.2498627 (956.5749, 885.14)(467.80286, 5517.8647)(468.80536, 846.7171)(469.796, 638.0) 26 466.7954 466.7954@6.2498627 + C12 H24 O8 6.2532945 [ C12 H24 O8, mfg=99.67, overall=99.67 ] (297.1542, 21857.768)(298.1585, 3056.1038)(299.15894, 1126.8347)(314.18073, 115913.72)(315.18423, 16095.745)(316.1867, 3464.5078)(317.1905, 765.838)(319.13602, 28683.139)(320.13974, 3809.4988)(321.14444, 1302.2136)(322.1417, 307.82) 37 296.1469 C12 H24 O8 + 687.4467@6.255388 6.255388 (688.4537, 20298.98)(689.4589, 8303.869)(690.4366, 8422.998)(691.4372, 2362.545)(692.4483, 676.51)(710.4369, 9142.115)(711.4399, 8177.73) 22 687.4467 687.4467@6.255388 + Mesquitol-4beta-ol 3,8-dimethyl ether 6.25176 Mesquitol-4beta-ol 3,8-dimethyl ether [ C17 H18 O7, mfg=37.02, db=36.24, overall=36.63, Lipid ID=LMPK12020195, METLIN ID=47411 ] (686.2414, 738.29)(335.11075, 3154.1506)(336.1143, 1484.49)(337.1081, 1180.105) 12 334.1032 Mesquitol-4beta-ol 3,8-dimethyl ether + LMPK12020195 C18 H33 N O4 6.260794 [ C18 H33 N O4, mfg=68.57, overall=68.57 ] (328.2479, 3727.5715)(329.2507, 1168.8326) 15 327.2408 C18 H33 N O4 + 620.7641@6.2687526 6.2687526 (621.7709, 2030.3441)(622.77374, 887.805) 5 620.7641 620.7641@6.2687526 + 595.3291@6.2622085 6.2622085 (596.336, 1654.32) 3 595.3291 595.3291@6.2622085 + 827.5301@6.2577877 6.2577877 (828.54034, 2429.8638)(829.5404, 1471.1125)(830.55145, 4492.37)(831.5564, 3562.18)(832.5691, 17890.63) 5 827.5301 827.5301@6.2577877 + C30 H64 Cl N3 O5 S2 6.268547 [ C30 H64 Cl N3 O5 S2, mfg=73.25, overall=73.25 ] (646.4073, 10831.36)(647.4105, 4181.8804)(648.4032, 6555.5767)(649.3967, 3507.7703)(650.4365, 2500.44)(651.4407, 208.92)(663.439, 939.05)(668.3889, 994.71) 33 645.4003 C30 H64 Cl N3 O5 S2 + C26 H49 N O S2 6.2762895 [ C26 H49 N O S2, mfg=76.87, overall=76.87 ] (456.33127, 4581.269)(457.3336, 1679.2266)(458.34235, 1041.4943) 32 455.3242 C26 H49 N O S2 + 859.5919@6.2863774 6.2863774 (860.5989, 4053.8376)(861.60284, 2401.635)(862.6099, 2284.8398)(863.6164, 2401.1)(882.5802, 1293.5825)(883.58215, 809.98)(884.5967, 1548.75)(885.5992, 780.39) 13 859.5919 859.5919@6.2863774 + C32 H53 O10 6.2764544 [ C32 H53 O10, mfg=97.07, overall=97.07 ] (598.37103, 19741.674)(599.3744, 6851.917)(600.37634, 1840.1757)(601.37714, 854.2233)(620.3547, 3102.6584)(621.3585, 1589.265)(622.371, 4697.65)(623.3803, 1647.47)(624.3944, 128.26) 27 597.3639 C32 H53 O10 + C37 H55 N10 O4 6.2767878 [ C37 H55 N10 O4, mfg=71.16, overall=35.58 ] (704.4478, 17272.506)(705.4506, 7363.565)(706.465, 14695.2705)(707.4682, 6862.596)(708.4746, 907.07)(686.4369, 5243.0303)(687.4407, 2317.51)(721.4824, 978.865)(726.42926, 5172.0)(727.43475, 2745.7131)(728.44543, 3970.1199) 23 703.4415 C37 H55 N10 O4 + 783.467@6.2879863 6.2879863 (784.4729, 2014.919)(785.4748, 1124.7332)(786.47394, 1504.012)(787.4946, 253.51) 10 783.467 783.467@6.2879863 + C38 H55 N O2 S2 6.281466 [ C38 H55 N O2 S2, mfg=78.01, overall=78.01 ] (622.37225, 5204.3374)(623.38007, 2000.1304)(624.3836, 919.72253)(644.352, 1887.165)(645.3582, 808.74) 19 621.3651 C38 H55 N O2 S2 + C17 H33 N O4 6.291185 [ C17 H33 N O4, mfg=94.15, overall=94.15 ] (648.5183, 1198.26)(316.2479, 14707.893)(317.25104, 2910.67)(318.2525, 989.35486)(338.2312, 757.96) 36 315.2406 C17 H33 N O4 + 717.4255@6.283607 6.283607 (718.433, 3447.5344)(719.437, 1428.3849)(720.4511, 1619.87)(700.4263, 2327.32) 7 717.4255 717.4255@6.283607 + C36 H59 O9 6.2703915 [ C36 H59 O9, mfg=96.57, overall=96.57 ] (636.4229, 26222.637)(637.4267, 9813.195)(638.4286, 2953.2463)(639.42426, 977.0311)(653.4446, 622.21)(658.4057, 6371.1094)(659.4089, 3321.165) 34 635.4157 C36 H59 O9 + 930.5614@6.2842803 6.2842803 (931.56934, 1055.7233)(932.5795, 643.94) 3 930.5614 930.5614@6.2842803 + 643.3485@6.295 6.295 (644.3558, 4749.56)(645.3568, 1418.11) 1 643.3485 643.3485@6.295 + 967.5286@6.3052125 6.3052125 (968.5385, 1414.03)(969.5368, 822.74)(970.5268, 667.45)(950.5249, 1509.17)(951.5268, 919.32)(990.5167, 719.56) 2 967.5286 967.5286@6.3052125 + 885.5366@6.297 6.297 (886.5426, 2709.25)(887.5477, 2367.51)(908.5285, 1903.23)(909.5324, 1032.41)(910.5392, 1178.02)(911.5462, 694.96) 1 885.5366 885.5366@6.297 + 745.453@6.243471 6.243471 (746.4595, 1824.88)(747.46155, 926.5776)(748.4465, 1051.3534) 4 745.453 745.453@6.243471 + 662.4001@6.320037 6.320037 (663.4077, 2040.72)(664.4125, 1163.71) 4 662.4001 662.4001@6.320037 + 923.5141@6.2941384 6.2941384 (924.51953, 2536.3528)(925.5245, 1540.3667)(926.5367, 2138.825)(927.53827, 1279.73)(928.5502, 2193.5)(929.5541, 971.91)(930.5632, 2111.88)(906.5083, 1419.2968)(907.5219, 1250.29)(908.5273, 5810.26)(909.5318, 1818.28)(910.5389, 4860.42) 7 923.5141 923.5141@6.2941384 + 725.4223@6.3109884 6.3109884 (726.4307, 4796.49)(727.4356, 2079.7068)(728.44403, 3619.1628)(729.4492, 1884.6475)(730.4522, 5326.1377)(743.4675, 1084.01) 9 725.4223 725.4223@6.3109884 + 881.5054@6.233009 6.233009 (882.5096, 2222.616)(883.51434, 1337.7856)(884.5267, 4243.485)(885.53076, 2466.567)(886.5421, 5520.8335)(904.4893, 811.83) 10 881.5054 881.5054@6.233009 + 922.6299@6.2725844 6.2725844 (923.6378, 1732.1174)(924.63794, 1183.295) 4 922.6299 922.6299@6.2725844 + 765.4477@6.248923 6.248923 (766.4511, 1037.22)(767.45984, 793.815)(768.4393, 1128.95) 2 765.4477 765.4477@6.248923 + 779.5437@6.280878 6.280878 (780.5508, 3692.7925)(781.5548, 2068.602)(782.56665, 15083.826)(783.5702, 7767.45)(784.5783, 2989.96)(785.5861, 771.53) 16 779.5437 779.5437@6.280878 + 879.5551@6.20763 6.20763 (880.5625, 2054.0452)(881.5659, 1108.3779)(882.58026, 2008.434)(883.5796, 548.67)(884.595, 473.72)(902.53796, 1087.0549) 6 879.5551 879.5551@6.20763 + 795.0674@6.3 6.3 (796.0747, 1367.42)(797.0828, 676.21) 1 795.0674 795.0674@6.3 + 739.4018@6.1945596 6.1945596 (740.41205, 10429.8125)(741.4167, 4225.028)(742.42175, 2594.32)(743.4219, 627.89667)(757.4448, 1576.45) 26 739.4018 739.4018@6.1945596 + 707.4179@6.2172894 6.2172894 (708.4197, 2819.6267)(709.4238, 1042.1833) 3 707.4179 707.4179@6.2172894 + 891.5799@6.301 6.301 (892.5876, 1219.78)(893.584, 592.86)(914.5689, 1503.6)(915.5797, 994.55) 1 891.5799 891.5799@6.301 + 709.4292@6.274426 6.274426 (710.437, 3892.9214)(711.43964, 1868.4479)(712.41656, 3336.673)(713.42114, 1688.2524)(714.43115, 4971.395)(715.4346, 469.05) 14 709.4292 709.4292@6.274426 + 3-Buten-1-amine 6.3197694 C12244 3-Buten-1-amine [ C4 H9 N, mfg=98.09, db=98.09, overall=98.09, KEGG ID=C12244, METLIN ID=69390 ] (165.13432, 869.0725)(72.08077, 92021.99)(73.08409, 4352.7197)(74.0944, 1079.04)(94.0646, 925.48) 37 71.0735 3-Buten-1-amine + C42 H61 N4 O S2 6.289412 [ C42 H61 N4 O S2, mfg=47.62, overall=47.62 ] (702.4319, 7001.1123)(703.4362, 2972.581)(704.42676, 10311.566)(705.44824, 4660.6934)(706.4546, 4763.263)(719.4625, 5287.0)(724.41876, 1587.075)(725.4264, 1071.09)(726.4272, 2816.29)(727.4391, 1397.74)(728.442, 2756.94) 21 701.4264 C42 H61 N4 O S2 + 884.5937@6.302 6.302 (885.6009, 2010.71)(886.6161, 1464.81)(887.6178, 754.47) 1 884.5937 884.5937@6.302 + C37 H59 N3 O8 6.3069735 [ C37 H59 N3 O8, mfg=97.46, overall=97.46 ] (674.4379, 13677.305)(675.4404, 5595.437)(676.4462, 1484.87)(696.42096, 4686.947)(697.42596, 2400.934) 20 673.4312 C37 H59 N3 O8 + 781.5591@6.291927 6.291927 (782.56665, 13122.942)(783.5701, 5731.9863)(784.5781, 2612.9177)(804.544, 778.56) 17 781.5591 781.5591@6.291927 + 823.5486@6.2920547 6.2920547 (824.55566, 3204.3052)(825.56165, 1594.051)(826.5654, 1352.9327)(827.5725, 1368.76)(828.5531, 1042.33)(846.5425, 1001.005) 10 823.5486 823.5486@6.2920547 + 808.5782@6.3269615 6.3269615 (809.58356, 42776.156)(810.5932, 17971.393)(811.59845, 5174.595)(812.6072, 1362.26) 6 808.5782 808.5782@6.3269615 + 961.5498@6.305397 6.305397 (962.5578, 1238.82)(963.5539, 830.13)(964.5695, 1094.09)(944.5487, 1204.59)(945.5532, 798.83)(946.5642, 1339.57)(947.5603, 562.47)(984.5336, 818.72) 2 961.5498 961.5498@6.305397 + 861.6042@6.31493 6.31493 (862.61096, 3782.6975)(863.61755, 1717.1062)(864.6255, 1760.8561)(884.59406, 2229.61)(885.59845, 1212.7516)(886.60504, 1049.6201) 8 861.6042 861.6042@6.31493 + 946.6349@6.3132734 6.3132734 (947.64166, 1766.7394)(948.64404, 1121.37)(949.65405, 967.2322) 13 946.6349 946.6349@6.3132734 + 843.6465@6.319154 6.319154 (844.65326, 2590.9353)(845.65704, 1569.1039)(846.66406, 1318.62)(847.6698, 318.07) 21 843.6465 843.6465@6.319154 + 784.5787@6.303 6.303 (785.586, 2380.27) 1 784.5787 784.5787@6.303 + 507.1513@6.3193593 6.3193593 (508.15875, 2548.4722)(509.1631, 874.9666) 15 507.1513 507.1513@6.3193593 + 2S-amino-pentanoic acid + 6.319823 6.319823 C01826 2S-amino-pentanoic acid [ C5 H11 N O2, mfg=99.72, db=99.72, overall=99.72, KEGG ID=C01826, METLIN ID=35949 ] (257.14792, 886.41754)(118.086105, 426635.8)(119.08945, 26659.803)(120.09543, 2310.4688)(140.06915, 6912.749)(141.0679, 1919.6775) 37 117.0788 2S-amino-pentanoic acid + 6.319823 + 817.6272@6.315239 6.315239 (818.63525, 2565.6619)(819.63824, 1451.11)(820.63947, 749.442) 16 817.6272 817.6272@6.315239 + 763.4357@6.3182545 6.3182545 (764.4448, 1386.69)(765.4403, 1053.04)(766.4509, 1846.5901)(767.45715, 538.675)(768.4511, 512.215) 3 763.4357 763.4357@6.3182545 + 753.4222@6.2633877 6.2633877 (754.4297, 3066.8462)(755.4335, 1533.3689)(756.4385, 1641.9418)(757.4409, 473.67502)(758.4389, 818.38)(736.4204, 999.27)(771.4559, 1065.9266)(776.4075, 769.22) 10 753.4222 753.4222@6.2633877 + 875.5855@6.263925 6.263925 (876.57635, 4607.359)(877.5781, 2486.598)(878.5649, 3664.3098)(879.5528, 1717.16)(880.5614, 2190.85)(858.5824, 21017.14)(859.5861, 10200.32)(898.5773, 1463.84)(899.5796, 877.16) 11 875.5855 875.5855@6.263925 + 878.549@6.219427 6.219427 (879.5605, 1632.82)(880.5628, 1344.36)(881.5657, 913.35) 4 878.549 878.549@6.219427 + 755.5426@6.27439 6.27439 (756.55035, 2992.8013)(757.55414, 1791.42)(758.5689, 6158.1016)(759.57245, 3108.7273) 14 755.5426 755.5426@6.27439 + 797.5326@6.262022 6.262022 (798.5416, 2601.669)(799.5468, 1463.6267)(800.54663, 1179.725)(820.5269, 784.79)(821.5299, 858.48)(822.5446, 396.6) 9 797.5326 797.5326@6.262022 + 779.4236@6.391583 6.391583 (780.4308, 2377.0132)(781.4368, 1265.6401)(782.4501, 899.945) 9 779.4236 779.4236@6.391583 + 805.5471@6.3419127 6.3419127 (806.56024, 4252.311)(807.5637, 2254.14)(808.5803, 88655.164)(828.5371, 3403.58)(829.5405, 1915.085)(830.553, 6114.29)(831.5569, 2885.22)(832.5687, 11332.67) 12 805.5471 805.5471@6.3419127 + 831.5622@6.308235 6.308235 (832.5699, 10951.588)(833.5731, 5087.0903)(834.5869, 15487.721)(835.5926, 10414.443)(836.60455, 45084.418)(854.5531, 5756.9175)(855.556, 4090.332)(856.56836, 12746.855)(857.57227, 3819.4023)(858.58234, 9097.893)(859.5858, 12128.03)(860.5922, 3049.64) 18 831.5622 831.5622@6.308235 + 899.5149@6.2114425 6.2114425 (900.52246, 2620.9336)(901.5241, 1647.9287)(902.53644, 2223.78)(903.5404, 1332.2274)(904.5576, 1640.9824)(882.5103, 2058.2932)(883.5138, 1397.99)(884.52576, 3715.2402)(885.53, 2666.4849)(886.5409, 4893.885)(922.5065, 2119.1)(923.51575, 1361.8049)(924.5209, 3454.705)(925.5229, 2801.03)(926.5325, 2912.42) 9 899.5149 899.5149@6.2114425 + C4 H7 N3 O4 6.321146 [ C4 H7 N3 O4, mfg=83.12, overall=83.12 ] (162.05023, 20657.021)(163.05324, 1565.8715) 36 161.0429 C4 H7 N3 O4 + 667.3843@6.2930074 6.2930074 (668.3951, 3481.567)(669.3969, 1758.2482)(670.40393, 5277.495)(671.4083, 2097.99)(672.42017, 3901.875)(685.42334, 1378.555)(686.4087, 1598.54) 7 667.3843 667.3843@6.2930074 + C15 H16 N4 O S 6.3194084 [ C15 H16 N4 O S, mfg=76.03, overall=76.03 ] (301.11118, 5979.421)(302.1147, 1044.5325) 31 300.1037 C15 H16 N4 O S + 694.4609@6.312085 6.312085 (695.4685, 15479.748)(696.468, 4400.5024)(697.4718, 1492.215)(717.4503, 3628.335)(718.4558, 1443.3) 8 694.4609 694.4609@6.312085 + 721.413@6.305599 6.305599 (722.425, 2388.3484)(723.42633, 1135.665)(724.41833, 2779.0818)(725.4228, 1580.7567)(726.42847, 5490.4297) 6 721.413 721.413@6.305599 + 795.5799@6.2869425 6.2869425 (796.5824, 1485.928)(797.584, 921.30994)(798.5923, 1356.01)(813.6178, 2387.3198) 5 795.5799 795.5799@6.2869425 + 188.08@6.305256 6.305256 (189.08713, 4324.19)(190.09065, 771.16003)(211.06923, 6862.3945)(212.0738, 1043.94)(213.0658, 1012.19) 21 188.08 188.08@6.305256 + 489.3458@6.308818 6.308818 (490.35214, 2319.025)(491.3682, 1126.06) 2 489.3458 489.3458@6.308818 + 681.4055@6.251462 6.251462 (682.4123, 5908.4883)(683.4182, 3193.8875)(684.4183, 3093.325)(685.42444, 1108.7) 10 681.4055 681.4055@6.251462 + C17 H3 N3 O3 6.3247585 [ C17 H3 N3 O3, mfg=85.33, overall=85.33 ] (298.02466, 4162.068)(299.02737, 730.24664) 21 297.0175 C17 H3 N3 O3 + 735.4266@6.313911 6.313911 (736.43964, 2737.527)(737.4386, 1197.4999)(738.4344, 3500.5916)(739.43726, 1701.7017)(740.4468, 3848.43)(753.4638, 1715.38)(758.4203, 894.9) 7 735.4266 735.4266@6.313911 + C27 H52 Cl N3 O 6.3159947 [ C27 H52 Cl N3 O, mfg=66.82, overall=66.82 ] (470.3831, 2656.554)(471.38644, 1159.4266)(472.396, 1420.9199) 16 469.3759 C27 H52 Cl N3 O + 751.4294@6.2809825 6.2809825 (752.4353, 1360.58)(753.4357, 992.5267)(754.43555, 3226.423)(755.44354, 1448.9135)(756.4433, 3470.08) 4 751.4294 751.4294@6.2809825 + C31 H66 Cl N4 O8 S 6.3086047 [ C31 H66 Cl N4 O8 S, mfg=72.28, overall=72.28 ] (690.4347, 9698.132)(691.4379, 4164.8286)(692.449, 13592.07)(693.45264, 4072.0786)(694.46466, 11607.113)(672.4209, 12615.455)(673.42456, 4524.5303)(674.4342, 6423.455)(675.4394, 3637.97)(707.4671, 1166.0)(712.4168, 2929.86)(713.42267, 1735.9784)(714.4314, 8132.3335)(715.4354, 4103.692)(716.44727, 22205.756)(717.4509, 13108.74)(718.4573, 10726.54) 27 689.4272 C31 H66 Cl N4 O8 S + C31 H58 Cl N5 O4 S 6.3136234 [ C31 H58 Cl N5 O4 S, mfg=83.71, overall=83.71 ] (632.3922, 17179.832)(633.3955, 6170.688)(634.40674, 8695.279)(635.4076, 2656.32)(654.3754, 4749.7935)(655.37885, 2040.5475)(656.3913, 3168.6511)(657.3919, 2102.76)(658.4067, 5401.09) 32 631.3852 C31 H58 Cl N5 O4 S + C30 H61 N9 O S3 6.3186526 [ C30 H61 N9 O S3, mfg=96.91, overall=96.91 ] (660.4231, 52521.21)(661.42554, 20375.791)(662.4206, 9368.856)(663.4231, 2941.0815)(682.40674, 17441.727)(683.4121, 7432.752)(684.4163, 5177.308)(685.4222, 2548.5168) 37 659.4163 C30 H61 N9 O S3 + 549.3423@6.3215413 6.3215413 (550.3498, 2062.363)(551.35, 1196.38)(552.3505, 1762.642)(553.3575, 754.4666) 13 549.3423 549.3423@6.3215413 + C35 H58 Cl N5 O4 6.3205924 [ C35 H58 Cl N5 O4, mfg=86.95, overall=86.95 ] (648.4219, 22676.637)(649.42523, 8451.593)(650.4323, 7653.009)(651.4404, 2445.1577)(670.40515, 6002.3735)(671.40814, 2722.5293)(672.42017, 5474.0938)(673.42377, 3154.3682) 35 647.415 C35 H58 Cl N5 O4 + C42 H65 S4 6.3302116 [ C42 H65 S4, mfg=65.29, overall=65.29 ] (698.40106, 11645.953)(699.40546, 5069.0625)(700.419, 3821.8103)(701.423, 1708.2)(715.4335, 727.78) 17 697.3935 C42 H65 S4 + C17 H31 N O4 6.330754 [ C17 H31 N O4, mfg=96.01, overall=96.01 ] (314.2323, 23388.959)(315.23553, 4912.9697)(316.2418, 1166.73)(336.2122, 872.87335) 37 313.225 C17 H31 N O4 + C24 H47 N O S2 6.335564 [ C24 H47 N O S2, mfg=85.44, overall=85.44 ] (430.3157, 4847.587)(431.31857, 1445.0953)(432.32047, 835.66254) 35 429.3089 C24 H47 N O S2 + C13 H22 N7 O4 6.3422008 [ C13 H22 N7 O4, mfg=97.90, overall=97.90 ] (341.18085, 2256.2717)(342.18274, 867.88556)(358.20682, 33516.016)(359.20932, 5904.2856)(360.21167, 1550.8375)(363.16223, 3355.328)(364.1657, 1162.91) 29 340.173 C13 H22 N7 O4 + 357.1994@6.3411026 6.3411026 (358.20673, 26198.512)(359.20914, 4672.0513)(360.21133, 1381.8763) 14 357.1994 357.1994@6.3411026 + 833.5774@6.353084 6.353084 (834.5848, 12401.236)(835.5886, 6151.9907)(836.6003, 19120.57)(837.6041, 9828.78)(851.6134, 640.82)(856.5681, 4205.8867)(857.57196, 1880.03)(858.5837, 3044.68)(859.586, 1150.14)(860.5955, 1262.63) 27 833.5774 833.5774@6.353084 + C33 H61 N3 O9 S 6.3415833 [ C33 H61 N3 O9 S, mfg=84.57, overall=84.57 ] (676.4183, 61414.66)(677.4218, 23535.268)(678.43146, 8210.688)(679.43976, 2126.0532)(680.4568, 3453.53)(698.4008, 19506.934)(699.40466, 7954.802)(700.41956, 6274.734)(701.42175, 729.225) 36 675.4111 C33 H61 N3 O9 S + N-palmitoyl glutamic acid 6.3549566 N-palmitoyl glutamic acid [ C21 H39 N O5, mfg=78.56, db=78.55, overall=78.55, Lipid ID=LMFA08020087, METLIN ID=75469 ] (793.554, 699.48)(386.28955, 3571.8596)(387.293, 1135.7815)(388.2969, 559.59) 17 385.2821 N-palmitoyl glutamic acid + LMFA08020087 835.5934@6.3548064 6.3548064 (836.6009, 23775.854)(837.6044, 11349.912)(838.60846, 3888.607)(839.61035, 1995.4)(858.5823, 15471.684)(859.5859, 17397.58)(860.5954, 7643.46) 24 835.5934 835.5934@6.3548064 + C13 H40 N14 O4 S 6.361031 [ C13 H40 N14 O4 S, mfg=93.60, overall=93.60 ] (489.31445, 11223.613)(490.3178, 1958.4509)(491.31076, 856.2644) 36 488.307 C13 H40 N14 O4 S + C30 H41 N7 O3 6.3628845 [ C30 H41 N7 O3, mfg=77.66, overall=77.66 ] (548.33405, 3970.4497)(549.3378, 1409.1364)(570.31775, 1290.3)(571.3218, 796.75)(572.3317, 687.37) 30 547.3268 C30 H41 N7 O3 + C36 H61 N2 O S3 6.358832 [ C36 H61 N2 O S3, mfg=81.63, overall=81.63 ] (634.405, 17356.045)(635.4072, 6419.9116)(636.3864, 4650.49)(637.3904, 748.42)(656.39014, 5508.9424)(657.3928, 2482.7524)(658.4035, 3024.87)(659.4085, 1274.87) 29 633.3991 C36 H61 N2 O S3 + C29 H55 N13 O3 S 6.3658266 [ C29 H55 N13 O3 S, mfg=96.68, overall=96.68 ] (666.4336, 79460.11)(667.4376, 31956.219)(668.4375, 9684.013)(669.43915, 2924.97)(670.4383, 993.735)(688.41705, 20794.084)(689.42035, 8800.16)(690.4301, 11216.747) 33 665.4262 C29 H55 N13 O3 S + C31 H64 Cl N O8 S 6.3690295 [ C31 H64 Cl N O8 S, mfg=70.13, overall=70.13 ] (646.4077, 33801.496)(647.411, 12380.899)(648.42163, 16553.459)(668.39136, 11648.569)(669.3976, 5119.923) 28 645.4003 C31 H64 Cl N O8 S + C29 H49 O2 S2 6.3737273 [ C29 H49 O2 S2, mfg=94.95, overall=94.95 ] (494.3239, 7248.2534)(495.32748, 2286.4438)(496.3257, 930.25916)(516.3058, 2659.2388)(517.3099, 1065.3234) 22 493.3165 C29 H49 O2 S2 + C24 H43 N8 6.3768415 [ C24 H43 N8, mfg=80.00, overall=80.00 ] (444.3677, 5124.428)(445.37115, 1665.4517)(466.3515, 902.46) 37 443.3604 C24 H43 N8 + 653.3909@6.3722744 6.3722744 (654.3977, 4206.7812)(655.4008, 1789.5468)(656.3944, 2180.034)(657.3954, 2853.92) 13 653.3909 653.3909@6.3722744 + C7 H8 N2 O 6.3760076 [ C7 H8 N2 O, mfg=99.03, overall=99.03 ] (137.0708, 180072.78)(138.07426, 14733.854)(139.08212, 1429.5919) 37 136.0635 C7 H8 N2 O + C24 H41 N8 6.3800397 [ C24 H41 N8, mfg=80.38, overall=80.38 ] (442.35184, 7303.2715)(443.35495, 2306.5867) 36 441.3446 C24 H41 N8 + 679.4426@6.3809533 6.3809533 (680.44885, 21086.691)(681.45355, 7964.7437)(682.4445, 2755.1292)(683.44165, 599.60004)(702.4315, 8346.04)(703.43585, 4813.7134)(704.4398, 11613.15) 17 679.4426 679.4426@6.3809533 + 4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol 6.386847 C13693 4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol [ C6 H8 N2 O2, mfg=92.09, db=92.09, overall=92.09, CAS ID=64603-91-4, KEGG ID=C13693, METLIN ID=69640 ] 64603-91-4 (141.06572, 27302.037)(142.0689, 2325.4983)(143.07985, 770.77)(123.05523, 5258.2705)(124.0561, 893.19)(158.09344, 1587.38)(163.04909, 1359.9944) 36 140.0585 4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol + C36 H45 N11 6.3836107 [ C36 H45 N11, mfg=73.73, overall=73.73 ] (632.3938, 5029.263)(633.39685, 2020.4504) 15 631.3864 C36 H45 N11 + PD 173074 6.382411 PD 173074 [ C28 H41 N7 O3, mfg=77.04, db=77.04, overall=77.04, CAS ID=219580-11-7, METLIN ID=45433 ] 219580-11-7 (524.3357, 3001.8376)(525.3378, 1049.7223)(526.3402, 576.17)(546.3176, 1715.09) 18 523.3274 PD 173074 + 311.2095@6.39893 6.39893 (312.21683, 3638.2239)(313.22083, 989.32544) 15 311.2095 311.2095@6.39893 + 707.4034@6.3928003 6.3928003 (708.41016, 3770.6084)(709.41315, 1426.5132)(710.41516, 1815.57)(690.3964, 943.8) 9 707.4034 707.4034@6.3928003 + C34 H67 N3 O4 S3 6.39223 [ C34 H67 N3 O4 S3, mfg=83.70, overall=83.70 ] (678.43414, 38192.652)(679.4378, 13738.092)(680.44794, 9214.393)(681.4484, 793.61255)(700.41797, 5625.931)(701.42126, 2603.5085) 33 677.4266 C34 H67 N3 O4 S3 + C34 H49 N7 O4 6.3936076 [ C34 H49 N7 O4, mfg=74.88, overall=74.88 ] (620.3918, 33491.71)(621.3953, 11889.014)(637.42084, 2525.245)(642.37445, 7114.5737)(643.3778, 3027.0403) 28 619.3845 C34 H49 N7 O4 + C7 H11 N O 6.397373 [ C7 H11 N O, mfg=95.49, overall=95.49 ] (126.091, 18068.852)(127.09155, 1745.5648)(128.08086, 1820.0634)(143.11781, 46951.734)(144.11969, 4463.4434)(145.12927, 897.4775) 25 125.0839 C7 H11 N O + 2''-O-Methyladenosine 6.399857 C04779 2''-O-Methyladenosine [ C11 H15 N5 O4, mfg=98.07, db=98.07, overall=98.07, CAS ID=2140-79-6, KEGG ID=C04779, HMP ID=HMDB04326, METLIN ID=58235 ] 2140-79-6 (282.11945, 33488.164)(283.12296, 4977.097)(284.12506, 985.47314)(304.1012, 1184.6975) 37 281.1122 2''-O-Methyladenosine HMDB04326 + 664.4146@6.403508 6.403508 (665.42163, 11977.119) 2 664.4146 664.4146@6.403508 + 807.5627@6.3825874 6.3825874 (808.57324, 52354.188)(809.5767, 24324.523)(810.5847, 7992.098)(811.5899, 1988.1766)(812.6008, 1102.8633)(813.5799, 261.04)(830.552, 12014.1875)(831.5556, 7198.143)(832.5667, 9268.659) 36 807.5627 807.5627@6.3825874 + 19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol 6.4168506 19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol [ C25 H42 O5, mfg=47.38, db=66.24, overall=56.81, METLIN ID=53639 ] (440.33673, 3498.0972)(441.33902, 1386.2484) 21 439.3295 19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol + C16 H35 N O10 6.420767 [ C16 H35 N O10, mfg=96.94, overall=96.94 ] (803.456, 640.81)(820.4845, 771.8)(402.2328, 17543.482)(403.23648, 3574.0073)(404.24005, 1007.225) 36 401.2255 C16 H35 N O10 + 661.3968@6.4051466 6.4051466 (662.4046, 9553.181)(663.4081, 3338.9573)(664.4212, 9078.78)(644.3903, 1568.01)(645.3952, 1048.54)(684.3877, 1384.2833)(685.3967, 1172.41) 18 661.3968 661.3968@6.4051466 + C19 H51 N22 S2 6.4190135 [ C19 H51 N22 S2, mfg=94.68, overall=47.34 ] (652.4185, 20552.674)(653.41925, 7664.8335)(654.41736, 3331.1316)(655.4212, 916.25)(674.4023, 6725.5225)(675.4104, 2901.5833) 22 651.411 C19 H51 N22 S2 + 2-Hydroxyfelbamate 6.4073725 C16582 2-Hydroxyfelbamate [ C11 H14 N2 O5, db=31.17, overall=31.17, CAS ID=109482-32-8, KEGG ID=C16582, METLIN ID=2655 ] 109482-32-8 (255.0979, 3285.9272)(256.10147, 1032.2776)(257.09537, 3188.9402)(258.0954, 790.92) 32 254.0903 2-Hydroxyfelbamate + Fibrin 6.433407 C00290 Fibrin [ C5 H11 N3 O2, mfg=92.15, db=92.15, overall=92.15, CAS ID=9001-31-4, KEGG ID=C00290, METLIN ID=65513 ] 9001-31-4 (146.09233, 55222.906)(147.09546, 4145.4155)(148.0968, 2837.325)(128.08, 2269.28)(168.0743, 1685.9941) 37 145.0851 Fibrin + 659.3791@6.4306164 6.4306164 (660.3865, 2877.3274)(661.39606, 1425.1434) 4 659.3791 659.3791@6.4306164 + C29 H55 N3 O8 S 6.435219 [ C29 H55 N3 O8 S, mfg=86.71, overall=86.71 ] (606.3763, 40235.188)(607.3795, 14033.944)(608.3903, 5704.08)(628.35944, 8634.8125)(629.3631, 3257.653)(630.3759, 1251.13) 37 605.3689 C29 H55 N3 O8 S + 797.4334@6.438 6.438 (798.4463, 586.68)(780.4299, 3261.6)(781.433, 1414.12)(782.4395, 823.29) 1 797.4334 797.4334@6.438 + 717.4249@6.439 6.439 (718.4322, 1706.38)(719.4347, 850.12) 1 717.4249 717.4249@6.439 + 147.1258@6.447583 6.447583 (148.13306, 5206.1743)(149.13593, 773.425) 10 147.1258 147.1258@6.447583 + C35 H57 O9 6.4357815 [ C35 H57 O9, mfg=98.01, overall=98.01 ] (622.4073, 80418.93)(623.4111, 28455.256)(624.4133, 6713.07)(625.4167, 2007.6367)(626.41675, 243.9825)(644.38983, 15905.265)(645.3938, 6492.694)(646.4028, 3801.1982) 37 621.4 C35 H57 O9 + C24 H49 N S2 6.453041 [ C24 H49 N S2, mfg=86.88, overall=86.88 ] (416.3364, 6043.3574)(417.3397, 1739.3856)(418.34143, 938.32) 35 415.3289 C24 H49 N S2 + C22 H37 N8 6.4558296 [ C22 H37 N8, mfg=83.27, overall=83.27 ] (414.32077, 7850.479)(415.3244, 2063.4978)(436.2998, 877.25) 14 413.3131 C22 H37 N8 + 835.5934@6.4524255 6.4524255 (836.6005, 20305.678)(837.60394, 10168.673)(838.60724, 3706.786)(839.6094, 1408.335)(840.6323, 103.15)(858.58527, 4156.48)(859.5859, 3968.79) 13 835.5934 835.5934@6.4524255 + C30 H51 O3 S2 + 6.459119 6.459119 [ C30 H51 O3 S2, mfg=86.94, overall=86.94 ] (524.3353, 3206.0317)(525.33704, 1129.9717)(526.3383, 697.65)(546.31866, 1025.1) 20 523.3277 C30 H51 O3 S2 + 6.459119 + 131.1308@6.462798 6.462798 (132.13799, 4256.62)(133.1398, 837.0) 4 131.1308 131.1308@6.462798 + C15 H29 N O4 6.4668684 [ C15 H29 N O4, mfg=93.49, overall=93.49 ] (288.2167, 14492.684)(289.21994, 2749.1975)(290.22195, 994.3333)(310.20172, 1774.2966)(311.2055, 1808.85) 36 287.2094 C15 H29 N O4 + 401.2769@6.468075 6.468075 (402.28387, 2714.6262)(403.28717, 854.0875)(384.2758, 1025.59) 8 401.2769 401.2769@6.468075 + 306.115@6.4683075 6.4683075 (307.12247, 2518.9387)(308.127, 942.29504) 9 306.115 306.115@6.4683075 + 603.3537@6.488152 6.488152 (604.36127, 2306.1099)(605.3643, 944.55145)(586.3454, 1000.18)(626.3454, 1657.94)(627.3489, 809.14) 13 603.3537 603.3537@6.488152 + C31 H59 N3 O9 S 6.4702754 [ C31 H59 N3 O9 S, mfg=92.68, overall=92.68 ] (650.4033, 56268.492)(651.40686, 20565.658)(652.4123, 6881.4575)(653.4154, 1934.2285)(672.3873, 11168.713)(673.3925, 3985.417)(674.4033, 3391.27)(675.4087, 597.96) 35 649.3959 C31 H59 N3 O9 S + C13 H3 O12 S5 6.477295 [ C13 H3 O12 S5, mfg=82.83, overall=82.83 ] (511.82907, 5690.367)(512.83185, 848.79315)(513.8223, 1139.7849) 33 510.8218 C13 H3 O12 S5 + C31 H61 N3 O4 S3 6.4804225 [ C31 H61 N3 O4 S3, mfg=86.64, overall=86.64 ] (636.3876, 63129.418)(637.39087, 21673.201)(638.3984, 10725.811)(639.40125, 2998.8152)(640.4039, 2588.1)(618.3763, 6740.12)(619.37994, 2421.728)(653.4124, 2080.29)(658.3711, 8331.251)(659.3774, 3675.608)(660.38477, 4366.936)(661.39435, 593.4167) 31 635.38 C31 H61 N3 O4 S3 + 511.3239@6.486 6.486 (512.3312, 2118.17) 1 511.3239 511.3239@6.486 + C18 H39 N O11 6.4979186 [ C18 H39 N O11, mfg=95.62, overall=95.62 ] (908.5293, 685.58)(446.25925, 14496.716)(447.26425, 3132.7415)(448.26688, 901.48676) 37 445.2519 C18 H39 N O11 + DL-2-amino-octanoic acid + 6.4934916 6.4934916 DL-2-amino-octanoic acid [ C8 H17 N O2, mfg=80.39, db=80.38, overall=80.39, Lipid ID=LMFA01100056, HMP ID=HMDB00991, METLIN ID=74884 ] (160.13301, 35895.434)(161.13489, 3866.6301)(162.12929, 1707.4313)(142.1218, 1235.06) 27 159.1257 DL-2-amino-octanoic acid + 6.4934916 HMDB00991 + LMFA01100056 807.5627@6.4858313 6.4858313 (808.5707, 58665.6)(809.57385, 27903.488)(810.5822, 8134.3496)(811.5867, 1736.9761)(812.5952, 1063.1072)(830.55176, 15515.004)(831.55524, 10816.263)(832.5642, 6264.812)(833.5681, 1066.04) 34 807.5627 807.5627@6.4858313 + C34 H55 O9 6.495264 [ C34 H55 O9, mfg=98.88, overall=98.88 ] (608.3919, 67725.03)(609.3948, 24331.074)(610.3973, 6404.1514)(611.4002, 1148.5806)(630.3739, 12630.664)(631.38025, 4930.81)(632.3858, 2089.2764)(633.3884, 684.57) 37 607.3848 C34 H55 O9 + C33 H53 O9 6.5065126 [ C33 H53 O9, mfg=97.64, overall=97.64 ] (594.3765, 154386.28)(595.3794, 50581.11)(596.38196, 12103.323)(597.3848, 2602.2168)(598.3848, 565.10333)(616.35834, 19387.416)(617.36615, 9031.904)(618.37366, 11143.397)(619.3789, 2725.074) 36 593.369 C33 H53 O9 + 657.3973@6.4957185 6.4957185 (658.4036, 2583.6658)(659.40656, 1064.3383) 7 657.3973 657.3973@6.4957185 + 745.449@6.5826335 6.5826335 (746.45746, 4273.82)(747.46136, 1508.56)(748.4437, 1695.08)(768.4453, 1876.67)(769.4424, 980.11)(770.4259, 1299.39) 4 745.449 745.449@6.5826335 + N-palmitoyl glutamic acid + 6.5176063 6.5176063 N-palmitoyl glutamic acid [ C21 H39 N O5, mfg=71.51, db=71.30, overall=71.41, Lipid ID=LMFA08020087, METLIN ID=75469 ] (386.28934, 6445.7188)(387.29288, 2086.8298)(408.269, 1330.75) 27 385.2819 N-palmitoyl glutamic acid + 6.5176063 + LMFA08020087 665.4479@6.506688 6.506688 (666.4585, 8908.232)(667.46954, 3689.3113)(668.45654, 1781.855)(669.44, 749.66)(688.4507, 1351.51) 8 665.4479 665.4479@6.506688 + C34 H43 N11 6.5111055 [ C34 H43 N11, mfg=75.45, overall=75.45 ] (606.37695, 21762.36)(607.3802, 8417.62)(628.3609, 8484.457)(629.3646, 3210.0562) 19 605.3696 C34 H43 N11 + C12 H34 Cl N8 O2 6.5176954 [ C12 H34 Cl N8 O2, mfg=76.22, overall=76.22 ] (358.25735, 3851.843)(359.2589, 1189.02)(360.2527, 1401.02) 20 357.251 C12 H34 Cl N8 O2 + Corey PG-Lactone Diol 6.5342627 Corey PG-Lactone Diol [ C15 H24 O4, mfg=47.54, db=66.57, overall=57.05, METLIN ID=63037 ] (286.20114, 6097.6333)(287.20428, 1308.3354)(288.212, 1032.93) 20 285.1939 Corey PG-Lactone Diol + 753.4422@6.5427628 6.5427628 (754.4495, 4118.0483)(755.4529, 2108.003)(756.4485, 1347.9224)(757.45135, 513.455)(776.4321, 1087.735) 15 753.4422 753.4422@6.5427628 + C14 H12 N2 O3 6.5384355 [ C14 H12 N2 O3, mfg=98.50, overall=49.25 ] (257.09232, 70827.266)(258.09537, 12406.494)(259.09863, 2439.9856)(260.1025, 302.2)(279.07437, 15976.967)(280.07755, 3427.0222)(281.0803, 964.4686) 36 256.0849 C14 H12 N2 O3 + C22 H45 N S2 6.549738 [ C22 H45 N S2, mfg=85.89, overall=85.89 ] (388.30515, 5167.8887)(389.3081, 1535.3529)(390.3087, 787.26)(410.2874, 820.654) 25 387.2977 C22 H45 N S2 + C35 H43 N8 O 6.5421195 [ C35 H43 N8 O, mfg=65.77, overall=65.77 ] (592.3617, 5614.5024)(593.37103, 2302.438)(614.3443, 1516.21)(615.3588, 1294.63) 14 591.3538 C35 H43 N8 O + 672.5208@6.550808 6.550808 (673.5275, 1868.2836)(674.5303, 921.59454)(695.5072, 1231.54)(696.5088, 853.28) 12 672.5208 672.5208@6.550808 + 767.4581@6.5532007 6.5532007 (768.465, 6928.5986)(769.4688, 3119.1162)(770.46704, 1088.67)(771.4685, 557.37744)(790.4502, 2615.2966)(791.4571, 1329.83)(792.4696, 2046.41) 25 767.4581 767.4581@6.5532007 + 2S-amino-tridecanoic acid + 6.56059 6.56059 C13795 2S-amino-tridecanoic acid [ C13 H27 N O2, mfg=80.95, db=80.91, overall=80.93, KEGG ID=C13795, METLIN ID=35920 ] (230.2115, 5333.666)(231.21451, 1057.0912) 35 229.2041 2S-amino-tridecanoic acid + 6.56059 + C32 H51 O9 6.5645175 [ C32 H51 O9, mfg=97.12, overall=97.12 ] (580.3608, 214566.47)(581.364, 66389.22)(582.36676, 14761.558)(583.3692, 3137.9033)(584.36884, 622.3373)(597.3847, 1333.01)(602.3429, 26804.816)(603.34576, 12615.65)(604.3566, 5608.001)(605.3626, 1086.8414) 37 579.3533 C32 H51 O9 + C20 H43 N O12 6.578112 [ C20 H43 N O12, mfg=89.88, overall=89.88 ] (490.28543, 11569.917)(491.29175, 2930.274)(492.29376, 909.7808) 37 489.2783 C20 H43 N O12 + 385.2819@6.574148 6.574148 (386.28918, 3280.1436)(387.2923, 1032.6628) 9 385.2819 385.2819@6.574148 + 717.4215@6.706364 6.706364 (718.429, 4101.1636)(719.4346, 1847.9299)(720.44336, 4747.1416)(721.44824, 1568.75) 8 717.4215 717.4215@6.706364 + Indospicine 6.5858164 C08288 Indospicine [ C7 H15 N3 O2, mfg=82.05, db=82.05, overall=82.05, CAS ID=16377-00-7, KEGG ID=C08288, METLIN ID=3299 ] 16377-00-7 (174.12354, 49616.324)(175.12878, 6860.507)(176.12978, 2354.5635)(196.1048, 1072.02) 34 173.1162 Indospicine + C15 H44 N14 O5 S 6.5903974 [ C15 H44 N14 O5 S, mfg=91.47, overall=91.47 ] (533.3406, 10447.501)(534.3419, 2235.6267)(535.33514, 945.695) 36 532.3334 C15 H44 N14 O5 S + C43 H74 N O6 6.579207 [ C43 H74 N O6, mfg=88.92, overall=88.92 ] (701.55865, 38315.383)(702.5623, 16636.273)(703.5734, 5072.11)(723.5372, 1715.21) 37 700.5517 C43 H74 N O6 + 130.1103@6.589767 6.589767 (131.11752, 10114.726) 7 130.1103 130.1103@6.589767 + C18 H N2 O8 S5 6.5910997 [ C18 H N2 O8 S5, mfg=69.97, overall=69.97 ] (533.8423, 5701.28)(534.844, 849.4105)(535.8308, 792.18) 33 532.8351 C18 H N2 O8 S5 + 551.3944@6.5830207 6.5830207 (552.4015, 12259.452)(553.40424, 3968.8494)(554.40717, 1080.9814)(555.409, 215.28)(574.3839, 1738.065) 27 551.3944 551.3944@6.5830207 + C35 H57 O10 6.6000133 [ C35 H57 O10, mfg=97.96, overall=97.96 ] (638.4033, 65798.9)(639.4066, 24421.875)(640.40814, 6110.981)(641.4111, 1742.4739)(642.41406, 334.34)(660.3861, 7477.5674)(661.3922, 4035.665)(662.4039, 2667.715)(663.4059, 582.2133) 35 637.3959 C35 H57 O10 + C35 H49 N2 O6 S2 6.5999327 [ C35 H49 N2 O6 S2, mfg=81.98, overall=81.98 ] (658.30927, 4155.389)(659.31256, 1665.573)(660.31934, 1001.48773) 21 657.3018 C35 H49 N2 O6 S2 + 231.0095@6.603 6.603 (232.0167, 1250.62) 1 231.0095 231.0095@6.603 + C25 H54 Cl N8 O S 6.601866 [ C25 H54 Cl N8 O S, mfg=84.06, overall=84.06 ] (550.386, 17169.068)(551.389, 5707.521)(552.401, 7644.8154)(553.4052, 2579.9802)(554.4068, 464.7)(572.3681, 6219.6265)(573.3682, 2572.6182)(574.3821, 2843.7988)(575.38654, 1587.025) 37 549.3788 C25 H54 Cl N8 O S + C28 H51 N6 S3 6.6025877 [ C28 H51 N6 S3, mfg=87.27, overall=87.27 ] (1157.6527, 6884.4478)(1158.6566, 5863.742)(1159.6622, 4075.99)(1160.6671, 2311.91)(568.33954, 507990.34)(569.34296, 173620.94)(570.35175, 79087.664)(571.35657, 23487.143)(585.3639, 931.04)(590.32135, 74400.22)(591.3249, 26097.814)(592.3345, 17214.197)(593.3391, 7914.205) 35 567.3322 C28 H51 N6 S3 + 689.239@6.658449 6.658449 (690.2471, 1546.0524)(691.2497, 887.6658) 12 689.239 689.239@6.658449 + C26 H55 N O6 S4 6.6105423 [ C26 H55 N O6 S4, mfg=71.96, overall=71.96 ] (606.29565, 9281.904)(607.29895, 3346.4421)(608.3059, 2208.393)(609.3109, 1876.555) 15 605.288 C26 H55 N O6 S4 + C28 H47 N15 S 6.608155 [ C28 H47 N15 S, mfg=95.36, overall=95.36 ] (626.39307, 10704.932)(627.3967, 4236.6177)(628.3971, 1315.6776)(629.3746, 526.13) 19 625.3854 C28 H47 N15 S + 223.1065@6.6072083 6.6072083 (224.11296, 3582.923)(225.11661, 888.505)(246.09479, 2047.67) 3 223.1065 223.1065@6.6072083 + C37 H58 N6 O S4 6.6175103 [ C37 H58 N6 O S4, mfg=75.22, overall=75.22 ] (731.36194, 7262.8296)(732.3662, 3266.539)(733.374, 2095.2344)(734.3797, 1092.435) 10 730.3541 C37 H58 N6 O S4 + C39 H65 O8 S2 6.610252 [ C39 H65 O8 S2, mfg=92.34, overall=92.34 ] (726.4188, 9960.268)(727.4228, 4223.4175)(728.42267, 2129.9602)(708.4142, 1020.07)(743.4428, 1377.78)(748.4038, 2717.77) 25 725.4115 C39 H65 O8 S2 + 549.3196@6.60588 6.60588 (550.3286, 2032.408)(551.3394, 1341.788)(552.3321, 1188.9967)(553.3332, 704.56)(554.3385, 418.76) 5 549.3196 549.3196@6.60588 + 381.2525@6.6175404 6.6175404 (382.25906, 1623.2167)(383.26163, 749.88007) 6 381.2525 381.2525@6.6175404 + 731.437@6.643628 6.643628 (732.44434, 7320.36)(733.44763, 3222.6614)(734.4495, 1395.52)(735.4246, 408.44)(754.4295, 3089.0898)(755.43097, 1623.655)(756.4349, 1457.81)(757.4348, 658.73)(758.4244, 1675.02) 8 731.437 731.437@6.643628 + C35 H53 O4 S2 6.6719837 [ C35 H53 O4 S2, mfg=88.16, overall=88.16 ] (602.34485, 9130.756)(603.3479, 3285.4624)(604.3506, 1806.4772)(619.3695, 1687.44) 24 601.3401 C35 H53 O4 S2 + 1132.6462@6.679582 6.679582 (1133.6531, 14042.687)(1134.657, 9655.254)(1135.6667, 9756.326)(1136.6724, 6203.25)(1137.6844, 6689.7134)(1138.6847, 4190.49)(1139.6976, 5167.57) 16 1132.6462 1132.6462@6.679582 + C9 H7 O S 6.65637 [ C9 H7 O S, mfg=78.59, overall=78.59 ] (164.02927, 7911.9097)(165.03267, 893.1918) 31 163.0219 C9 H7 O S + 304.0617@6.6423573 6.6423573 (305.06934, 2927.4028)(306.0729, 1029.82) 7 304.0617 304.0617@6.6423573 + 101.0477@6.64677 6.64677 (220.12735, 641.81995)(102.05532, 9097.06)(103.05773, 927.31665)(84.0441, 1039.73) 7 101.0477 101.0477@6.64677 + L-Threonine 6.673125 C00188 L-Threonine [ C4 H9 N O3, mfg=47.06, db=47.06, overall=47.06, CAS ID=72-19-5, KEGG ID=C00188, HMP ID=HMDB00167, METLIN ID=32 ] 72-19-5 (120.06523, 34184.45)(102.05549, 6144.0566)(103.057396, 908.48663)(142.0478, 1657.7744) 37 119.058 L-Threonine HMDB00167 + LysoPE(0:0/22:0) 6.621859 LysoPE(0:0/22:0) [ C27 H56 N O7 P, db=94.14, overall=47.07, HMP ID=HMDB11490, METLIN ID=62278 ] (538.3862, 14323.796)(539.38934, 4564.568)(540.39154, 1274.9604)(541.3917, 673.23)(560.3674, 5261.8833)(561.3705, 2138.9119)(562.3729, 1875.38) 37 537.379 LysoPE(0:0/22:0) HMDB11490 + C41 H80 Cl2 O5 6.636862 [ C41 H80 Cl2 O5, mfg=56.32, overall=56.32 ] (723.5402, 9213.655)(724.54315, 4335.754)(725.55414, 9483.356)(726.559, 4483.35)(727.5649, 1094.68) 32 722.5332 C41 H80 Cl2 O5 + 645.3952@6.63152 6.63152 (646.404, 2433.7)(647.40894, 942.48)(648.3862, 833.69) 3 645.3952 645.3952@6.63152 + 706.3543@6.665628 6.665628 (707.36237, 9379.825)(708.3657, 4293.556)(709.377, 5160.727)(710.3848, 2483.5718)(711.3959, 3315.07) 23 706.3543 706.3543@6.665628 + C29 H55 N5 S5 6.6419826 [ C29 H55 N5 S5, mfg=76.61, overall=76.61 ] (634.3102, 3802.5515)(635.31384, 1432.1904)(636.3243, 1266.8134) 25 633.302 C29 H55 N5 S5 + 781.5591@6.644777 6.644777 (782.56604, 3292.2063)(783.5687, 1756.776)(784.5794, 1508.2999) 5 781.5591 781.5591@6.644777 + 747.3969@6.627762 6.627762 (748.40796, 6016.9697)(749.4123, 2629.3052) 2 747.3969 747.3969@6.627762 + 650.2908@6.6315656 6.6315656 (651.2992, 2233.8613)(652.30365, 1033.9983)(653.3065, 726.05) 7 650.2908 650.2908@6.6315656 + 1108.6462@6.6316924 6.6316924 (1109.653, 3378.6367)(1110.6565, 2370.8057)(1111.6663, 2270.6824)(1112.6725, 1207.545) 9 1108.6462 1108.6462@6.6316924 + C42 H76 N O S2 6.6252046 [ C42 H76 N O S2, mfg=86.78, overall=86.78 ] (675.5428, 3996.4966)(676.5461, 1842.2643)(677.54974, 962.1683)(697.5243, 2123.9966)(698.5284, 1340.515)(699.5311, 752.81) 29 674.5356 C42 H76 N O S2 + C31 H61 N4 O S3 6.632845 [ C31 H61 N4 O S3, mfg=82.98, overall=82.98 ] (602.397, 22893.426)(603.4001, 8437.067)(604.4158, 9251.184)(605.4156, 6173.52)(624.3882, 8311.38)(625.3914, 2631.82)(626.3936, 1990.04)(627.4021, 843.84) 17 601.3858 C31 H61 N4 O S3 + C20 H45 N12 O3 S2 6.6435504 [ C20 H45 N12 O3 S2, mfg=83.81, overall=83.81 ] (566.3237, 69040.65)(567.3267, 21965.467)(568.3368, 9692.08)(569.3414, 2561.33)(570.352, 3554.19) 19 565.3144 C20 H45 N12 O3 S2 + 1112.6746@6.635087 6.635087 (1113.6827, 3408.814)(1114.6863, 2170.8198)(1115.6958, 2148.35)(1116.6969, 674.59) 5 1112.6746 1112.6746@6.635087 + C35 H40 Cl N5 O 6.6365795 [ C35 H40 Cl N5 O, mfg=75.45, overall=37.73 ] (582.2959, 10785.354)(583.29956, 3893.4375)(584.31, 4417.1475)(585.31335, 1605.6761)(586.3245, 1084.11) 32 581.2879 C35 H40 Cl N5 O + 1111.6644@6.6977015 6.6977015 (1112.6755, 9176.277)(1113.6841, 4545.6333)(1114.686, 2413.5066) 10 1111.6644 1111.6644@6.6977015 + 757.4516@6.590354 6.590354 (758.45325, 2149.5627)(759.4622, 1118.2433)(760.4662, 1259.0349)(761.4721, 351.8)(740.4338, 7000.58)(741.4373, 3139.21)(742.438, 1366.42) 7 757.4516 757.4516@6.590354 + C30 H45 N7 O2 6.6364036 [ C30 H45 N7 O2, mfg=76.76, overall=38.38 ] (536.3706, 3861.3003)(537.3726, 1430.3787)(558.3491, 1353.0568)(559.3584, 473.84) 31 535.3632 C30 H45 N7 O2 + C8 H15 N3 O3 6.648398 [ C8 H15 N3 O3, mfg=91.64, overall=91.64 ] (202.11891, 15329.328)(203.12202, 1876.9719)(204.12411, 876.4926)(184.10625, 1025.005)(219.1426, 762.27) 22 201.1115 C8 H15 N3 O3 + 708.3716@6.6435385 6.6435385 (709.3808, 3447.54)(710.38245, 1514.0701)(711.3894, 941.61) 2 708.3716 708.3716@6.6435385 + 584.3088@6.639361 6.639361 (585.31366, 2422.3)(586.3231, 2023.9451)(602.3427, 7537.97)(603.3462, 2358.93)(604.3507, 1431.2) 3 584.3088 584.3088@6.639361 + 761.4131@6.644644 6.644644 (762.4227, 5411.7397)(763.42334, 2433.2012)(764.4324, 1203.55)(765.4436, 889.82)(766.4461, 729.78)(744.4033, 1404.57)(779.45135, 1174.2999)(780.4521, 1133.59)(781.4433, 1682.77) 8 761.4131 761.4131@6.644644 + 826.996@6.6420746 6.6420746 (828.00336, 4236.627)(829.0101, 3812.6865)(830.0114, 1720.5367)(831.0183, 693.55) 3 826.996 826.996@6.6420746 + 702.3598@6.6438975 6.6438975 (703.3673, 5246.7344)(704.3693, 2446.8926)(705.3742, 2990.6465)(706.376, 1492.1274) 13 702.3598 702.3598@6.6438975 + Batrachotoxin 6.643933 C13750 Batrachotoxin [ C31 H42 N2 O6, mfg=47.42, db=50.80, overall=49.11, CAS ID=23509-16-2, KEGG ID=C13750, METLIN ID=69681 ] 23509-16-2 (1111.6648, 1749.6367)(556.33844, 5543.843)(557.3445, 3369.8147)(558.3507, 2086.659) 18 555.3308 Batrachotoxin + C31 H41 N7 O2 6.6380563 [ C31 H41 N7 O2, mfg=77.43, overall=77.43 ] (1087.668, 5007.666)(1088.6721, 3805.2827)(1089.6838, 10975.819)(1090.6875, 6492.6265)(1091.6974, 4890.547)(1092.7023, 2134.292)(1093.711, 1139.3301)(1109.654, 12673.019)(1110.6567, 11911.99)(1111.6659, 11151.675)(1112.6716, 5169.67)(1113.6836, 353.21)(544.3391, 842013.5)(545.3426, 259529.83)(546.3537, 546356.8)(547.3572, 155511.97)(548.3674, 60503.543)(549.3725, 16814.65)(566.3216, 254141.14)(567.3249, 80361.266) 32 543.3321 C31 H41 N7 O2 + (2-Chlorophenyl)diphenylmethane 6.6523366 (2-Chlorophenyl)diphenylmethane [ C19 H15 Cl, mfg=42.45, db=54.38, overall=48.42, CAS ID=56153-60-7, METLIN ID=1898 ] 56153-60-7 (301.0742, 6509.6587)(302.0778, 2165.2334) 12 300.067 (2-Chlorophenyl)diphenylmethane + 843.6467@6.6297626 6.6297626 (844.6538, 1281.4601)(845.659, 886.5833)(846.6676, 1676.365)(847.6727, 417.97) 3 843.6467 843.6467@6.6297626 + C36 H53 N5 O3 6.641034 [ C36 H53 N5 O3, mfg=71.19, overall=71.19 ] (604.4215, 5739.375)(605.427, 2067.6082) 20 603.4115 C36 H53 N5 O3 + 1088.6764@6.644992 6.644992 (1089.6832, 5255.2207)(1090.6876, 3177.4946)(1091.6973, 2888.0068)(1092.7034, 3419.8298)(1093.7085, 3370.42)(1094.7164, 1475.91) 9 1088.6764 1088.6764@6.644992 + C44 H65 S3 6.6406207 [ C44 H65 S3, mfg=92.37, overall=92.37 ] (690.4321, 9791.72)(691.43726, 4682.888)(692.42926, 2462.955)(693.4419, 477.91998)(707.4623, 1635.505)(712.4156, 3954.947)(713.4209, 1922.97)(714.41235, 1342.9225) 12 689.4264 C44 H65 S3 + C30 H60 Cl N4 O11 6.6525793 [ C30 H60 Cl N4 O11, mfg=76.36, overall=76.36 ] (688.4001, 5970.1323)(689.4056, 1817.2561)(690.4034, 1885.4075)(670.393, 6041.0034)(671.3958, 2499.7234)(672.3913, 4286.2397)(710.3799, 3397.52)(711.3896, 2970.0)(712.3966, 1352.18) 10 687.3955 C30 H60 Cl N4 O11 + 555.8315@6.64319 6.64319 (1112.6724, 1740.7666)(1113.6812, 1882.66)(1114.6829, 1177.22)(556.8393, 3771.5525)(557.8463, 2069.8555)(558.8518, 972.3033) 12 555.8315 555.8315@6.64319 + 807.5745@6.648491 6.648491 (808.581, 4126.1025)(809.58435, 1732.9448)(810.59674, 5759.4155)(811.6007, 2906.6772)(812.60944, 665.8646) 17 807.5745 807.5745@6.648491 + C20 H52 N19 O4 S2 6.695815 [ C20 H52 N19 O4 S2, mfg=79.04, overall=79.04 ] (687.39343, 9480.317)(688.40063, 2585.1233)(689.4088, 1270.0919) 34 686.3859 C20 H52 N19 O4 S2 + C35 H67 Cl2 O3 6.647053 [ C35 H67 Cl2 O3, mfg=42.14, overall=42.14 ] (606.4487, 9836.97)(607.4519, 3596.7366)(608.46356, 9025.301)(609.4669, 3992.608)(610.46515, 4577.143)(628.4285, 3357.6711)(629.43335, 1370.3131)(630.4457, 3231.4473)(631.4482, 1122.7534)(632.45715, 717.38) 37 605.4413 C35 H67 Cl2 O3 + 635.3181@6.640159 6.640159 (636.32446, 2050.775)(637.3268, 1510.63)(653.3521, 2344.55)(654.3478, 1331.28) 2 635.3181 635.3181@6.640159 + 817.0117@6.7273498 6.7273498 (1635.0262, 1640.93)(818.01904, 15603.47)(819.0241, 8986.948)(820.03064, 3419.6516)(821.03455, 1265.2173) 35 817.0117 817.0117@6.7273498 + 918.5296@6.647 6.647 (919.5369, 540.24)(920.552, 641.47)(921.5531, 846.95) 1 918.5296 918.5296@6.647 + 740.5257@6.656862 6.656862 (741.53394, 1708.8562)(742.5431, 911.14856)(758.5682, 1245.41)(759.5711, 355.02) 8 740.5257 740.5257@6.656862 + C35 H43 N11 O 6.616723 [ C35 H43 N11 O, mfg=60.89, overall=60.89 ] (634.3717, 5849.413)(635.37744, 2233.1975)(636.38745, 13125.07)(637.3908, 4544.485)(616.3607, 2378.47)(617.3683, 1199.32)(656.3565, 1462.3225)(657.3517, 1328.755)(658.3724, 5611.12) 20 633.3645 C35 H43 N11 O + 885.5269@6.7010765 6.7010765 (886.5348, 2583.5925)(887.5341, 1409.3351)(888.54974, 1261.0566)(868.5256, 722.89)(869.5345, 763.8)(870.5475, 626.66)(908.524, 1719.78)(909.5304, 1047.62)(910.5339, 1576.33) 4 885.5269 885.5269@6.7010765 + 782.6289@6.725286 6.725286 (783.6362, 1429.6934)(784.638, 1011.06995)(785.651, 1260.73) 6 782.6289 782.6289@6.725286 + D-Proline + 6.653455 6.653455 C00763 D-Proline [ C5 H9 N O2, mfg=87.57, db=87.57, overall=87.57, CAS ID=344-25-2, KEGG ID=C00763, HMP ID=HMDB03411, METLIN ID=58150 ] 344-25-2 (231.13403, 3494.3975)(232.13823, 1481.4813)(253.11641, 1828.7118)(254.1172, 1064.07)(116.070404, 1495143.8)(117.07386, 87464.65)(138.05264, 25898.867)(139.05356, 2355.5798)(140.067, 3121.17) 37 115.0631 D-Proline + 6.653455 HMDB03411 + Isobutyronitrile 6.653347 C02420 Isobutyronitrile [ C4 H7 N, mfg=87.96, db=87.96, overall=87.96, CAS ID=78-82-0, KEGG ID=C02420, METLIN ID=65767 ] 78-82-0 (70.06507, 59920.492)(71.06838, 2922.2634) 37 69.0578 Isobutyronitrile + 817.5051@6.6574545 6.6574545 (818.5189, 4133.6543)(819.52844, 2079.74)(840.4949, 1321.75)(841.51, 1738.81)(842.5059, 2230.25) 5 817.5051 817.5051@6.6574545 + 682.3905@6.650678 6.650678 (683.3993, 8159.3804)(684.40106, 3418.0957)(685.3799, 3253.1501)(705.383, 3221.01)(706.3836, 1336.43) 9 682.3905 682.3905@6.650678 + C31 H48 Cl N3 O2 S 6.653345 [ C31 H48 Cl N3 O2 S, mfg=70.42, overall=70.42 ] (562.32697, 16522.648)(563.3308, 5286.186)(564.3169, 6991.756)(565.3114, 4986.8623)(579.35425, 1097.6276)(584.3123, 1299.9501)(585.3127, 765.95)(586.3208, 788.74) 35 561.3198 C31 H48 Cl N3 O2 S + C10 H7 S 6.651846 [ C10 H7 S, mfg=82.26, overall=82.26 ] (160.03427, 12493.78)(161.03745, 1163.7004)(162.04779, 780.58997) 36 159.027 C10 H7 S + C45 H78 N O6 6.6567507 [ C45 H78 N O6, mfg=87.78, overall=87.78 ] (729.58997, 3871.2473)(730.59235, 2033.4546)(731.5988, 880.1717)(751.57367, 1325.0477)(752.5744, 897.59503) 16 728.5828 C45 H78 N O6 + C26 H56 Cl N4 O S4 6.6552353 [ C26 H56 Cl N4 O S4, mfg=88.65, overall=88.65 ] (604.31, 2778.8997)(605.3145, 1055.9883)(606.3074, 1433.29)(607.3033, 713.75)(608.3131, 264.8)(626.2906, 1087.24) 20 603.3039 C26 H56 Cl N4 O S4 + 713.2601@6.652 6.652 (714.2674, 1463.67) 1 713.2601 713.2601@6.652 + C30 H51 O7 6.6503925 [ C30 H51 O7, mfg=96.07, overall=96.07 ] (1047.7305, 995.235)(1048.7365, 795.96)(1069.7133, 2269.9648)(1070.7174, 1538.17)(524.3708, 1333655.4)(525.3744, 373643.94)(526.37683, 67203.44)(527.38104, 9848.515)(528.38367, 1451.6572)(529.3816, 665.265)(546.35345, 347141.4)(547.3567, 99308.15)(548.36566, 35978.895)(549.3716, 8789.659) 37 523.3633 C30 H51 O7 + C30 H53 N3 O3 S3 6.6597514 [ C30 H53 N3 O3 S3, mfg=74.51, overall=74.51 ] (600.3294, 7411.962)(601.33374, 2650.8516)(602.3433, 6179.1157)(603.34735, 1899.6324)(604.35034, 922.81006)(622.312, 4048.8125)(623.31555, 1630.1962)(624.3244, 1258.5634) 31 599.322 C30 H53 N3 O3 S3 + 1069.7112@6.6805434 6.6805434 (1070.7185, 47597.336)(1071.7219, 17857.389)(1072.7258, 7205.465)(1073.7339, 3882.8398)(1074.737, 1087.375)(1092.6985, 947.59) 7 1069.7112 1069.7112@6.6805434 + 685.2645@6.654895 6.654895 (686.271, 1317.1199)(687.2793, 944.9525)(688.2809, 698.11) 4 685.2645 685.2645@6.654895 + C35 H74 N7 O4 S 6.6544094 [ C35 H74 N7 O4 S, mfg=97.79, overall=97.79 ] (689.55865, 7411.7393)(690.5621, 3223.8938)(691.5632, 1046.1471)(692.5616, 175.82)(706.58606, 1364.6156)(711.539, 3019.8826)(712.5427, 1488.8973)(713.5461, 773.93335) 32 688.5515 C35 H74 N7 O4 S + C24 H47 N5 O4 S2 6.6579156 [ C24 H47 N5 O4 S2, mfg=80.48, overall=80.48 ] (534.313, 9241.4375)(535.3193, 2591.8672)(536.3269, 1086.307)(556.297, 676.46) 30 533.305 C24 H47 N5 O4 S2 + 613.3333@6.6498113 6.6498113 (614.34125, 4374.132)(615.34625, 1454.3909)(616.3585, 3097.9)(617.3705, 1266.8201)(636.32526, 1388.62) 27 613.3333 613.3333@6.6498113 + 581.4167@6.651465 6.651465 (582.42413, 29002.688)(583.4269, 9438.372)(584.42914, 2261.2156)(585.4315, 621.245) 12 581.4167 581.4167@6.651465 + C29 H43 N7 O 6.65245 [ C29 H43 N7 O, mfg=77.36, overall=77.36 ] (506.36053, 3163.2146)(507.3623, 1159.3159) 26 505.3531 C29 H43 N7 O + 807.023@6.656 6.656 (808.0303, 9783.88)(809.0375, 2867.03) 1 807.023 807.023@6.656 + 628.3089@6.6666245 6.6666245 (629.3155, 2092.5808)(630.3182, 1080.2687)(631.33044, 2143.2673) 21 628.3089 628.3089@6.6666245 + 1044.7101@6.658286 6.658286 (1045.7173, 3779.3904)(1046.7208, 2327.3928)(1047.7316, 3593.654)(1048.735, 2653.8286)(1049.7402, 1962.6333)(1050.7421, 989.32)(1067.699, 10692.132)(1068.7034, 6076.3027)(1069.7139, 8633.895)(1070.7185, 4833.177)(1071.7218, 1526.25)(1072.7241, 535.66003) 15 1044.7101 1044.7101@6.658286 + 609.3645@6.665151 6.665151 (1219.7325, 707.5)(610.3714, 144791.89)(611.37463, 46191.69)(612.37445, 13566.108)(613.3751, 3184.3782)(614.3753, 899.28)(632.3534, 25029.166)(633.3568, 9112.782)(634.37006, 7288.191)(635.3746, 3347.2214) 30 609.3645 609.3645@6.665151 + 401.1517@6.655898 6.655898 (402.15945, 1896.05) 2 401.1517 401.1517@6.655898 + 694.3912@6.6498046 6.6498046 (695.39996, 1917.8237)(696.4047, 1355.8529)(697.41473, 2211.0667)(698.41, 2708.21)(699.3989, 803.44)(717.3819, 888.35) 8 694.3912 694.3912@6.6498046 + C18 H29 N8 6.66275 [ C18 H29 N8, mfg=76.32, overall=76.32 ] (358.25803, 5073.998)(359.26053, 1486.4557)(380.23596, 619.30005) 27 357.2508 C18 H29 N8 + 595.3635@6.650905 6.650905 (596.37164, 5466.162)(597.37427, 2067.0657)(598.38513, 4688.2485)(599.3881, 1626.0366)(600.39825, 8729.432)(601.4017, 3208.508)(602.407, 16708.89) 17 595.3635 595.3635@6.650905 + 806.5212@6.657296 6.657296 (807.52844, 5414.7617)(808.53406, 4786.3726) 5 806.5212 806.5212@6.657296 + 748.3648@6.658 6.658 (749.3721, 1035.9)(750.3845, 788.36)(751.3871, 1663.7) 1 748.3648 748.3648@6.658 + DL-pipecolic acid + 6.6582723 6.6582723 C00408 DL-pipecolic acid [ C6 H11 N O2, mfg=73.25, db=73.25, overall=73.25, CAS ID=535-75-1, KEGG ID=C00408, HMP ID=HMDB00070, METLIN ID=50 ] 535-75-1 (130.08643, 43498.48)(131.08641, 4892.3755)(152.06932, 3850.8823) 33 129.079 DL-pipecolic acid + 6.6582723 HMDB00070 + 779.4392@6.660742 6.660742 (780.4444, 1135.5249)(781.4343, 984.07)(782.4538, 888.56) 2 779.4392 779.4392@6.660742 + 896.1223@6.6608067 6.6608067 (897.13043, 1779.97)(898.13696, 1556.775) 2 896.1223 896.1223@6.6608067 + C42 H76 O9 6.6727214 [ C42 H76 O9, mfg=98.83, overall=98.83 ] (725.5561, 17228.164)(726.5594, 7867.482)(727.56433, 1967.1471)(728.5744, 570.205)(747.534, 1078.9717) 31 724.5486 C42 H76 O9 + C39 H44 N10 O2 6.6635437 [ C39 H44 N10 O2, mfg=45.27, overall=45.27 ] (685.37805, 10398.713)(686.38605, 4130.967)(687.3937, 6659.933)(688.4, 2942.2)(689.40845, 1267.0854)(702.4028, 1392.925)(703.3895, 917.18) 32 684.37 C39 H44 N10 O2 + 714.4183@6.681069 6.681069 (715.42346, 2242.1633)(716.4315, 2081.024)(717.4396, 1190.5) 9 714.4183 714.4183@6.681069 + 1064.6768@6.7338667 6.7338667 (1065.6841, 72939.11)(1066.6881, 43549.336)(1067.7004, 196834.31)(1068.7043, 120812.06)(1069.7148, 124733.71)(1082.7134, 3262.42)(1087.667, 5110.82)(1088.6721, 3178.31) 23 1064.6768 1064.6768@6.7338667 + 2S-amino-pentanoic acid + 6.656693 6.656693 C01826 2S-amino-pentanoic acid [ C5 H11 N O2, mfg=99.18, db=99.18, overall=99.18, KEGG ID=C01826, METLIN ID=35949 ] (235.1664, 780.23)(118.08599, 151739.03)(119.08927, 9650.365)(120.092575, 2104.53)(100.0763, 4788.71)(140.06985, 2389.495) 29 117.0787 2S-amino-pentanoic acid + 6.656693 + C28 H62 Cl2 N6 O6 S 6.656169 [ C28 H62 Cl2 N6 O6 S, mfg=54.53, overall=54.53 ] (681.38446, 6595.888)(682.3864, 2872.5066)(683.3983, 7524.675)(684.401, 3043.2578)(698.4067, 1105.505)(703.3686, 1996.3156)(704.3683, 1834.425)(705.36475, 1297.2151) 26 680.3768 C28 H62 Cl2 N6 O6 S + 598.382@6.662 6.662 (599.3893, 3775.52) 1 598.382 598.382@6.662 + 657.3636@6.660173 6.660173 (658.3707, 6652.2437)(659.3737, 2363.561)(660.3869, 3373.5352)(661.3951, 2026.58)(662.4018, 2115.98) 12 657.3636 657.3636@6.660173 + 894.6133@6.662 6.662 (895.6206, 1068.81)(896.6246, 1095.33)(897.633, 1231.51) 1 894.6133 894.6133@6.662 + Cys His Ser 6.6672487 Cys His Ser [ C12 H19 N5 O5 S, mfg=47.04, db=78.46, overall=62.75, METLIN ID=16668 ] (363.14496, 5373.9287)(364.14822, 1476.3728)(365.14212, 768.9925) 20 362.1375 Cys His Ser + C20 H41 N S2 6.6669884 [ C20 H41 N S2, mfg=86.14, overall=86.14 ] (360.274, 6751.6494)(361.27728, 1847.9711)(362.27966, 913.5933) 28 359.2669 C20 H41 N S2 + 577.41@6.656556 6.656556 (578.417, 17714.602)(579.4205, 6880.0107)(580.42487, 28877.098)(581.4285, 9404.116)(582.4245, 22034.15)(583.4271, 6139.573)(584.42737, 1304.0402)(595.4501, 1960.54)(596.4425, 1913.93)(600.39856, 7206.6484)(601.40137, 2547.567)(602.41254, 7852.9497)(603.4161, 2291.0728)(604.42773, 2035.5614)(605.4309, 725.585) 36 577.41 577.41@6.656556 + 650.3263@6.6655273 6.6655273 (651.33453, 1725.54)(652.3394, 733.555)(653.3512, 1932.63)(654.3443, 1029.56)(655.3329, 892.29) 6 650.3263 650.3263@6.6655273 + 643.254@6.674936 6.674936 (644.2628, 1894.3436)(645.2668, 939.62256)(646.2768, 1470.9102)(647.2847, 769.67) 11 643.254 643.254@6.674936 + C30 H45 Cl2 N6 6.665428 [ C30 H45 Cl2 N6, mfg=37.82, overall=37.82 ] (560.3108, 14731.867)(561.3146, 4533.8867)(562.327, 14386.44)(563.3301, 4904.52)(564.3338, 2388.04) 34 559.3035 C30 H45 Cl2 N6 + Trilobine 6.664668 C09669 Trilobine [ C35 H34 N2 O5, mfg=47.55, db=71.04, overall=59.30, CAS ID=6138-73-4, KEGG ID=C09669, METLIN ID=67874 ] 6138-73-4 (580.2804, 3295.534)(581.2843, 1435.4164) 10 579.2727 Trilobine + C31 H35 N10 O 6.6652756 [ C31 H35 N10 O, mfg=77.35, overall=38.67 ] (564.3069, 29938.389)(565.3101, 9788.286) 19 563.2991 C31 H35 N10 O + 601.2884@6.669409 6.669409 (602.29456, 2434.1863)(603.2984, 1223.1782)(604.3084, 2613.478)(605.3108, 1276.9249)(606.3084, 0.0) 15 601.2884 601.2884@6.669409 + C29 H43 N7 O2 6.665427 [ C29 H43 N7 O2, mfg=77.48, overall=77.48 ] (1043.7012, 1409.1476)(1044.7068, 1181.09)(1065.6843, 9688.81)(1066.6881, 5849.3926)(1067.6991, 13076.918)(1068.7034, 7228.338)(1069.714, 10811.625)(1070.7179, 3244.6602)(1071.7214, 1020.74664)(522.35474, 1177853.1)(523.35864, 317090.0)(544.33765, 251752.08)(545.3411, 74032.02) 37 521.3476 C29 H43 N7 O2 + 814.9952@6.668993 6.668993 (816.00385, 2551.275)(833.0276, 728.11) 2 814.9952 814.9952@6.668993 + C29 H41 N7 O 6.6681795 [ C29 H41 N7 O, mfg=67.06, overall=67.06 ] (504.34497, 2269.6812)(505.34695, 1054.0422) 21 503.337 C29 H41 N7 O + 532.333@6.6456695 6.6456695 (533.34, 5862.1836)(534.3424, 2839.17)(535.3515, 1158.98) 3 532.333 532.333@6.6456695 + C7 H22 N5 O2 6.674292 [ C7 H22 N5 O2, mfg=60.18, overall=60.18 ] (209.18576, 5689.3486)(210.18938, 1075.9233) 20 208.1784 C7 H22 N5 O2 + Trimethylamine N-oxide 6.673725 C01104 Trimethylamine N-oxide [ C3 H9 N O, mfg=85.29, db=84.92, overall=85.11, CAS ID=1184-78-7, KEGG ID=C01104, METLIN ID=3773 ] 1184-78-7 (151.14381, 25688.898)(152.14705, 3249.2605)(153.1444, 1147.6167)(76.07553, 10014.458)(77.07906, 1129.1542)(58.065163, 1069.73)(98.0592, 3126.4102) 31 75.0682 Trimethylamine N-oxide + 781.5592@6.673686 6.673686 (782.5659, 2859.742)(783.5687, 1019.86505)(784.57886, 970.97754) 5 781.5592 781.5592@6.673686 + 607.3828@6.6744514 6.6744514 (608.38983, 7270.0034)(609.3888, 3268.9597)(610.3738, 42684.49)(611.3872, 4621.6553)(630.37384, 5227.624)(631.38153, 2171.3735)(632.3884, 1170.19) 16 607.3828 607.3828@6.6744514 + C23 H55 N6 O2 S4 6.681287 [ C23 H55 N6 O2 S4, mfg=79.78, overall=79.78 ] (1173.6458, 872.8)(576.3303, 12733.966)(577.33374, 4519.069)(578.3421, 3371.7)(579.3437, 1831.87)(598.31256, 7041.2144)(599.31665, 2818.6987) 21 575.322 C23 H55 N6 O2 S4 + C25 H55 Cl2 N8 O5 6.681609 [ C25 H55 Cl2 N8 O5, mfg=47.62, overall=47.62 ] (618.3753, 7494.2197)(619.3784, 2865.4602)(620.3734, 1687.7401)(621.3719, 789.88)(622.3856, 2258.95)(635.4061, 907.56)(640.3565, 586.69) 21 617.369 C25 H55 Cl2 N8 O5 + Diethanolamine + 6.678039 6.678039 C06772 Diethanolamine [ C4 H11 N O2, mfg=86.77, db=86.76, overall=86.77, CAS ID=111-42-2, KEGG ID=C06772, HMP ID=HMDB04437, METLIN ID=3239 ] 111-42-2 (106.08619, 21651.047)(107.08935, 1425.6144) 32 105.0789 Diethanolamine + 6.678039 HMDB04437 + C37 H65 Cl2 N2 6.6950326 [ C37 H65 Cl2 N2, mfg=87.81, overall=87.81 ] (608.4613, 9465.838)(609.4643, 3514.9587)(610.456, 5907.6914)(611.4583, 2029.3097)(612.46106, 412.31848)(630.4457, 2297.54)(631.44836, 1050.0599)(632.4473, 806.77) 31 607.4558 C37 H65 Cl2 N2 + C43 H76 N O6 6.687445 [ C43 H76 N O6, mfg=96.03, overall=96.03 ] (703.5742, 55290.105)(704.5777, 23623.83)(705.582, 7469.764)(706.58594, 1456.2479)(707.589, 208.185)(725.5559, 17321.213)(726.5589, 6770.24)(727.5647, 2089.74)(728.5745, 599.99) 30 702.5671 C43 H76 N O6 + LysoPE(0:0/20:0) 6.6885204 LysoPE(0:0/20:0) [ C25 H52 N O7 P, db=99.49, overall=49.75, HMP ID=HMDB11481, METLIN ID=62269 ] (1041.6814, 3993.415)(1042.6874, 3398.7)(510.35504, 46069.7)(511.3581, 13364.172)(512.3609, 2600.7095)(513.37317, 680.408)(532.33704, 9111.116)(533.3403, 3752.97)(534.3457, 1898.4834) 37 509.3478 LysoPE(0:0/20:0) HMDB11481 + C39 H54 O13 6.693027 [ C39 H54 O13, mfg=86.81, overall=86.81 ] (731.3623, 5393.338)(732.3664, 2375.7683)(733.37146, 1079.122)(748.3891, 674.15) 24 730.3542 C39 H54 O13 + C42 H36 N5 O 6.6992645 [ C42 H36 N5 O, mfg=68.41, overall=68.41 ] (627.2993, 2221.656)(628.3042, 1013.49)(649.2817, 879.12) 27 626.2914 C42 H36 N5 O + PS(20:0/0:0) 6.7352467 PS(20:0/0:0) [ C26 H52 N O9 P, db=76.67, overall=38.34, Lipid ID=LMGP03050012, METLIN ID=78839 ] (594.3464, 6456.456)(595.35364, 2386.2698)(576.3283, 15828.686)(577.3313, 3953.67) 19 593.3318 PS(20:0/0:0) + LMGP03050012 642.3997@6.6936607 6.6936607 (643.40656, 4368.9756)(644.40643, 2253.615)(645.41174, 1542.73) 10 642.3997 642.3997@6.6936607 + 645.3098@6.692476 6.692476 (646.31683, 3279.9749)(647.32104, 1427.0735)(648.3234, 980.04407) 16 645.3098 645.3098@6.692476 + 726.3587@6.689968 6.689968 (727.3667, 2013.3721)(728.3739, 1024.864)(729.381, 975.36) 5 726.3587 726.3587@6.689968 + C25 H49 N8 O S4 6.699619 [ C25 H49 N8 O S4, mfg=88.03, overall=88.03 ] (606.29596, 18412.666)(607.2994, 6328.1416)(608.3065, 4077.3506)(609.30963, 916.20905) 31 605.2881 C25 H49 N8 O S4 + C27 H45 N2 O8 S 6.701346 [ C27 H45 N2 O8 S, mfg=88.50, overall=88.50 ] (558.29553, 28561.121)(559.299, 8414.111)(560.30707, 3014.0898) 37 557.2882 C27 H45 N2 O8 S + Xamoterol 6.6908283 C11775 Xamoterol [ C16 H25 N3 O5, mfg=47.04, db=61.01, overall=54.02, CAS ID=81801-12-9, KEGG ID=C11775, METLIN ID=69212 ] 81801-12-9 (679.36676, 3857.057)(680.3694, 2127.035) 18 678.359 Xamoterol + 1140.705@6.726694 6.726694 (1141.7063, 3878.7517)(1142.7078, 2336.0127)(1143.7139, 1568.6312)(1163.6726, 936.29) 11 1140.705 1140.705@6.726694 + 893.0994@6.7026844 6.7026844 (894.1066, 1001.67334)(895.1122, 777.28) 3 893.0994 893.0994@6.7026844 + C30 H59 N O10 S 6.7022333 [ C30 H59 N O10 S, mfg=91.09, overall=91.09 ] (626.3925, 63236.637)(627.3956, 22956.328)(628.40326, 8115.9062)(629.40814, 2051.7212)(608.38904, 6016.33)(609.3892, 2271.63) 21 625.3853 C30 H59 N O10 S + 917.1009@6.701 6.701 (918.1082, 1867.78)(919.1119, 1028.6) 1 917.1009 917.1009@6.701 + 565.4096@6.6920786 6.6920786 (566.4168, 9830.93)(567.4193, 3214.9912)(588.39905, 1641.765)(589.3958, 1158.19) 9 565.4096 565.4096@6.6920786 + 557.8466@6.702 6.702 (558.8539, 1314.18) 1 557.8466 557.8466@6.702 + 1243.8802@6.7027717 6.7027717 (1244.8868, 1869.7998)(1245.891, 1479.6542)(1246.8981, 838.87006) 12 1243.8802 1243.8802@6.7027717 + C13 H25 N O4 6.707239 [ C13 H25 N O4, mfg=99.28, overall=99.28 ] (260.1855, 68203.17)(261.1887, 10695.501)(262.19055, 2088.544)(263.1948, 276.06)(282.1681, 1031.4341) 37 259.1782 C13 H25 N O4 + C25 H55 N6 O5 S 6.705306 [ C25 H55 N6 O5 S, mfg=90.83, overall=90.83 ] (1103.7955, 1349.885)(1104.7959, 1301.38)(1125.7771, 773.076)(552.40216, 269144.12)(553.405, 81219.92)(554.39514, 55147.234)(555.39655, 15984.535)(556.3984, 3052.6172)(557.40826, 664.9523)(558.4103, 535.21)(574.3836, 53062.09)(575.38696, 16042.599)(576.3926, 5766.5215)(577.3997, 1801.9958) 37 551.3948 C25 H55 N6 O5 S + 1108.6462@6.711971 6.711971 (1109.656, 52509.23)(1110.6597, 34145.523)(1111.6667, 26395.873)(1112.6729, 14134.8955) 31 1108.6462 1108.6462@6.711971 + 793.276@6.705 6.705 (794.2833, 4581.55)(795.287, 1698.92) 1 793.276 793.276@6.705 + C29 H49 N3 O6 S 6.7049313 [ C29 H49 N3 O6 S, mfg=90.43, overall=90.43 ] (1135.6718, 21727.55)(1136.6775, 14397.12)(1157.6536, 18321.123)(1158.657, 12323.035)(1159.6637, 6305.9966)(1160.6687, 3068.6172)(1161.6708, 1492.0099)(1162.6683, 1108.49)(568.33966, 1737805.9)(569.3431, 581373.75)(570.3514, 256613.17)(571.35614, 67808.43)(572.3684, 31964.63)(590.322, 274846.4)(591.3249, 92176.41)(592.33295, 29229.645)(593.3383, 7701.2764) 37 567.3324 C29 H49 N3 O6 S + 745.2767@6.706 6.706 (746.2839, 3660.07)(747.2872, 1388.97)(748.3035, 879.02) 1 745.2767 745.2767@6.706 + C29 H41 N7 O2 6.704902 [ C29 H41 N7 O2, mfg=77.88, overall=77.88 ] (1061.6534, 80809.13)(1062.6566, 47533.496)(1063.6677, 44542.062)(1064.673, 22318.469)(1065.6837, 57606.27)(520.33966, 4398478.5)(521.3431, 1272539.6)(542.3219, 573535.56)(543.3251, 161973.02) 37 519.3322 C29 H41 N7 O2 + 883.9824@6.71352 6.71352 (885.0007, 3022.8503)(886.0154, 1074.19)(887.02277, 1013.4) 3 883.9824 883.9824@6.71352 + C31 H47 N7 O2 6.70784 [ C31 H47 N7 O2, mfg=77.79, overall=77.79 ] (1121.7418, 892.78796)(1122.7437, 724.645)(1123.7588, 740.52)(550.38654, 192707.0)(551.38965, 62019.785)(572.3683, 38979.74)(573.3717, 12726.648)(574.3835, 50093.71)(575.3871, 15392.882)(576.3956, 6525.03) 37 549.3791 C31 H47 N7 O2 + 554.8481@6.7059627 6.7059627 (1132.6862, 923.17)(555.8552, 4642.884)(556.8522, 803.25934)(557.8465, 1033.12) 29 554.8481 554.8481@6.7059627 + C31 H49 O S2 6.705691 [ C31 H49 O S2, mfg=84.80, overall=84.80 ] (502.3295, 6309.1914)(503.3324, 2045.8057)(504.3382, 1103.865) 33 501.3218 C31 H49 O S2 + C37 H46 Cl N4 O4 S 6.698334 [ C37 H46 Cl N4 O4 S, mfg=54.78, overall=54.78 ] (678.298, 2328.3918)(679.3024, 1216.495)(680.3116, 1511.575) 14 677.2886 C37 H46 Cl N4 O4 S + 671.318@6.708 6.708 (672.3252, 2305.58)(673.3303, 1033.39) 1 671.318 671.318@6.708 + 725.2892@6.615661 6.615661 (726.2966, 2503.9998)(727.3001, 1266.31)(728.3071, 1615.63) 12 725.2892 725.2892@6.615661 + 1116.7@6.720474 6.720474 (1117.7073, 3526.1716)(1118.7083, 2238.8142)(1119.7174, 3098.5408)(1120.7301, 2343.84)(1121.7401, 1659.8721)(1139.6982, 6803.63)(1140.7018, 4269.45)(1141.7144, 11894.82)(1142.717, 7990.24)(1143.717, 5009.02)(1144.7167, 2133.37)(1145.7328, 262.69) 16 1116.7 1116.7@6.720474 + 859.4785@6.711199 6.711199 (860.4937, 3395.0703)(861.49976, 1626.1525)(862.4996, 2065.853)(863.5047, 751.40656)(864.52686, 757.33) 12 859.4785 859.4785@6.711199 + C40 H48 Cl N O3 S 6.7001266 [ C40 H48 Cl N O3 S, mfg=62.98, overall=62.98 ] (658.30914, 7524.2617)(659.3121, 2722.3171)(660.3181, 1746.0299)(661.3268, 2083.77) 24 657.3024 C40 H48 Cl N O3 S + C24 H51 N O14 S 6.704838 [ C24 H51 N O14 S, mfg=85.20, overall=85.20 ] (610.30963, 11626.863)(611.31335, 3471.144)(612.3212, 1816.08) 36 609.3021 C24 H51 N O14 S + 822.9757@6.726171 6.726171 (823.9885, 2588.644)(824.9982, 1939.9865)(825.98975, 17501.12)(826.99664, 8714.276)(841.0107, 2223.56) 13 822.9757 822.9757@6.726171 + 1126.6724@6.721178 6.721178 (1127.6876, 2528.9646)(1128.6835, 1830.7845)(1129.668, 1882.304)(1130.6525, 2475.85)(1131.6516, 2318.96)(1144.7211, 1071.23) 13 1126.6724 1126.6724@6.721178 + 865.5133@6.723139 6.723139 (866.5165, 1893.1051)(867.5075, 1569.02)(868.5068, 1536.62) 4 865.5133 865.5133@6.723139 + 1176.6359@6.7098045 6.7098045 (1177.6458, 5065.615)(1178.6538, 3263.8398)(1179.6569, 2407.7424)(1180.6605, 3375.97) 4 1176.6359 1176.6359@6.7098045 + 1160.6833@6.708128 6.708128 (1161.678, 2069.9568)(1162.6764, 1320.51)(1163.6637, 1224.905) 3 1160.6833 1160.6833@6.708128 + 1244.6294@6.711 6.711 (1245.6367, 2702.06)(1246.6449, 2362.51)(1247.653, 1314.5) 1 1244.6294 1244.6294@6.711 + 639.3479@6.711 6.711 (640.3557, 6027.19)(641.3576, 2075.97)(642.3711, 6995.93)(643.371, 1341.87)(662.3311, 851.35) 1 639.3479 639.3479@6.711 + 1224.6375@6.711 6.711 (1225.6447, 6117.49)(1226.6533, 4153.87)(1227.6576, 2896.5)(1228.6666, 1084.35) 1 1224.6375 1224.6375@6.711 + 836.3195@6.712 6.712 (837.3268, 3704.58)(838.3266, 1753.13) 1 836.3195 836.3195@6.712 + 856.9808@6.712 6.712 (857.9881, 4384.41)(859.0041, 3697.28)(859.9844, 14623.67)(860.9889, 9832.09) 1 856.9808 856.9808@6.712 + Gymnodimine + 6.7119865 6.7119865 C20025 Gymnodimine [ C32 H45 N O4, mfg=69.11, db=61.90, overall=65.51, CAS ID=173792-58-0, KEGG ID=C20025, METLIN ID=73510 ] 173792-58-0 (1037.6537, 43870.105)(1038.6567, 24911.842)(1039.6699, 78220.26)(1040.6738, 43339.63)(508.33954, 12757.606)(509.34286, 3952.687)(530.3219, 10461.69)(531.32587, 3106.6887) 37 507.3322 Gymnodimine + 6.7119865 + 899.5088@6.712 6.712 (900.5161, 2367.34)(901.4985, 991.03)(902.4996, 756.09) 1 899.5088 899.5088@6.712 + 893.4804@6.712 6.712 (894.4876, 5263.79) 1 893.4804 893.4804@6.712 + 878.9938@6.713 6.713 (880.001, 2845.36)(881.0029, 1795.1)(881.9882, 5300.68)(882.9914, 3543.78)(883.9854, 11188.24) 1 878.9938 878.9938@6.713 + 939.5066@6.697387 6.697387 (940.5132, 2107.9675)(941.5205, 1051.5868)(942.5301, 1017.61993) 4 939.5066 939.5066@6.697387 + 700.3441@6.6884465 6.6884465 (701.3509, 4733.299)(702.35486, 2136.4258)(703.36255, 2285.165)(704.3672, 661.66003) 6 700.3441 700.3441@6.6884465 + 1232.6616@6.714 6.714 (1233.669, 1027.03)(1234.6871, 725.59)(1235.6444, 1241.29)(1236.6582, 619.06) 1 1232.6616 1232.6616@6.714 + 847.4818@6.711363 6.711363 (848.49414, 5899.265)(849.50464, 2463.5352)(850.4908, 16507.01)(851.49854, 6182.37)(852.5138, 5636.33)(865.5175, 2339.42) 2 847.4818 847.4818@6.711363 + 898.0054@6.714 6.714 (899.0126, 1698.33)(900.0106, 1484.49)(901.0098, 1160.98) 1 898.0054 898.0054@6.714 + 864.0098@6.714 6.714 (865.0171, 3791.52)(866.0219, 3189.2)(867.0165, 1895.63) 1 864.0098 864.0098@6.714 + C46 H49 Cl O 6.7120347 [ C46 H49 Cl O, mfg=58.85, overall=58.85 ] (653.35095, 5446.9946)(654.349, 2677.4868)(655.3612, 2114.602)(656.3716, 2163.07) 20 652.3437 C46 H49 Cl O + 670.4314@6.715 6.715 (671.4387, 5260.45)(672.436, 2484.47)(673.4436, 791.72) 1 670.4314 670.4314@6.715 + 954.5166@6.715 6.715 (955.5238, 955.96)(956.5119, 1309.22)(957.5053, 857.34) 1 954.5166 954.5166@6.715 + 905.9861@6.715 6.715 (906.9934, 2576.19) 1 905.9861 905.9861@6.715 + 720.3317@6.710173 6.710173 (721.3388, 3458.2532)(722.34143, 1878.94)(723.3515, 1429.39) 3 720.3317 720.3317@6.710173 + 800.981@6.7109313 6.7109313 (801.98846, 16278.746)(802.993, 9949.946)(804.00226, 14706.735) 33 800.981 800.981@6.7109313 + 834.0077@6.716877 6.716877 (835.00885, 1796.4175)(835.9995, 631.97)(837.0135, 810.03)(838.0, 858.02)(839.0113, 773.04)(856.986, 939.21)(857.9867, 692.84) 4 834.0077 834.0077@6.716877 + 872.0026@6.708735 6.708735 (873.0045, 3147.266)(874.00214, 2916.5576)(875.0117, 2569.1133)(894.9891, 689.69) 5 872.0026 872.0026@6.708735 + 1344.8184@6.7148447 6.7148447 (1345.8236, 2030.154)(1346.8303, 1804.3025)(1347.8392, 842.56) 5 1344.8184 1344.8184@6.7148447 + 1239.668@6.715 6.715 (1240.6753, 1294.28)(1241.6808, 1138.35)(1242.6658, 894.84) 1 1239.668 1239.668@6.715 + 1172.6432@6.7106576 6.7106576 (1173.6417, 1527.52)(1174.6412, 1269.89)(1175.6572, 1445.72) 3 1172.6432 1172.6432@6.7106576 + 631.8314@6.716 6.716 (1264.6687, 1085.31)(1265.6666, 1369.09)(1266.6777, 1024.72)(632.8396, 936.8) 1 631.8314 631.8314@6.716 + 1084.6464@6.7162704 6.7162704 (1085.6538, 49690.273)(1086.6575, 31130.379)(1087.6696, 57247.836)(1088.6738, 43560.246)(1089.6846, 127647.09)(1102.6823, 1197.26) 16 1084.6464 1084.6464@6.7162704 + 881.4998@6.712976 6.712976 (882.5005, 2242.4368)(883.51953, 928.04)(884.51733, 989.17505)(885.5221, 636.975)(886.5317, 418.63) 3 881.4998 881.4998@6.712976 + 823.4794@6.717936 6.717936 (824.4872, 2258.8142)(825.49963, 1366.871)(826.48944, 12900.56)(827.503, 5382.785)(828.5113, 17406.74)(806.4811, 2292.57)(841.5109, 2071.4138) 14 823.4794 823.4794@6.717936 + 1196.6388@6.716 6.716 (1197.6472, 2791.29)(1198.6553, 1795.15)(1199.6495, 1901.39)(1214.6676, 996.88)(1215.6718, 870.52) 1 1196.6388 1196.6388@6.716 + 846.9771@6.715647 6.715647 (847.99036, 2759.279)(848.99646, 2046.6464)(849.9907, 11054.113)(850.9995, 7962.935)(852.0123, 7196.315)(865.01996, 892.95996)(866.0122, 759.65)(867.0014, 689.79) 13 846.9771 846.9771@6.715647 + 890.9917@6.716 6.716 (891.999, 2676.94)(893.0066, 1715.63)(893.9875, 5687.68) 1 890.9917 890.9917@6.716 + 1109.1533@6.712312 6.712312 (1110.1582, 6537.442)(1111.1652, 3690.8914)(1112.1787, 3535.48)(1092.1497, 736.67) 8 1109.1533 1109.1533@6.712312 + 1094.6523@6.7301574 6.7301574 (1095.6567, 2707.8137)(1096.6602, 2080.9163)(1097.6573, 5775.3555)(1098.6614, 6349.2803)(1099.6713, 4727.06)(1117.646, 1745.92)(1118.6534, 1520.06)(1119.6508, 1722.89) 8 1094.6523 1094.6523@6.7301574 + 1072.648@6.73766 6.73766 (1073.659, 6327.735)(1074.6622, 5484.7773)(1075.6764, 7723.525)(1076.6938, 5050.845)(1077.6833, 2755.85) 22 1072.648 1072.648@6.73766 + 1128.6364@6.715271 6.715271 (1129.6514, 3793.8152)(1130.6549, 2642.97)(1131.6539, 2578.4434)(1132.658, 2869.4749)(1133.6589, 20388.43) 6 1128.6364 1128.6364@6.715271 + 917.4829@6.717 6.717 (918.4917, 4208.09)(919.5096, 2229.7)(920.5174, 2449.61)(935.5102, 1458.2) 1 917.4829 917.4829@6.717 + C36 H52 N8 6.717821 [ C36 H52 N8, mfg=64.95, overall=32.47 ] (596.4386, 5600.071)(597.4408, 1982.7809)(598.4397, 904.70996) 29 595.432 C36 H52 N8 + 915.4928@6.717 6.717 (916.5001, 3070.26) 1 915.4928 915.4928@6.717 + 810.9799@6.7803564 6.7803564 (811.9861, 2752.8235)(812.99023, 2001.1373)(813.9924, 14229.113)(829.0092, 4529.23) 9 810.9799 810.9799@6.7803564 + 1152.6371@6.721898 6.721898 (1153.6483, 3629.998)(1154.6594, 2586.6602)(1155.6643, 2245.374) 5 1152.6371 1152.6371@6.721898 + 813.9876@6.738321 6.738321 (1628.981, 1056.66)(1629.9893, 1047.55)(1630.9952, 691.78503)(814.99475, 7284.6514) 5 813.9876 813.9876@6.738321 + 1058.6392@6.7523494 6.7523494 (1059.6461, 2863.609)(1060.65, 2138.4053)(1061.6533, 180097.83)(1076.6761, 7003.52)(1077.6853, 7101.86) 16 1058.6392 1058.6392@6.7523494 + 1104.6385@6.776997 6.776997 (1105.6515, 2870.6494)(1106.6555, 2165.646)(1107.6609, 2791.7422)(1108.6729, 2445.71) 22 1104.6385 1104.6385@6.776997 + C33 H39 N4 O3 6.7166677 [ C33 H39 N4 O3, mfg=74.37, overall=74.37 ] (540.30914, 4906.069)(541.31244, 2003.8319) 27 539.3002 C33 H39 N4 O3 + 1104.7081@6.743061 6.743061 (1105.7014, 3546.4578)(1106.6978, 2761.5527)(1107.697, 2322.5552)(1127.6895, 3982.835)(1128.6995, 4626.42)(1129.6821, 3203.51) 5 1104.7081 1104.7081@6.743061 + 936.4962@6.718 6.718 (937.5034, 2658.21)(938.4999, 2595.25)(939.5104, 3210.74) 1 936.4962 936.4962@6.718 + 268.9863@6.7109904 6.7109904 (269.99335, 3476.9202) 2 268.9863 268.9863@6.7109904 + C29 H52 N3 O3 S2 6.708595 [ C29 H52 N3 O3 S2, mfg=80.71, overall=80.71 ] (555.3535, 8813.775)(556.35223, 3149.6992)(557.34656, 1442.2576)(577.3339, 9131.39) 35 554.3461 C29 H52 N3 O3 S2 + 1118.6545@6.721209 6.721209 (1119.6611, 2295.1816)(1120.6666, 2049.965)(1121.6608, 3145.1519)(1122.6621, 2686.36)(1123.6782, 2016.52)(1141.6528, 804.045)(1142.6589, 752.53)(1143.6605, 1225.185) 6 1118.6545 1118.6545@6.721209 + 653.2906@6.719228 6.719228 (654.29895, 4726.37)(655.29956, 1635.185) 2 653.2906 653.2906@6.719228 + 1071.1466@6.781477 6.781477 (1072.1514, 1972.715)(1073.1677, 1164.46)(1074.1573, 5239.59)(1075.1653, 2764.23) 4 1071.1466 1071.1466@6.781477 + 103.0998@6.718 6.718 (104.1071, 724872.1)(105.1104, 41073.36)(106.1121, 2605.83) 1 103.0998 103.0998@6.718 + 866.9933@6.7204127 6.7204127 (868.0051, 1381.4332)(869.0026, 1321.9633)(870.00214, 2358.4368)(870.996, 2517.59)(871.9888, 8208.0) 3 866.9933 866.9933@6.7204127 + 888.0051@6.718 6.718 (889.0124, 1616.95)(889.9969, 1293.15)(891.0183, 1145.86) 1 888.0051 888.0051@6.718 + 1402.8167@6.718 6.718 (1403.824, 901.96)(1404.8264, 970.86)(1405.8354, 1021.73) 1 1402.8167 1402.8167@6.718 + 883.4816@6.713018 6.713018 (884.4987, 4098.7905)(885.50433, 2234.04)(886.51056, 2264.4434)(887.5124, 2220.94)(888.5212, 1254.0) 3 883.4816 883.4816@6.713018 + 1142.6505@6.7308717 6.7308717 (1143.6594, 2032.5859)(1144.6638, 1948.0881)(1145.6707, 2030.4319)(1146.6724, 1512.58)(1147.6694, 1158.52) 5 1142.6505 1142.6505@6.7308717 + 926.4965@6.719 6.719 (927.5049, 2535.8)(928.4993, 2771.83)(929.5154, 2227.71)(944.528, 1470.99) 1 926.4965 926.4965@6.719 + 1199.1501@6.719 6.719 (1200.1573, 1006.61)(1201.1733, 964.76)(1202.1617, 1313.06) 1 1199.1501 1199.1501@6.719 + 855.9999@6.719 6.719 (857.0072, 1995.09) 1 855.9999 855.9999@6.719 + 982.9911@6.719 6.719 (983.9984, 1377.38)(985.0227, 764.84)(986.0046, 1126.48) 1 982.9911 982.9911@6.719 + 811.461@6.735163 6.735163 (812.48175, 2555.5562)(813.48535, 1482.0887)(814.48584, 6953.6284)(815.4911, 1842.51)(816.5047, 3844.93) 10 811.461 811.461@6.735163 + 1117.1516@6.726603 6.726603 (1118.1605, 1417.89)(1119.1753, 1479.4268)(1120.1625, 2396.8567)(1121.1658, 2112.0)(1122.165, 4101.41)(1123.1725, 3057.01) 3 1117.1516 1117.1516@6.726603 + 1200.6433@6.719 6.719 (1201.6505, 3996.17)(1202.6562, 3093.78)(1203.6677, 2349.26) 1 1200.6433 1200.6433@6.719 + 1049.148@6.723988 6.723988 (1050.156, 5201.1714)(1051.1611, 2350.8596)(1052.1697, 5186.32)(1053.1779, 2532.21)(1054.1871, 4213.89)(1072.144, 1070.87) 22 1049.148 1049.148@6.723988 + 958.4937@6.719 6.719 (959.501, 1469.6)(960.5214, 1331.02)(961.5029, 2169.78)(962.5008, 2139.26)(963.511, 1765.59) 1 958.4937 958.4937@6.719 + 995.5017@6.719 6.719 (996.5089, 951.94)(997.5135, 1047.61) 1 995.5017 995.5017@6.719 + 1164.6595@6.7237415 6.7237415 (1165.655, 1243.715)(1166.6608, 1152.38)(1167.6436, 1697.5166) 4 1164.6595 1164.6595@6.7237415 + 1208.6783@6.719 6.719 (1209.6857, 1610.77)(1210.6866, 1150.53)(1211.6665, 1406.14)(1212.6554, 1044.36)(1213.6742, 1052.95) 1 1208.6783 1208.6783@6.719 + 1165.1477@6.719 6.719 (1166.1543, 2061.06)(1167.1641, 1224.29)(1168.1604, 2753.91)(1183.1829, 1109.67) 1 1165.1477 1165.1477@6.719 + 777.4815@6.719983 6.719983 (778.48773, 7255.4917)(779.49225, 2398.3127)(780.5043, 9820.615)(781.5058, 2033.8911)(800.4599, 1256.96)(801.4486, 721.41)(802.4367, 974.27) 27 777.4815 777.4815@6.719983 + 869.4817@6.72 6.72 (870.489, 4191.39)(871.5077, 2415.42)(872.489, 8506.86)(873.4988, 3436.01)(874.4954, 7957.83)(875.5083, 3912.44)(876.5236, 4256.31)(877.5249, 1612.3) 1 869.4817 869.4817@6.72 + 1186.6555@6.72 6.72 (1187.6628, 1639.06)(1188.6543, 1580.67)(1189.667, 2114.42) 1 1186.6555 1186.6555@6.72 + 557.3427@6.711174 6.711174 (558.35, 4006.5713)(559.35486, 1664.7487) 16 557.3427 557.3427@6.711174 + 946.4973@6.72 6.72 (947.5046, 1461.3)(948.5076, 1099.09)(949.5029, 2233.2)(950.5016, 2148.68)(951.5116, 2319.0) 1 946.4973 946.4973@6.72 + 846.5107@6.72 6.72 (847.518, 2462.69) 1 846.5107 846.5107@6.72 + 1133.6501@6.715746 6.715746 (1134.6606, 10569.165)(1135.6678, 10478.19)(1136.6738, 6387.69) 2 1133.6501 1133.6501@6.715746 + 878.4915@6.72 6.72 (879.4988, 4201.27)(880.4985, 2201.15)(881.5111, 4446.32) 1 878.4915 878.4915@6.72 + 974.5052@6.72 6.72 (975.5116, 2005.73)(976.5183, 1196.82)(977.5253, 893.88)(992.5413, 965.06) 1 974.5052 974.5052@6.72 + 951.4997@6.72 6.72 (952.507, 2897.63)(953.5208, 1358.08)(954.5104, 1396.6) 1 951.4997 951.4997@6.72 + 1202.1691@6.72 6.72 (1203.1719, 1288.47)(1204.1709, 1133.49)(1185.171, 1122.81)(1186.1637, 763.26)(1187.168, 1161.41) 1 1202.1691 1202.1691@6.72 + 946.9896@6.72 6.72 (947.9969, 1235.39)(949.0158, 1091.14)(949.9947, 2345.38)(951.0035, 1089.16)(952.0059, 2650.72) 1 946.9896 946.9896@6.72 + 982.4947@6.72 6.72 (983.502, 2146.95)(984.5124, 1410.61)(985.5087, 1638.59)(986.5067, 1275.28) 1 982.4947 982.4947@6.72 + 133.0113@6.7236185 6.7236185 (134.01857, 4623.3726) 13 133.0113 133.0113@6.7236185 + 1141.1508@6.72 6.72 (1142.1575, 2316.2)(1143.1831, 1795.25)(1144.1561, 5074.01)(1145.169, 2749.53)(1146.1731, 2794.3)(1159.185, 2244.64)(1160.1835, 2075.42)(1161.177, 1417.58) 1 1141.1508 1141.1508@6.72 + 917.9889@6.72 6.72 (918.9962, 3025.59)(920.0034, 2809.14)(921.0104, 1621.62) 1 917.9889 917.9889@6.72 + 1150.163@6.721 6.721 (1151.1703, 1610.57)(1152.1711, 1475.64)(1153.174, 1567.04) 1 1150.163 1150.163@6.721 + 1155.6552@6.721 6.721 (1156.6625, 3898.72) 1 1155.6552 1155.6552@6.721 + 835.4775@6.717925 6.717925 (836.4892, 2920.6284)(837.5006, 1667.533)(838.4951, 5229.331)(839.4983, 2651.078)(840.50824, 3261.4788)(853.515, 859.04004)(854.5024, 1074.88) 15 835.4775 835.4775@6.717925 + 1092.7054@6.7188115 6.7188115 (1093.7128, 10222.718)(1094.7161, 5306.775)(1095.725, 4223.0967)(1096.7257, 1632.196)(1097.7423, 1667.95) 12 1092.7054 1092.7054@6.7188115 + Indole-3-ethanol 6.7169604 C00955 Indole-3-ethanol [ C10 H11 N O, mfg=47.61, db=87.53, overall=67.57, CAS ID=526-55-6, KEGG ID=C00955, HMP ID=HMDB03447, METLIN ID=6932 ] 526-55-6 (184.07333, 7485.5996)(185.0768, 798.72) 22 183.066 Indole-3-ethanol HMDB03447 + 834.9834@6.716259 6.716259 (835.99164, 3077.055)(836.9955, 2448.511)(837.99133, 7521.2554)(838.9963, 5205.0054)(840.00653, 3811.0032)(853.0125, 1683.97) 12 834.9834 834.9834@6.716259 + 971.0016@6.721 6.721 (972.0088, 1648.62)(973.0206, 1128.09)(973.9969, 1940.53)(975.0065, 1205.48)(976.0148, 1047.93) 1 971.0016 971.0016@6.721 + 696.3319@6.7216897 6.7216897 (697.33856, 3492.5898)(698.3447, 1390.7467)(699.3486, 1244.71) 3 696.3319 696.3319@6.7216897 + 1107.6675@6.7435803 6.7435803 (1108.669, 2379.073)(1109.6654, 1313.93)(1110.6892, 1223.31)(1130.6625, 1259.15)(1131.6694, 1320.29)(1132.674, 1365.16) 7 1107.6675 1107.6675@6.7435803 + 1131.1487@6.7121453 6.7121453 (1132.162, 2008.3966)(1133.1686, 1661.94)(1134.1635, 3442.553)(1135.1655, 1798.3965)(1136.1833, 2908.64) 3 1131.1487 1131.1487@6.7121453 + Erythromycin estolate 6.7114573 C08031 Erythromycin estolate [ C40 H71 N O14, db=25.54, overall=25.54, Lipid ID=LMPK04000015, KEGG ID=C08031, METLIN ID=46764 ] (790.48865, 11256.245)(791.49347, 3468.0999)(792.502, 7497.075)(793.5123, 7396.99)(794.5211, 32581.18)(795.5245, 5916.64)(812.467, 2206.6965)(813.4715, 1284.5133)(814.4479, 1395.69) 31 789.4826 Erythromycin estolate + LMPK04000015 963.4992@6.702772 6.702772 (964.50726, 2070.1333)(965.5176, 941.7133)(966.52045, 974.61) 3 963.4992 963.4992@6.702772 + 970.5031@6.721 6.721 (971.5103, 1765.34)(972.4959, 1377.06)(973.5119, 1913.1) 1 970.5031 970.5031@6.721 + 1083.1466@6.726859 6.726859 (1084.1606, 1910.29)(1085.177, 1256.775)(1086.1593, 6558.44)(1087.1685, 3688.02)(1088.1753, 5278.04) 2 1083.1466 1083.1466@6.726859 + 905.5024@6.695068 6.695068 (906.50507, 2005.4233)(907.5196, 1543.2401)(908.5174, 2809.9)(909.5344, 1366.6)(910.5395, 2378.14)(888.4957, 647.6)(928.4946, 780.89) 3 905.5024 905.5024@6.695068 + 788.9807@6.717811 6.717811 (789.9883, 12218.879)(790.99286, 6343.1333)(792.0036, 9567.681)(793.0088, 6811.1636)(794.0193, 35748.86) 35 788.9807 788.9807@6.717811 + 902.4971@6.722 6.722 (903.5044, 4213.02)(904.4957, 3101.37)(905.5205, 3439.73) 1 902.4971 902.4971@6.722 + 1105.1655@6.722 6.722 (1106.1729, 962.39)(1107.1731, 1401.15)(1108.1552, 3711.56) 1 1105.1655 1105.1655@6.722 + 813.4832@6.7213345 6.7213345 (814.4902, 10463.152)(815.4964, 4014.4934)(816.50464, 7036.503)(817.509, 2901.235)(818.51965, 5254.955)(819.525, 1620.21)(820.526, 2571.78)(796.4786, 1117.65)(797.4949, 1030.78)(798.4702, 1127.45)(831.51654, 1266.1434) 25 813.4832 813.4832@6.7213345 + 1177.1482@6.722 6.722 (1178.1555, 2386.04)(1179.1718, 1712.38)(1180.1659, 2039.19)(1181.1764, 1186.81)(1182.1829, 827.98) 1 1177.1482 1177.1482@6.722 + C30 H48 Cl N O8 6.719996 [ C30 H48 Cl N O8, mfg=92.41, overall=92.41 ] (586.31305, 8379.241)(587.31714, 2625.7456)(588.3164, 2816.804)(589.31335, 888.235) 29 585.305 C30 H48 Cl N O8 + 1080.6337@6.722 6.722 (1081.6432, 4933.9)(1082.6549, 3102.67)(1083.6512, 3140.55)(1098.6664, 4927.8) 1 1080.6337 1080.6337@6.722 + C29 H60 N2 O4 S4 6.7241197 [ C29 H60 N2 O4 S4, mfg=72.87, overall=72.87 ] (629.35175, 5678.1216)(630.3568, 2427.4536)(631.3415, 1933.7175) 23 628.3447 C29 H60 N2 O4 S4 + 1140.1711@6.722 6.722 (1141.175, 1796.76)(1163.1654, 1351.53)(1164.159, 1451.28)(1165.1797, 1243.14) 1 1140.1711 1140.1711@6.722 + 627.3492@6.723 6.723 (628.3565, 8046.14) 1 627.3492 627.3492@6.723 + 631.3134@6.7891026 6.7891026 (632.3198, 3014.99)(633.32227, 800.73)(634.3094, 36650.22)(654.2991, 3315.68)(655.2992, 1134.85)(656.3103, 874.52) 2 631.3134 631.3134@6.7891026 + 895.4986@6.7065053 6.7065053 (896.50684, 2033.4944)(897.513, 1575.5178)(898.52167, 1304.3567) 9 895.4986 895.4986@6.7065053 + 744.3314@6.723 6.723 (745.3386, 4720.68)(746.3416, 2561.43)(747.3567, 1557.93) 1 744.3314 744.3314@6.723 + C32 H43 N3 S2 6.7213955 [ C32 H43 N3 S2, mfg=92.17, overall=92.17 ] (534.2966, 15225.877)(535.3014, 5039.133)(536.2995, 2598.2212)(537.307, 616.15)(556.2796, 582.26) 30 533.2887 C32 H43 N3 S2 + 1187.158@6.724 6.724 (1188.1652, 1373.76)(1189.18, 1547.06)(1190.1741, 1911.84)(1191.1826, 1221.68)(1192.1718, 1383.15) 1 1187.158 1187.158@6.724 + LysoPE(0:0/22:0) + 6.722954 6.722954 LysoPE(0:0/22:0) [ C27 H56 N O7 P, db=99.33, overall=49.67, HMP ID=HMDB11490, METLIN ID=62278 ] (1075.7605, 3069.785)(1076.7638, 2782.0098)(1077.7677, 2913.55)(1097.7426, 3302.2415)(1098.7456, 2039.9713)(1099.7513, 1707.4729)(538.3867, 244980.3)(539.3898, 74739.97)(540.391, 15734.366)(541.3884, 2720.9644)(560.36804, 29989.826)(561.3716, 9396.094)(562.3714, 3329.337)(563.3757, 1091.1633) 37 537.3793 LysoPE(0:0/22:0) + 6.722954 HMDB11490 + 1189.6509@6.724 6.724 (1190.6582, 1918.71)(1191.6764, 2099.89)(1192.676, 2162.51)(1193.6881, 1280.83)(1194.6769, 1035.01) 1 1189.6509 1189.6509@6.724 + 1153.1493@6.724 6.724 (1154.1566, 3168.36)(1155.1827, 2226.55)(1156.1616, 3758.23)(1157.1661, 2491.66)(1158.1783, 3831.64) 1 1153.1493 1153.1493@6.724 + 206.1991@6.724 6.724 (207.2064, 18531.6)(208.2107, 1950.56) 1 206.1991 206.1991@6.724 + 801.4827@6.7187943 6.7187943 (802.4894, 15020.05)(803.4952, 5912.455)(804.5033, 12221.991)(805.5102, 5771.16)(806.5182, 8449.425)(824.4745, 1317.3601)(825.5015, 966.98)(826.4858, 1523.72)(827.4887, 683.03) 35 801.4827 801.4827@6.7187943 + 941.0073@6.725 6.725 (942.0145, 2413.13)(943.0086, 1651.48)(943.9935, 2072.68) 1 941.0073 941.0073@6.725 + 701.2891@6.6340356 6.6340356 (702.29736, 2230.921)(703.30115, 1064.9226)(704.31116, 914.015) 9 701.2891 701.2891@6.6340356 + 676.3436@6.7267213 6.7267213 (677.35205, 4998.3784)(678.3542, 2060.6965) 6 676.3436 676.3436@6.7267213 + 894.9928@6.725 6.725 (896.0001, 5150.08)(897.0005, 3454.42) 1 894.9928 894.9928@6.725 + 1095.148@6.7403483 6.7403483 (1096.1635, 2193.805)(1097.1788, 1889.39)(1098.1709, 5347.63)(1099.1688, 5325.84)(1100.1782, 9620.5) 6 1095.148 1095.148@6.7403483 + 634.3056@6.7991104 6.7991104 (635.3106, 7588.24)(636.3131, 4526.96)(637.3292, 2231.86) 2 634.3056 634.3056@6.7991104 + 1356.8273@6.7293777 6.7293777 (1357.8323, 1800.9302)(1358.8389, 1414.17)(1359.8424, 1828.5625)(1360.8586, 1101.03)(1379.818, 1033.43)(1380.8337, 923.0)(1381.8295, 1529.03)(1382.8334, 842.78)(1383.8533, 1026.86) 4 1356.8273 1356.8273@6.7293777 + 1180.6661@6.726 6.726 (1181.6733, 5546.45)(1182.6765, 3879.96)(1183.6827, 2433.11) 1 1180.6661 1180.6661@6.726 + 1039.1656@6.7213483 6.7213483 (1040.1718, 3575.3967)(1041.1788, 1625.6)(1062.1569, 6556.314)(1063.1753, 3762.597)(1064.172, 5758.7104)(1065.179, 3454.195) 3 1039.1656 1039.1656@6.7213483 + 637.3313@6.726 6.726 (638.3386, 2722.48)(639.3414, 1074.87) 1 637.3313 637.3313@6.726 + C28 H59 N6 O3 S3 6.719844 [ C28 H59 N6 O3 S3, mfg=86.48, overall=86.48 ] (624.3869, 47421.543)(625.39026, 13446.142)(626.3928, 13787.272)(627.3956, 3131.1326)(628.4033, 2630.25)(646.3685, 12326.216)(647.372, 4505.93)(648.3808, 2918.4995)(649.3829, 464.22) 32 623.3797 C28 H59 N6 O3 S3 + 830.0165@6.7268186 6.7268186 (831.02094, 2843.5667)(832.0254, 1720.0387)(833.0128, 1208.7975) 9 830.0165 830.0165@6.7268186 + 861.4953@6.6541076 6.6541076 (862.49457, 5615.8267)(863.5004, 2568.28)(864.5183, 4274.42) 3 861.4953 861.4953@6.6541076 + 1036.6469@6.742055 6.742055 (1037.6536, 82717.805)(1038.6567, 47094.227)(1039.67, 118182.336)(1040.6741, 75692.73)(1041.684, 101244.086)(1042.6882, 49495.508)(1043.7002, 11851.47)(1059.6412, 1368.825)(1060.6453, 1306.6533) 29 1036.6469 1036.6469@6.742055 + 1056.7094@6.7286563 6.7286563 (1057.7114, 4979.747)(1058.7078, 3064.843)(1059.7272, 3706.175)(1074.7383, 2061.81)(1075.7587, 1845.46)(1076.7623, 1847.13) 9 1056.7094 1056.7094@6.7286563 + 896.5225@6.6986985 6.6986985 (897.5339, 1809.0333)(898.5328, 1395.4766)(899.5188, 1591.1799)(879.5068, 1006.17) 3 896.5225 896.5225@6.6986985 + 1128.168@6.7263756 6.7263756 (1129.1687, 1293.54)(1130.1597, 1612.0)(1131.1824, 1640.7849) 2 1128.168 1128.168@6.7263756 + 940.5112@6.727 6.727 (941.5185, 2541.34)(942.5175, 2313.83) 1 940.5112 940.5112@6.727 + 860.9945@6.684272 6.684272 (861.9989, 4525.016)(863.0031, 3417.696)(864.0117, 1818.4622) 5 860.9945 860.9945@6.684272 + 1112.6766@6.7417307 6.7417307 (1113.6813, 13338.494)(1114.6846, 7984.046)(1115.6929, 5677.5522)(1116.6957, 3213.48)(1117.6914, 3743.0378) 35 1112.6766 1112.6766@6.7417307 + 1026.665@6.730253 6.730253 (1027.6727, 2753.3071)(1028.6755, 1876.0714)(1044.704, 14478.15)(1049.6553, 3738.1743)(1050.6588, 3260.95)(1051.6698, 5077.1006)(1052.6747, 3894.6267)(1053.6848, 3748.72) 18 1026.665 1026.665@6.730253 + 1032.7107@6.7273417 6.7273417 (1033.7178, 4089.9158)(1034.7198, 2389.2483)(1035.7239, 2057.925)(1055.7015, 28379.47)(1056.7039, 18247.08)(1057.7104, 7072.95)(1058.7, 3184.25) 14 1032.7107 1032.7107@6.7273417 + C28 H47 O7 6.726187 [ C28 H47 O7, mfg=96.75, overall=96.75 ] (991.6716, 20709.223)(992.6748, 11076.956)(993.67773, 3897.051)(994.67914, 1143.6766)(1013.6534, 28122.957)(1014.65656, 15398.692)(1015.6691, 26106.22)(1016.67377, 14189.897)(1017.6852, 16815.76)(496.33957, 3799171.5)(497.34296, 1004091.8)(498.34576, 182537.27)(499.34818, 25598.424)(500.3509, 2253.6243)(518.3222, 342603.56)(519.3254, 98151.414) 37 495.3323 C28 H47 O7 + D-Alanine + 6.7376966 6.7376966 C00133 D-Alanine [ C3 H7 N O2, mfg=98.05, db=98.04, overall=98.05, CAS ID=338-69-2, KEGG ID=C00133, HMP ID=HMDB01310, METLIN ID=58035 ] 338-69-2 (90.05495, 59383.957)(91.05838, 2850.2688)(92.06071, 1271.2933) 36 89.0477 D-Alanine + 6.7376966 HMDB01310 + 1145.6696@6.7330256 6.7330256 (1146.6763, 2262.525)(1147.6718, 1077.77)(1148.6632, 1081.94)(1168.6628, 2669.62)(1169.6755, 2069.14)(1170.6862, 1527.29) 2 1145.6696 1145.6696@6.7330256 + C28 H45 O6 6.726868 [ C28 H45 O6, mfg=91.85, overall=91.85 ] (478.32855, 7725.761)(479.33224, 2214.08)(480.33472, 861.1541) 36 477.3212 C28 H45 O6 + 852.4935@6.76875 6.76875 (853.5054, 2362.2048)(854.50995, 1822.2776)(855.5117, 1455.1125) 4 852.4935 852.4935@6.76875 + 916.5116@6.729 6.729 (917.5189, 3879.41) 1 916.5116 916.5116@6.729 + 884.9982@6.729 6.729 (886.0055, 5563.5)(887.0116, 3316.3)(888.0156, 1539.81) 1 884.9982 884.9982@6.729 + 598.4318@6.693839 6.693839 (599.4386, 5954.132)(600.4415, 3289.095)(601.4381, 1483.315)(621.4244, 1530.74) 5 598.4318 598.4318@6.693839 + C27 H44 Cl N8 O 6.7268953 [ C27 H44 Cl N8 O, mfg=82.73, overall=82.73 ] (1085.6536, 18262.17)(1086.6584, 11639.635)(1087.6697, 14948.965)(532.3372, 15831.86)(533.34076, 4988.2183)(534.34863, 4994.17)(535.3528, 682.95) 21 531.3299 C27 H44 Cl N8 O + 1074.7529@6.734126 6.734126 (1075.7596, 2677.836)(1076.7618, 1844.4629)(1097.7384, 3775.67)(1098.7454, 2021.48)(1099.7515, 1448.14) 10 1074.7529 1074.7529@6.734126 + 1150.6895@6.758904 6.758904 (1151.6974, 1702.0499)(1152.692, 1832.4565)(1153.7076, 1819.2) 3 1150.6895 1150.6895@6.758904 + 644.3385@6.8315 6.8315 (645.34625, 5152.441)(646.34955, 1890.7753) 21 644.3385 644.3385@6.8315 + 646.4316@6.73 6.73 (647.4389, 7825.34)(648.4413, 3431.49)(649.452, 2071.18) 1 646.4316 646.4316@6.73 + 814.9966@6.76363 6.76363 (816.00433, 7088.9736)(817.0104, 15869.51) 9 814.9966 814.9966@6.76363 + C34 H44 Cl N O5 6.7271976 [ C34 H44 Cl N O5, mfg=79.90, overall=39.95 ] (1163.5938, 642.61)(582.2961, 13078.168)(583.3001, 4738.379)(584.31006, 4513.6333)(585.31726, 1302.7799) 34 581.2883 C34 H44 Cl N O5 + C30 H59 N5 O S3 6.7311444 [ C30 H59 N5 O S3, mfg=88.88, overall=88.88 ] (602.3925, 46798.887)(603.396, 16243.828)(604.40576, 9549.087)(605.4102, 2678.6045) 37 601.3851 C30 H59 N5 O S3 + 778.996@6.729058 6.729058 (780.0036, 10028.231)(781.00684, 3962.8445)(801.9897, 2081.56)(802.9968, 1082.89)(804.0033, 1763.35)(805.0106, 1337.16) 24 778.996 778.996@6.729058 + 828.5058@6.807597 6.807597 (829.50256, 4625.7324)(830.50336, 3297.205)(831.5075, 3361.49) 4 828.5058 828.5058@6.807597 + 802.9964@6.72857 6.72857 (1606.9882, 1010.6)(1628.982, 1355.23)(1629.9891, 1212.98)(804.0037, 13832.721)(805.0091, 8630.086)(806.0186, 9581.959)(821.0328, 1605.6887)(822.0455, 1292.61) 33 802.9964 802.9964@6.72857 + C31 H64 N2 O4 S4 6.740912 [ C31 H64 N2 O4 S4, mfg=77.73, overall=77.73 ] (657.3825, 6655.5386)(658.38574, 3306.792)(659.3775, 2397.97) 32 656.3754 C31 H64 N2 O4 S4 + 1051.1628@6.7305937 6.7305937 (1052.1709, 5909.26)(1053.1775, 2885.4053)(1054.1862, 4853.6187)(1074.1559, 9370.04)(1075.164, 5086.15)(1076.1714, 9378.48)(1077.1815, 6569.65) 22 1051.1628 1051.1628@6.7305937 + 930.5291@6.7198124 6.7198124 (931.53503, 1932.48)(932.51886, 1382.28) 2 930.5291 930.5291@6.7198124 + 1170.703@6.8274302 6.8274302 (1171.7076, 3488.0303)(1172.7094, 2480.3215)(1173.7194, 1958.08) 6 1170.703 1170.703@6.8274302 + 724.3626@6.736779 6.736779 (725.3728, 3387.4976)(726.376, 1770.6768) 4 724.3626 724.3626@6.736779 + 531.8322@6.729526 6.729526 (1064.6736, 9896.572)(532.8391, 5779.9004)(533.8423, 1214.8821) 27 531.8322 531.8322@6.729526 + 852.0101@6.732 6.732 (853.0173, 8965.14)(854.0221, 3208.36)(855.0078, 2438.09) 1 852.0101 852.0101@6.732 + 827.0036@6.7323446 6.7323446 (1654.9907, 811.98663)(828.0082, 8552.75)(829.0123, 5174.215)(830.0149, 3540.008)(831.0221, 2105.268)(832.0122, 829.55) 33 827.0036 827.0036@6.7323446 + 1041.6815@6.759513 6.759513 (1042.6881, 46533.84)(1043.6979, 28158.492)(1044.7042, 13358.676) 10 1041.6815 1041.6815@6.759513 + C23 H49 N8 O9 S 6.7464747 [ C23 H49 N8 O9 S, mfg=86.05, overall=86.05 ] (1249.6643, 1612.08)(1250.6722, 1107.16)(614.3399, 12755.932)(615.34344, 3942.1824)(616.3506, 1814.6984)(636.3261, 924.92) 32 613.3327 C23 H49 N8 O9 S + 1123.1776@6.7328677 6.7328677 (1124.185, 3872.5134)(1125.1915, 2300.0334)(1126.1895, 2644.8452)(1127.1846, 1638.99) 3 1123.1776 1123.1776@6.7328677 + 1204.6812@6.734 6.734 (1205.6884, 4372.19)(1206.6932, 2852.94)(1207.684, 1426.55) 1 1204.6812 1204.6812@6.734 + 681.3237@6.7346516 6.7346516 (682.33014, 3161.205)(683.3337, 1726.4135)(684.3469, 1114.55)(704.314, 670.28) 6 681.3237 681.3237@6.7346516 + 1082.7208@6.737261 6.737261 (1083.7266, 6857.476)(1084.7234, 4367.134)(1085.7101, 4519.965)(1086.6917, 3240.39)(1087.6833, 2050.63)(1105.7017, 1929.59) 11 1082.7208 1082.7208@6.737261 + C31 H41 N7 O2 + 6.739948 6.739948 [ C31 H41 N7 O2, mfg=77.02, overall=77.02 ] (1087.6707, 46431.117)(1088.6748, 28496.463)(1089.6848, 97074.11)(1090.6882, 88728.98)(1091.697, 61240.86)(1092.702, 29500.53)(1093.7108, 16733.73)(1104.7017, 2672.42)(1105.7056, 2459.03)(1106.7101, 1827.68)(1109.6575, 1396.82)(1110.6632, 1006.85)(1111.683, 872.67)(544.3387, 2876380.2)(545.3428, 865292.3)(546.3532, 2059160.6)(547.35724, 578974.75)(548.3687, 197990.67)(549.3728, 47629.684)(566.3219, 313024.06)(567.325, 98415.23) 34 543.3316 C31 H41 N7 O2 + 6.739948 + 1146.6792@6.7254405 6.7254405 (1147.6796, 2785.25)(1148.6793, 2324.34)(1149.6793, 1955.0067)(1150.6614, 607.85)(1151.6628, 286.23) 3 1146.6792 1146.6792@6.7254405 + 1122.6833@6.7380176 6.7380176 (1123.6876, 3331.5764)(1124.6868, 2440.7554)(1125.6887, 2608.3215)(1126.7089, 1768.8)(1105.6653, 3012.74)(1106.665, 2272.6748)(1107.6635, 2612.375)(1108.6683, 2257.04)(1140.7155, 1604.21)(1145.6735, 1734.3477)(1146.6625, 1412.2075)(1147.662, 1300.96) 9 1122.6833 1122.6833@6.7380176 + LysoPE(0:0/22:1(13Z)) 6.736052 LysoPE(0:0/22:1(13Z)) [ C27 H54 N O7 P, db=78.46, overall=39.23, HMP ID=HMDB11491, METLIN ID=62279 ] (1093.7119, 9063.514)(1094.715, 4485.9443)(1095.7246, 3336.7708)(1096.7241, 1406.3467)(1097.7434, 3029.265)(536.37054, 23808.898)(537.37396, 7444.7476)(558.35034, 3464.599)(559.3535, 1267.6388) 37 535.3632 LysoPE(0:0/22:1(13Z)) HMDB11491 + 793.0118@6.7376933 6.7376933 (1587.0219, 1209.09)(1609.0167, 1477.9999)(1610.0188, 1439.074)(1611.0327, 1674.12)(794.0192, 24051.295)(795.0227, 9225.403)(796.0259, 1402.3468) 35 793.0118 793.0118@6.7376933 + 1147.1825@6.738 6.738 (1148.1897, 4915.29)(1149.1932, 2727.1)(1150.1895, 1563.9) 1 1147.1825 1147.1825@6.738 + 793.5134@6.7371907 6.7371907 (1588.0347, 1591.73)(794.52106, 20652.893)(795.52356, 3613.2747)(796.522, 1157.885) 36 793.5134 793.5134@6.7371907 + 1136.6937@6.7200484 6.7200484 (1137.6952, 5530.779)(1138.6978, 3135.3748)(1139.6987, 2908.83)(1140.7012, 1486.59)(1141.7131, 2465.5151)(1142.7133, 295.44) 11 1136.6937 1136.6937@6.7200484 + 1098.6692@6.7408805 6.7408805 (1099.6768, 5392.017)(1100.6816, 4189.12)(1101.6865, 4310.8604)(1116.6982, 3199.61)(1117.7078, 3386.1)(1118.7122, 1927.64)(1121.6785, 3534.66)(1122.6852, 2401.65) 7 1098.6692 1098.6692@6.7408805 + 792.0027@6.752398 6.752398 (1585.0143, 2269.1533)(1586.0181, 1997.94)(1587.0273, 1823.9199)(793.01044, 6566.626)(794.017, 3788.46) 14 792.0027 792.0027@6.752398 + 1074.6633@6.739281 6.739281 (1075.6724, 6731.1157)(1076.6759, 6443.854)(1077.6855, 7024.884)(1097.6583, 3975.26)(1098.669, 3969.42)(1099.6763, 3779.95) 12 1074.6633 1074.6633@6.739281 + 626.463@6.7095947 6.7095947 (627.4685, 8608.0205)(628.4772, 4802.84)(629.4679, 3047.83) 3 626.463 626.463@6.7095947 + 603.3987@6.737478 6.737478 (604.40656, 15775.097)(605.41064, 4948.04) 6 603.3987 603.3987@6.737478 + alpha-D-galactosyl undecaprenyl diphosphate 6.7381043 C04507 alpha-D-galactosyl undecaprenyl diphosphate [ C61 H102 O12 P2, db=60.83, overall=60.83, Lipid ID=LMPR03030010, KEGG ID=C04507, METLIN ID=53857 ] (1089.6846, 71210.67)(1090.6881, 40526.816)(1091.6974, 32719.436)(1092.702, 16043.416)(1093.714, 26644.66) 31 1088.6772 alpha-D-galactosyl undecaprenyl diphosphate + LMPR03030010 1075.1666@6.734685 6.734685 (1076.1729, 7085.144)(1077.182, 4491.376)(1078.1877, 6655.74)(1093.1938, 1775.73)(1094.1962, 1646.28)(1095.1716, 1691.71)(1098.1576, 5523.3237)(1099.1683, 4071.0066)(1100.1725, 6619.1772)(1101.1809, 4531.58)(1102.1871, 3991.62) 16 1075.1666 1075.1666@6.734685 + 1089.1797@6.738956 6.738956 (1090.1893, 8394.3955)(1091.1937, 4948.124)(1092.199, 2964.812)(1093.2014, 1408.65) 17 1089.1797 1089.1797@6.738956 + 840.0126@6.7495103 6.7495103 (841.0182, 4135.874)(842.01605, 2497.43)(843.02246, 2524.1099) 16 840.0126 840.0126@6.7495103 + 1088.1742@6.748498 6.748498 (1089.1792, 4338.791)(1090.1677, 1717.95)(1091.1611, 1500.57) 10 1088.1742 1088.1742@6.748498 + 817.5137@6.7405787 6.7405787 (1636.0302, 1548.01)(1637.0446, 1449.74)(1638.0471, 1305.69)(818.5207, 16185.893)(819.5265, 6209.3643)(820.52484, 2670.0972)(821.5236, 897.5239)(840.5028, 959.91504)(841.4849, 831.42) 30 817.5137 817.5137@6.7405787 + 1018.6954@6.735626 6.735626 (1019.7028, 80970.766)(1020.7063, 45096.527)(1021.7091, 14838.611)(1022.7116, 3692.806)(1023.7147, 1030.6714)(1041.6847, 100823.516)(1042.6877, 55656.59)(1043.6978, 39508.84)(1044.7039, 18701.207) 36 1018.6954 1018.6954@6.735626 + 841.0198@6.7438426 6.7438426 (842.0262, 6069.77)(843.0282, 2958.3809)(844.0243, 1962.1699) 22 841.0198 841.0198@6.7438426 + 818.0169@6.738546 6.738546 (819.0243, 12235.395)(820.03094, 4037.6)(821.03564, 2365.54) 2 818.0169 818.0169@6.738546 + 1113.1857@6.737803 6.737803 (1114.1923, 3184.8857)(1115.1914, 2109.9736)(1116.1797, 1639.0499) 9 1113.1857 1113.1857@6.737803 + 1058.7225@6.745097 6.745097 (1059.729, 2407.2483)(1060.7308, 1459.502)(1061.7466, 6810.5947)(1062.7472, 4317.9775)(1063.7491, 1772.6) 11 1058.7225 1058.7225@6.745097 + 816.5055@6.7398295 6.7398295 (1634.0303, 994.31)(1635.0361, 1171.23)(817.5126, 7435.8193)(818.5185, 2988.35)(819.5243, 1326.99)(839.4944, 1448.02) 21 816.5055 816.5055@6.7398295 + C37 H70 N O4 S2 6.749899 [ C37 H70 N O4 S2, mfg=71.05, overall=71.05 ] (657.48035, 2502.3687)(658.48663, 1254.956)(659.48303, 983.8921) 26 656.4731 C37 H70 N O4 S2 + 1325.8492@6.7529597 6.7529597 (1326.8585, 2562.745)(1327.8674, 4316.81)(1328.8745, 5703.2)(1329.8813, 2791.54) 4 1325.8492 1325.8492@6.7529597 + 1137.1982@6.745 6.745 (1138.2054, 7344.17)(1139.2028, 3455.61) 1 1137.1982 1137.1982@6.745 + 1112.1748@6.7427835 6.7427835 (1113.1858, 3634.42)(1114.193, 1551.74)(1115.1984, 949.63)(1095.1683, 1568.27)(1096.1676, 1497.65)(1097.1738, 1214.26) 2 1112.1748 1112.1748@6.7427835 + 1055.195@6.742428 6.742428 (1056.202, 14445.922)(1057.2048, 4121.647)(1058.2078, 1203.42) 35 1055.195 1055.195@6.742428 + 1350.8615@6.743828 6.743828 (1351.8683, 4597.691)(1352.8733, 3283.45)(1353.8815, 2035.2471)(1373.8503, 1064.59)(1374.8711, 1071.1) 10 1350.8615 1350.8615@6.743828 + 1564.0385@6.741403 6.741403 (1565.045, 3868.485)(1566.0488, 3202.702)(1567.0531, 1667.1859) 12 1564.0385 1564.0385@6.741403 + 1078.6917@6.7408233 6.7408233 (1079.6993, 13867.937)(1080.7043, 9854.384)(1081.7107, 6091.649)(1082.7131, 2833.5068)(1096.7256, 2086.335) 33 1078.6917 1078.6917@6.7408233 + 1397.3671@6.747 6.747 (1398.3744, 1722.42)(1399.3812, 1941.65) 1 1397.3671 1397.3671@6.747 + 1079.1945@6.7449346 6.7449346 (1080.2015, 13919.124)(1081.207, 6785.5312)(1082.2114, 2650.0117)(1083.196, 1092.13)(1102.1908, 1224.84) 32 1079.1945 1079.1945@6.7449346 + 1374.3676@6.749 6.749 (1375.3749, 3769.3)(1376.3802, 3657.2) 1 1374.3676 1374.3676@6.749 + 1136.1887@6.749 6.749 (1137.196, 3305.42) 1 1136.1887 1136.1887@6.749 + 1350.3567@6.7431374 6.7431374 (1351.366, 3821.487)(1352.3711, 3760.933)(1353.3759, 2204.9707)(1354.3827, 1033.89)(1373.3615, 2266.73)(1374.3682, 2530.23) 14 1350.3567 1350.3567@6.7431374 + 1103.2036@6.751945 6.751945 (1104.2092, 5514.8643)(1105.2039, 2528.0752) 8 1103.2036 1103.2036@6.751945 + 1349.8542@6.7444973 6.7444973 (1350.86, 2574.8389)(1351.8672, 3823.565)(1352.8726, 2306.7651)(1353.8828, 1025.94) 8 1349.8542 1349.8542@6.7444973 + 807.5292@6.7505903 6.7505903 (1616.0613, 1575.6799)(808.5365, 40156.11)(809.5397, 6789.005)(810.5457, 1541.4083) 29 807.5292 807.5292@6.7505903 + 1102.7004@6.740651 6.740651 (1103.7035, 4733.0815)(1104.7046, 2868.0366)(1105.7003, 2186.2515)(1125.6971, 1834.6866)(1126.695, 1506.3467)(1127.6805, 2118.4634)(1128.6793, 1885.4)(1129.6862, 1194.86) 23 1102.7004 1102.7004@6.740651 + 1373.8617@6.75 6.75 (1374.8689, 2448.86)(1375.8757, 3934.13)(1376.881, 2445.8) 1 1373.8617 1373.8617@6.75 + 807.0266@6.7518077 6.7518077 (808.0337, 51866.06)(809.03784, 18005.307)(810.0395, 2169.2485) 31 807.0266 807.0266@6.7518077 + 1315.871@6.750585 6.750585 (1316.875, 3991.2642)(1317.8817, 4334.8896)(1318.8851, 1765.098)(1338.8608, 5498.455)(1339.8684, 6673.535)(1340.8752, 8640.314)(1341.8818, 9553.54)(1342.887, 5127.59)(1343.8934, 1450.05) 13 1315.871 1315.871@6.750585 + 1340.8748@6.7489786 6.7489786 (1341.8816, 7708.117)(1342.8868, 4246.53)(1343.8898, 1825.1635) 7 1340.8748 1340.8748@6.7489786 + 1610.0223@6.7472215 6.7472215 (1611.0302, 2514.339)(1612.0353, 2307.6711)(1613.0444, 4250.69)(1614.0494, 3561.6624)(1615.0558, 2226.0784)(1616.0605, 1258.9366)(1633.0157, 1099.66)(1634.017, 1057.84) 15 1610.0223 1610.0223@6.7472215 + 1054.1866@6.7490864 6.7490864 (1055.194, 6746.602)(1056.2021, 4859.83)(1072.2186, 972.29004) 32 1054.1866 1054.1866@6.7490864 + 672.37@6.766469 6.766469 (673.378, 6872.174)(674.3857, 2709.1606)(675.38446, 1713.8701)(690.4029, 1660.88) 22 672.37 672.37@6.766469 + C30 H51 O7 + 6.751893 6.751893 [ C30 H51 O7, mfg=95.73, overall=95.73 ] (1047.7338, 343550.25)(1048.7373, 175286.31)(1049.7402, 59353.176)(1050.7427, 14473.305)(1051.7437, 3440.8198)(1052.741, 1061.69)(1069.7156, 254420.33)(1070.7191, 133742.98)(1071.7224, 42074.785)(1072.7255, 10873.906)(1073.7288, 2788.8513)(1074.7202, 544.35)(524.3707, 9774811.0)(525.3743, 2712570.5)(526.3771, 490236.7)(527.37994, 73713.92)(528.38226, 9477.701)(529.3825, 964.90765)(546.353, 1367895.1)(547.3571, 396037.97)(548.3671, 159029.12)(549.3724, 42842.38) 37 523.3633 C30 H51 O7 + 6.751893 + C32 H57 N2 O7 6.751137 [ C32 H57 N2 O7, mfg=97.91, overall=97.91 ] (582.4239, 194197.0)(583.4271, 62402.086)(584.4297, 12626.558)(585.4326, 1924.8511) 37 581.4167 C32 H57 N2 O7 + 1077.6865@6.751426 6.751426 (1078.693, 9156.102)(1079.6993, 17242.06)(1080.7051, 10533.37)(1081.7118, 5398.83)(1100.6772, 2949.07)(1101.688, 2694.2)(1102.6976, 2590.65) 25 1077.6865 1077.6865@6.751426 + 1363.8763@6.755 6.755 (1364.8837, 5430.28)(1365.8907, 5561.99)(1366.8926, 2435.38) 1 1363.8763 1363.8763@6.755 + 1339.3646@6.751571 6.751571 (1340.3724, 4954.6978)(1341.3793, 6276.656)(1342.384, 5387.231)(1343.3907, 2116.8857)(1344.3805, 1014.78503) 16 1339.3646 1339.3646@6.751571 + 1069.2097@6.7527413 6.7527413 (1070.2169, 36888.87)(1071.2206, 9536.063)(1072.2186, 1780.4633)(1092.1901, 908.84) 12 1069.2097 1069.2097@6.7527413 + 1360.8519@6.7451816 6.7451816 (1361.8568, 2850.5967)(1362.8623, 2342.6433)(1363.8671, 2218.8398) 3 1360.8519 1360.8519@6.7451816 + 1078.1871@6.7516475 6.7516475 (1079.1941, 10195.91)(1080.2024, 12767.262)(1081.2065, 6968.457)(1082.2113, 2042.7167)(1101.1824, 1152.07) 26 1078.1871 1078.1871@6.7516475 + C31 H53 O S2 6.751973 [ C31 H53 O S2, mfg=85.64, overall=85.64 ] (506.3601, 13115.722)(507.36343, 4042.0356)(508.3699, 2049.6938) 37 505.3528 C31 H53 O S2 + C26 H51 N5 O2 S3 6.750389 [ C26 H51 N5 O2 S3, mfg=97.45, overall=97.45 ] (562.3269, 40716.62)(563.33026, 12592.726)(564.32495, 6596.7563)(565.3323, 1887.1278) 36 561.3196 C26 H51 N5 O2 S3 + 1102.195@6.753214 6.753214 (1103.201, 3507.9324)(1104.2074, 2912.7537)(1105.2009, 1470.77)(1125.1877, 1118.285)(1126.1965, 1044.81) 18 1102.195 1102.195@6.753214 + 1362.3644@6.7494783 6.7494783 (1363.3691, 3079.325)(1364.3792, 5683.27)(1365.3854, 5945.16)(1366.393, 4183.71) 2 1362.3644 1362.3644@6.7494783 + 515.2982@6.7537384 6.7537384 (516.3059, 4918.7446)(517.3088, 2200.7876) 8 515.2982 515.2982@6.7537384 + 1044.711@6.7576165 6.7576165 (1045.7183, 186706.08)(1046.7217, 103683.3)(1047.7339, 267951.12)(1048.7374, 145684.83)(1049.7401, 48155.53)(1050.7427, 11711.673)(1051.7432, 2593.6604)(1062.7423, 4452.75)(1067.7007, 221911.67)(1068.705, 137553.11)(1069.7155, 260255.97)(1070.7195, 134510.2)(1071.723, 43069.203)(1072.7266, 11551.742)(1073.733, 3514.3203)(1074.7413, 830.46) 35 1044.711 1044.711@6.7576165 + C21 H46 Cl N11 O7 6.7628565 [ C21 H46 Cl N11 O7, mfg=81.47, overall=81.47 ] (600.3298, 20650.72)(601.33325, 7090.318)(602.3452, 8296.019)(603.3493, 2695.3442)(604.354, 1267.2849)(622.3123, 2499.4)(623.3149, 1637.94)(624.324, 944.09) 36 599.3222 C21 H46 Cl N11 O7 + 1338.8595@6.754689 6.754689 (1339.8671, 3964.7903)(1340.874, 5896.4897)(1341.8811, 5643.93)(1342.8882, 2283.76) 7 1338.8595 1338.8595@6.754689 + 1590.0529@6.757922 6.757922 (1591.0596, 7431.404)(1592.065, 6359.7656)(1593.0739, 8215.218)(1594.0795, 6143.4375)(1595.0825, 2662.4077)(1596.0857, 1244.44) 20 1590.0529 1590.0529@6.757922 + 869.5302@6.762807 6.762807 (870.5326, 3335.0603)(871.54144, 2158.1028)(872.54803, 1308.2866) 8 869.5302 869.5302@6.762807 + C27 H39 N7 O2 6.757443 [ C27 H39 N7 O2, mfg=80.36, overall=80.36 ] (494.3237, 84848.0)(495.32697, 24126.63)(516.30615, 4498.1377)(517.30835, 2066.8435) 37 493.3164 C27 H39 N7 O2 + 1315.364@6.7503686 6.7503686 (1316.3713, 3471.621)(1317.3789, 4081.3499)(1318.3839, 2528.1682) 20 1315.364 1315.364@6.7503686 + 806.5214@6.7602997 6.7602997 (807.52893, 33245.723)(808.53625, 28695.992)(809.54083, 4902.3813)(810.5532, 449.99)(829.511, 1630.865) 36 806.5214 806.5214@6.7602997 + 1328.373@6.7618995 6.7618995 (1329.3795, 9561.203)(1330.3866, 13150.359)(1331.3937, 13005.682)(1332.3988, 6193.6104)(1333.4023, 1613.5541) 25 1328.373 1328.373@6.7618995 + DL-Serine 6.7850647 C00716 DL-Serine [ C3 H7 N O3, mfg=68.50, db=68.49, overall=68.49, CAS ID=302-84-1, KEGG ID=C00716, METLIN ID=65527 ] 302-84-1 (106.049675, 15105.346)(107.053505, 1828.0199)(88.03935, 1794.205) 31 105.0424 DL-Serine + 806.0191@6.7614183 6.7614183 (807.0267, 41730.688)(808.0332, 38035.324)(809.0376, 11963.023)(810.0383, 1123.8999) 36 806.0191 806.0191@6.7614183 + 1328.8748@6.758981 6.758981 (1329.8822, 9767.825)(1330.8896, 12209.376)(1331.8976, 10433.92)(1332.9027, 2728.201)(1333.9216, 582.26) 19 1328.8748 1328.8748@6.758981 + 1338.3572@6.7551336 6.7551336 (1339.3678, 4185.064)(1340.3726, 5238.68)(1341.3783, 6705.0234)(1342.3828, 4994.613)(1343.39, 1894.6066) 8 1338.3572 1338.3572@6.7551336 + 1067.195@6.7645507 6.7645507 (1068.2019, 23008.082)(1069.2095, 28042.932)(1070.2166, 18859.39)(1071.2206, 4012.595)(1072.2078, 836.365) 29 1067.195 1067.195@6.7645507 + C29 H41 N7 O + 6.7687273 6.7687273 [ C29 H41 N7 O, mfg=79.34, overall=79.34 ] (504.34393, 5367.5884)(505.34772, 1746.3309) 34 503.3367 C29 H41 N7 O + 6.7687273 + C38 H61 O11 6.768018 [ C38 H61 O11, mfg=93.40, overall=93.40 ] (1387.8516, 2089.59)(694.4289, 25096.691)(695.43225, 10044.047)(696.43854, 3563.2568)(676.4203, 2920.6099)(677.42285, 1159.5376)(716.4125, 9596.648)(717.4168, 3815.3774)(718.427, 2586.8137)(719.4343, 451.82666) 34 693.4219 C38 H61 O11 + C29 H43 N7 O2 + 6.7690563 6.7690563 [ C29 H43 N7 O2, mfg=78.30, overall=78.30 ] (1043.7017, 102113.99)(1044.7054, 54575.574)(1065.684, 112901.77)(1066.6884, 68830.055)(1067.7, 49571.75)(522.35175, 5956585.0)(523.3583, 1371145.6)(544.33777, 436440.6)(545.341, 135534.6) 37 521.345 C29 H43 N7 O2 + 6.7690563 + 805.5136@6.7704606 6.7704606 (1612.0348, 1763.57)(806.52075, 23908.504)(828.5059, 1133.57) 31 805.5136 805.5136@6.7704606 + 805.0113@6.7644286 6.7644286 (1611.0311, 1000.96)(806.0187, 29036.686)(807.0252, 3197.55)(808.0122, 2610.45)(828.0056, 1256.91)(829.0083, 1349.6)(830.0107, 1365.14) 34 805.0113 805.0113@6.7644286 + Fosinopril 6.7719574 C07016 Fosinopril [ C30 H46 N O7 P, db=77.74, overall=38.87, CAS ID=98048-97-6, KEGG ID=C07016, METLIN ID=2971 ] 98048-97-6 (564.30804, 26469.736)(565.3117, 8356.485) 15 563.2998 Fosinopril + C31 H49 N9 O2 6.77046 [ C31 H49 N9 O2, mfg=75.85, overall=75.85 ] (580.40814, 100977.84)(581.4112, 30804.62) 37 579.4009 C31 H49 N9 O2 + C17 H31 N22 O 6.772392 [ C17 H31 N22 O, mfg=75.83, overall=75.83 ] (560.31165, 22790.06)(561.31537, 7304.3896) 36 559.3033 C17 H31 N22 O + 1120.6667@6.7619934 6.7619934 (1121.6746, 2993.8562)(1122.6787, 2200.159)(1123.6877, 2701.0625)(1124.6906, 1966.9141)(1125.6975, 2231.9524)(1138.7014, 2276.495)(1139.7, 1299.845)(1140.682, 888.31)(1143.6582, 1357.645)(1144.665, 1237.085) 19 1120.6667 1120.6667@6.7619934 + LysoPE(0:0/18:0) + 6.773583 6.773583 LysoPE(0:0/18:0) [ C23 H48 N O7 P, db=98.77, overall=49.38, HMP ID=HMDB11129, METLIN ID=61992 ] (482.32385, 19769.947)(483.32706, 5331.552)(484.3304, 1281.8357)(504.30542, 1626.874)(505.30896, 721.96497) 37 481.3165 LysoPE(0:0/18:0) + 6.773583 HMDB11129 + 1074.6833@6.7730823 6.7730823 (1075.6869, 6400.3154)(1076.6927, 5433.4614)(1077.6952, 4597.4697)(1097.6766, 5775.99)(1098.6826, 4620.58)(1099.6866, 4185.13)(1100.6833, 2880.88) 18 1074.6833 1074.6833@6.7730823 + 1586.0208@6.77367 6.77367 (1587.0275, 4369.7764)(1588.0332, 3395.3145)(1589.0442, 5780.8447)(1590.0493, 5431.184)(1591.0588, 7869.96) 10 1586.0208 1586.0208@6.77367 + 1032.71@6.7740765 6.7740765 (1033.7168, 9646.1045)(1034.7208, 5131.1187)(1035.7236, 2116.0632)(1036.7263, 542.38)(1055.6996, 12997.013)(1056.7026, 8331.13)(1057.6969, 4844.897) 24 1032.71 1032.71@6.7740765 + 1084.6512@6.7760005 6.7760005 (1085.6578, 10290.291)(1086.6626, 6880.8623)(1087.6714, 3989.3901)(1088.6731, 2240.6)(1067.6273, 4529.78)(1068.6349, 2798.72) 12 1084.6512 1084.6512@6.7760005 + Gibberellin A3 6.7760186 C01699 Gibberellin A3 [ C19 H22 O6, mfg=95.28, db=95.26, overall=95.27, KEGG ID=C01699, METLIN ID=41211 ] (347.14993, 75393.766)(348.1532, 18032.635)(349.15613, 3359.7295)(350.1579, 394.92) 30 346.1426 Gibberellin A3 + 1132.6534@6.7372594 6.7372594 (1133.663, 6124.4185)(1134.666, 4359.299)(1135.6732, 7333.386)(1136.678, 6366.974)(1137.6886, 5214.18)(1138.6864, 2948.36)(1139.6953, 4189.487)(1150.6852, 959.5733)(1151.6844, 1050.0599)(1152.6884, 997.77) 17 1132.6534 1132.6534@6.7372594 + 1097.6714@6.7602186 6.7602186 (1098.6753, 6373.8086)(1099.6833, 5476.687)(1100.6846, 3961.6035)(1101.6852, 4520.11)(1102.6953, 3845.94)(1120.6636, 2079.6199) 20 1097.6714 1097.6714@6.7602186 + 1357.8373@6.7605205 6.7605205 (1358.8527, 1472.6901)(1359.8568, 1634.5668)(1360.8636, 1610.69) 3 1357.8373 1357.8373@6.7605205 + 1064.1718@6.7759967 6.7759967 (1065.1779, 11343.767)(1066.185, 13198.272)(1067.1941, 17099.97) 12 1064.1718 1064.1718@6.7759967 + 1042.6948@6.7706194 6.7706194 (1043.7017, 119250.37)(1044.7054, 63062.734)(1045.7183, 164413.19)(1046.7217, 89933.78)(1047.7336, 199538.11)(1065.6843, 153127.28)(1066.6887, 91792.055) 11 1042.6948 1042.6948@6.7706194 + C35 H42 Cl N6 O 6.763474 [ C35 H42 Cl N6 O, mfg=87.93, overall=87.93 ] (598.3148, 7147.582)(599.31793, 2570.2542)(600.325, 2535.9001)(601.3326, 1041.33) 33 597.3069 C35 H42 Cl N6 O + C22 H53 N11 O4 S 6.781616 [ C22 H53 N11 O4 S, mfg=92.92, overall=92.92 ] (568.4075, 9211.864)(569.41046, 2974.3547)(570.41174, 1096.39) 34 567.4004 C22 H53 N11 O4 S + C25 H53 N2 O4 S3 6.786047 [ C25 H53 N2 O4 S3, mfg=84.56, overall=84.56 ] (1083.6431, 12810.42)(1084.646, 8050.51)(542.32227, 739707.6)(543.3257, 211583.61)(544.3365, 148787.42)(564.3094, 11985.5)(565.3129, 4429.95)(566.3249, 4706.77) 31 541.3151 C25 H53 N2 O4 S3 + 1118.6686@6.782578 6.782578 (1119.6665, 3108.1433)(1120.6708, 2128.8232)(1121.6763, 3774.53) 3 1118.6686 1118.6686@6.782578 + 835.9888@6.7837543 6.7837543 (836.99176, 2401.3564)(837.9973, 2655.4534)(839.00385, 2874.21) 3 835.9888 835.9888@6.7837543 + 1057.6709@6.7785945 6.7785945 (1058.6775, 2556.7134)(1059.672, 2841.6782)(1060.6798, 4146.007)(1080.6589, 3068.88) 6 1057.6709 1057.6709@6.7785945 + 1080.6539@6.7936654 6.7936654 (1081.6653, 3773.3755)(1082.6713, 2439.5938)(1083.6677, 5253.1675)(1084.666, 3763.0664) 17 1080.6539 1080.6539@6.7936654 + 1323.3326@6.791218 6.791218 (1324.3403, 6914.78)(1325.3384, 6433.69)(1326.3413, 6131.487) 3 1323.3326 1323.3326@6.791218 + LysoPE(0:0/20:0) + 6.7854633 6.7854633 LysoPE(0:0/20:0) [ C25 H52 N O7 P, db=99.90, overall=49.95, HMP ID=HMDB11481, METLIN ID=62269 ] (1041.6844, 96513.48)(1042.6886, 45728.496)(1043.7019, 104752.08)(1044.7057, 55822.438)(510.35547, 518759.25)(511.35852, 147459.6)(512.36115, 26587.717)(513.3646, 3824.7026)(514.3668, 671.58)(532.33704, 37949.68)(533.3404, 11460.923)(534.3355, 15211.766)(535.3377, 7039.2603) 37 509.3482 LysoPE(0:0/20:0) + 6.7854633 HMDB11481 + C25 H51 N6 O8 S 6.7889905 [ C25 H51 N6 O8 S, mfg=97.43, overall=97.43 ] (1213.6875, 784.21497)(596.35565, 121336.43)(597.35913, 37916.51)(598.3598, 12174.683)(599.3622, 2886.2793)(618.3378, 12595.893)(619.3412, 4837.6045)(620.3527, 2729.5835)(621.36414, 1190.2067) 37 595.3484 C25 H51 N6 O8 S + C30 H39 N7 O2 6.7841845 [ C30 H39 N7 O2, mfg=68.22, overall=34.11 ] (530.3228, 5639.936)(531.32697, 2523.6243) 23 529.3157 C30 H39 N7 O2 + 1092.636@6.79531 6.79531 (1093.6465, 8837.091)(1094.6515, 5541.577)(1095.657, 7778.404)(1096.6614, 5621.1963)(1097.6746, 8476.119) 20 1092.636 1092.636@6.79531 + C28 H53 N3 O3 S3 6.77982 [ C28 H53 N3 O3 S3, mfg=87.74, overall=87.74 ] (1151.6555, 1023.28503)(1152.6825, 1024.69)(1153.6863, 1084.24)(1173.6389, 1114.22)(576.32916, 49632.555)(577.3339, 17134.963)(578.34375, 9890.78)(579.3483, 2255.19)(598.31366, 10602.727)(599.31714, 3717.399) 25 575.3221 C28 H53 N3 O3 S3 + C25 H49 N3 O8 S 6.783447 [ C25 H49 N3 O8 S, mfg=89.56, overall=89.56 ] (1103.6567, 1396.5785)(1104.6609, 1080.21)(1120.6681, 1275.83)(1125.6422, 2409.79)(1126.6465, 1910.4939)(1127.6586, 1288.4)(552.3297, 243217.28)(553.33264, 70964.016)(554.3406, 28108.803)(555.3468, 7844.425)(534.3168, 36252.195)(535.32117, 13727.09)(574.312, 26978.914)(575.3156, 8695.032) 34 551.3222 C25 H49 N3 O8 S + 2-oxo-5-amino-pentanoic acid 6.83269 C01110 2-oxo-5-amino-pentanoic acid [ C5 H9 N O3, mfg=76.18, db=76.18, overall=76.18, KEGG ID=C01110, METLIN ID=35853 ] (132.06538, 12120.3545)(133.06949, 1391.0016)(154.048, 5122.2)(155.0478, 573.31) 26 131.0581 2-oxo-5-amino-pentanoic acid + 1028.6792@6.791958 6.791958 (1029.686, 17962.906)(1030.6898, 9880.256)(1031.7001, 9528.003)(1032.703, 5632.4414)(1051.6682, 25347.902)(1052.6726, 15586.15)(1053.6832, 17390.453) 29 1028.6792 1028.6792@6.791958 + 579.3526@6.790475 6.790475 (580.36, 4588.3)(581.3625, 1978.9551) 2 579.3526 579.3526@6.790475 + 1128.6401@6.7898264 6.7898264 (1129.648, 2542.3442)(1130.65, 1744.3342)(1131.6619, 2046.7129)(1132.6631, 1388.28) 10 1128.6401 1128.6401@6.7898264 + 1060.6465@6.7738442 6.7738442 (1061.6538, 157910.38)(1062.6573, 96844.33)(1063.6674, 100628.34)(1064.6731, 48971.188)(1065.6843, 110180.64) 20 1060.6465 1060.6465@6.7738442 + 1061.1486@6.7742157 6.7742157 (1062.1564, 14085.369)(1063.1643, 11529.837)(1064.1708, 12133.187)(1065.177, 3466.49)(1066.1874, 5337.18) 27 1061.1486 1061.1486@6.7742157 + 583.3281@6.7737036 6.7737036 (1167.6345, 712.0)(584.33405, 4715.876)(585.33984, 1603.3339)(586.3215, 5341.343)(587.31903, 1564.6133) 14 583.3281 583.3281@6.7737036 + Gambieric acid B 6.79865 C16886 Gambieric acid B [ C60 H94 O16, db=32.87, overall=32.87, CAS ID=141363-65-7, KEGG ID=C16886, METLIN ID=71408 ] 141363-65-7 (1071.6572, 9911.924)(1072.66, 5488.0273)(1073.6715, 5022.79)(1053.6288, 5464.71)(1054.633, 3965.29)(1055.6368, 3009.71)(1093.6447, 12196.91)(1094.6495, 7601.3667)(1095.6584, 10607.105)(1096.6646, 6901.8647)(1097.6746, 11532.537) 22 1070.6542 Gambieric acid B + 1039.6659@6.7487736 6.7487736 (1040.6738, 106989.06)(1041.6843, 199350.17)(1042.689, 82368.26)(1057.7001, 2605.45)(1058.7004, 1563.09) 6 1039.6659 1039.6659@6.7487736 + C32 H54 Cl N4 O3 6.7947865 [ C32 H54 Cl N4 O3, mfg=73.13, overall=73.13 ] (578.39246, 149563.11)(579.3959, 49012.49)(580.4079, 44563.758) 37 577.3851 C32 H54 Cl N4 O3 + Erythromycin estolate + 6.7943406 6.7943406 C08031 Erythromycin estolate [ C40 H71 N O14, db=57.53, overall=57.53, Lipid ID=LMPK04000015, KEGG ID=C08031, METLIN ID=46764 ] (790.48975, 20194.807)(791.49567, 8073.709)(792.50397, 7036.312)(793.51044, 2386.255)(812.4773, 1943.06) 37 789.4821 Erythromycin estolate + 6.7943406 + LMPK04000015 1076.6222@6.7902412 6.7902412 (1077.6346, 4850.757)(1078.6405, 4059.2344)(1079.648, 4018.1953)(1080.6525, 2327.3936)(1081.6614, 3594.75) 17 1076.6222 1076.6222@6.7902412 + 788.981@6.799258 6.799258 (789.9882, 22998.225)(790.993, 14139.017)(792.0022, 7731.3325)(793.00916, 2195.795) 33 788.981 788.981@6.799258 + 1018.6929@6.803256 6.803256 (1019.69946, 20233.008)(1020.7042, 9788.089)(1021.7065, 3495.1538)(1022.7101, 931.38007)(1041.6837, 152532.02)(1042.6891, 64903.19) 35 1018.6929 1018.6929@6.803256 + C29 H41 N7 O2 + 6.8017373 6.8017373 [ C29 H41 N7 O2, mfg=77.63, overall=77.63 ] (1039.6715, 482769.5)(1040.6748, 268054.12)(1041.6838, 183319.62)(1042.6887, 76513.12)(1061.6538, 157003.6)(1062.6572, 95974.74)(1063.6674, 95532.57)(1064.6721, 41003.457)(1065.6844, 105190.52)(520.3394, 9420827.0)(521.34296, 2689012.2)(542.3219, 577917.4)(543.325, 161370.92) 37 519.3321 C29 H41 N7 O2 + 6.8017373 + 1555.9762@6.804018 6.804018 (1556.9841, 11632.783)(1557.9878, 11604.772)(1558.9944, 7426.6885)(1560.0, 3644.4424)(1561.0095, 2077.944) 29 1555.9762 1555.9762@6.804018 + C26 H51 N3 S3 6.8023214 [ C26 H51 N3 S3, mfg=86.21, overall=86.21 ] (502.32944, 10335.053)(503.33286, 3900.4324)(504.34296, 2246.09)(505.34476, 664.495) 33 501.3218 C26 H51 N3 S3 + 1004.6788@6.8061867 6.8061867 (1005.6863, 8154.835)(1006.69006, 4353.1045)(1007.69275, 2039.8342)(1027.6675, 9514.05)(1028.6726, 4289.7812)(1029.6849, 11809.507)(1030.6886, 6328.1934)(1031.7003, 5712.98) 36 1004.6788 1004.6788@6.8061867 + 1296.3127@6.8058305 6.8058305 (1297.3192, 12747.672)(1298.3229, 14782.379)(1299.3292, 6041.3047)(1300.3357, 2064.683) 16 1296.3127 1296.3127@6.8058305 + 1005.6828@6.8080063 6.8080063 (1006.6899, 5053.65)(1007.69275, 1805.0276)(1028.673, 4830.74) 4 1005.6828 1005.6828@6.8080063 + C17 H29 N22 O 6.7926598 [ C17 H29 N22 O, mfg=79.42, overall=79.42 ] (558.2966, 32463.281)(559.30023, 9501.876)(580.2789, 1928.12) 37 557.2882 C17 H29 N22 O + Gymnodimine + 6.8054833 6.8054833 C20025 Gymnodimine [ C32 H45 N O4, mfg=68.29, db=45.02, overall=56.66, CAS ID=173792-58-0, KEGG ID=C20025, METLIN ID=73510 ] 173792-58-0 (1037.654, 221364.4)(1038.6572, 126728.234)(1039.6704, 233003.75)(1040.6742, 123032.85)(1041.6835, 85905.54)(1042.6886, 40760.133)(1043.7018, 55580.887)(508.33963, 66592.195)(509.3428, 19231.24)(530.322, 5056.527)(531.3256, 1960.43) 37 507.3323 Gymnodimine + 6.8054833 + 1037.148@6.8080397 6.8080397 (1038.1558, 26929.092)(1039.1599, 10310.271)(1040.1691, 3924.28)(1041.1759, 1419.0668) 37 1037.148 1037.148@6.8080397 + 1284.8132@6.812852 6.812852 (1285.8204, 19935.617)(1286.8243, 9390.795)(1287.8313, 2889.2322)(1307.8142, 1540.25) 33 1284.8132 1284.8132@6.812852 + 1014.6645@6.8127747 6.8127747 (1015.67163, 581111.94)(1016.67554, 307106.66)(1017.6797, 113099.25)(1018.6841, 32013.52)(1019.6974, 13409.68)(1037.6536, 197211.75)(1038.6567, 111928.97) 33 1014.6645 1014.6645@6.8127747 + 1284.3116@6.8134904 6.8134904 (1285.3186, 15305.671)(1286.3226, 16584.322)(1287.3274, 5239.2554)(1288.3357, 1826.95)(1307.3108, 2056.63) 30 1284.3116 1284.3116@6.8134904 + 577.3368@6.763976 6.763976 (1177.6499, 633.33)(1178.6385, 897.6)(1179.6473, 569.26)(578.34064, 9878.807)(579.34515, 3264.4827) 20 577.3368 577.3368@6.763976 + 1531.9764@6.815504 6.815504 (1532.9841, 15551.28)(1533.9878, 14744.417)(1534.9929, 8219.752)(1535.9993, 3407.293)(1537.0065, 1240.3025) 37 1531.9764 1531.9764@6.815504 + 2R-amino-butanoic acid + 6.82218 6.82218 C02261 2R-amino-butanoic acid [ C4 H9 N O2, mfg=86.05, db=86.05, overall=86.05, KEGG ID=C02261, METLIN ID=35950 ] (104.07053, 40454.22)(105.073875, 2810.918) 36 103.0632 2R-amino-butanoic acid + 6.82218 + C16 H27 N8 6.822952 [ C16 H27 N8, mfg=70.36, overall=70.36 ] (332.2427, 5113.779)(333.2461, 1575.5575) 15 331.2355 C16 H27 N8 + C25 H4 Cl3 N4 O S3 6.8216257 [ C25 H4 Cl3 N4 O S3, mfg=47.61, overall=47.61 ] (577.8685, 3324.9233) 20 576.8615 C25 H4 Cl3 N4 O S3 + 1002.6647@6.8201976 6.8201976 (1003.66895, 3604.3657)(1004.67377, 2084.2146)(1025.654, 34098.812)(1026.6576, 22853.729)(1027.6665, 9789.298)(1028.6726, 3102.474) 36 1002.6647 1002.6647@6.8201976 + 776.9807@6.819493 6.819493 (777.9881, 24747.47)(778.99194, 10489.082)(779.9997, 2824.6514)(781.0069, 764.67) 36 776.9807 776.9807@6.819493 + 1052.6343@6.819329 6.819329 (1053.6349, 4853.0073)(1054.6365, 3975.2695)(1055.6381, 2826.7832)(1035.6385, 8571.93)(1036.643, 5599.42)(1070.6492, 2367.95) 17 1052.6343 1052.6343@6.819329 + 1025.1486@6.82224 6.82224 (1026.1559, 34481.645)(1027.1593, 10672.19)(1028.166, 2661.323) 37 1025.1486 1025.1486@6.82224 + Buprenorphine + 6.8252945 6.8252945 C08007 Buprenorphine [ C29 H41 N O4, mfg=62.67, db=62.86, overall=62.76, CAS ID=52485-79-7, KEGG ID=C08007, METLIN ID=1420 ] 52485-79-7 (468.3079, 12706.697)(469.3118, 3322.9429) 36 467.3006 Buprenorphine + 6.8252945 + 777.4822@6.8201733 6.8201733 (778.4897, 21401.434)(779.4927, 4766.3545)(780.4988, 3026.396) 36 777.4822 777.4822@6.8201733 + C24 H51 N3 S3 6.826849 [ C24 H51 N3 S3, mfg=85.92, overall=85.92 ] (478.3287, 26724.688)(479.33212, 7462.2534)(480.34293, 5796.826)(481.34747, 1372.24) 37 477.3214 C24 H51 N3 S3 + 1519.977@6.8249807 6.8249807 (1520.9843, 5875.834)(1521.9882, 7966.342)(1522.9917, 2906.1697) 26 1519.977 1519.977@6.8249807 + 1272.3116@6.8238025 6.8238025 (1273.3191, 19218.932)(1274.3226, 19627.01)(1275.3269, 5255.875)(1276.3345, 1093.5133)(1295.3124, 1867.4434)(1296.3188, 1777.36) 37 1272.3116 1272.3116@6.8238025 + 1272.8135@6.8237433 6.8237433 (1273.8208, 26482.91)(1274.824, 10998.033)(1275.8298, 2601.3076)(1295.8143, 2469.9375)(1296.8156, 1458.39) 35 1272.8135 1272.8135@6.8237433 + 1033.1337@6.83 6.83 (1034.141, 4052.26)(1035.1434, 1811.25) 1 1033.1337 1033.1337@6.83 + 1485.9955@6.829586 6.829586 (1487.0017, 4817.8804)(1488.0046, 3994.062)(1489.0078, 2600.7908)(1508.9844, 28328.934)(1509.9878, 25307.469)(1510.9923, 12397.67)(1511.9985, 4820.321)(1513.0051, 1369.3779) 32 1485.9955 1485.9955@6.829586 + C28 H47 O7 + 6.827037 6.827037 [ C28 H47 O7, mfg=96.31, overall=96.31 ] (991.672, 916922.0)(992.6758, 477422.72)(993.6783, 150951.72)(994.68066, 34640.586)(995.6836, 6763.4033)(996.68555, 906.12335)(1013.6544, 466414.03)(1014.6576, 259534.92)(1015.6693, 193537.7)(1016.6738, 87837.125)(1017.6787, 30555.602)(1018.6831, 8795.47)(496.33957, 1.1691054E7)(497.34302, 3054761.8)(498.3457, 551915.56)(499.3486, 77539.12)(500.35114, 9474.264)(501.35388, 692.73145)(518.3214, 1251030.5)(519.3252, 342744.75) 37 495.3321 C28 H47 O7 + 6.827037 + 1032.6418@6.8487053 6.8487053 (1033.6423, 2380.715)(1034.6453, 1871.0825)(1055.6326, 4209.275)(1056.634, 2555.75)(1057.642, 1256.37) 4 1032.6418 1032.6418@6.8487053 + Chivosazole F 6.8318305 C15733 Chivosazole F [ C41 H57 N O8, mfg=47.24, db=63.28, overall=55.26, KEGG ID=C15733, METLIN ID=71064 ] (692.4134, 10211.694)(693.4169, 4434.7534)(694.4287, 4252.8975)(714.3971, 1537.77) 24 691.406 Chivosazole F + 1507.9768@6.831932 6.831932 (1508.984, 24619.932)(1509.987, 21960.648)(1510.9927, 11726.733)(1511.9987, 5314.997)(1513.0052, 1859.6683) 11 1507.9768 1507.9768@6.831932 + 1268.2981@6.838 6.838 (1269.3053, 4956.18)(1270.3077, 5231.8)(1271.3113, 1676.95) 1 1268.2981 1268.2981@6.838 + 175.157@6.835272 6.835272 (176.16441, 4608.6772)(177.1676, 1319.96) 11 175.157 175.157@6.835272 + PA(O-18:0/12:0) 6.831672 PA(O-18:0/12:0) [ C33 H67 O7 P, db=57.46, overall=28.73, Lipid ID=LMGP10020019, METLIN ID=82165 ] (629.44965, 2947.906)(630.4527, 1477.204) 22 628.442 PA(O-18:0/12:0) + LMGP10020019 1260.8141@6.833457 6.833457 (1261.8207, 41026.082)(1262.8242, 15188.975)(1263.8269, 2507.4604) 31 1260.8141 1260.8141@6.833457 + 1021.1354@6.841 6.841 (1022.1427, 6968.43)(1023.1445, 2778.28) 1 1021.1354 1021.1354@6.841 + 1028.6204@6.834223 6.834223 (1029.628, 9451.44)(1030.6318, 5755.3564)(1031.6346, 2968.1826)(1032.641, 2099.1868) 34 1028.6204 1028.6204@6.834223 + 1260.3116@6.833325 6.833325 (1261.3195, 30563.914)(1262.3228, 28385.951)(1263.3257, 6164.2944) 36 1260.3116 1260.3116@6.833325 + 1020.6348@6.8375387 6.8375387 (1021.64233, 2879.8635)(1022.6446, 2248.999)(1023.6524, 1321.61) 8 1020.6348 1020.6348@6.8375387 + 1013.1486@6.8360367 6.8360367 (1014.15594, 70900.48)(1015.1588, 19355.73) 37 1013.1486 1013.1486@6.8360367 + C26 H49 N2 O3 S3 6.8447423 [ C26 H49 N2 O3 S3, mfg=94.96, overall=94.96 ] (1084.6249, 1636.132)(1085.6317, 1410.8232)(534.29767, 58021.797)(535.3018, 17594.725)(536.2982, 8702.869)(537.3001, 1791.6758)(551.3354, 1204.93) 30 533.2888 C26 H49 N2 O3 S3 + 1047.1418@6.8365364 6.8365364 (1048.1493, 5390.1187)(1049.1521, 1879.1423) 28 1047.1418 1047.1418@6.8365364 + Iriomoteolide 1a 6.840804 C20009 Iriomoteolide 1a [ C29 H46 O7, db=62.50, overall=62.50, KEGG ID=C20009, METLIN ID=73494 ] (1013.6543, 474608.3)(1014.6577, 263323.56)(1015.671, 254718.78) 20 1012.6473 Iriomoteolide 1a + 1024.1401@6.8401666 6.8401666 (1025.1471, 3956.7202) 7 1024.1401 1024.1401@6.8401666 + C30 H53 N2 O7 6.83819 [ C30 H53 N2 O7, mfg=97.99, overall=97.99 ] (554.3926, 237284.78)(555.39575, 71750.62)(556.3979, 14405.293)(557.4026, 2242.621)(576.37604, 2507.367) 36 553.3854 C30 H53 N2 O7 + 1001.6554@6.842292 6.842292 (1002.6574, 2281.856)(1024.6464, 4846.0522) 10 1001.6554 1001.6554@6.842292 + 988.6487@6.842798 6.842798 (989.65594, 31698.389)(990.6592, 17737.959)(1011.63806, 31029.162)(1012.64294, 21391.375)(1013.6543, 493015.22) 37 988.6487 988.6487@6.842798 + 764.9809@6.841587 6.841587 (1530.9713, 1287.2)(765.98816, 76156.13)(766.99133, 28276.416)(767.9947, 2772.0505) 37 764.9809 764.9809@6.841587 + 1080.6335@6.839742 6.839742 (1081.6415, 5429.101)(1082.6445, 3338.2197)(1083.6362, 1914.8882)(1084.6306, 1271.6)(1063.6287, 1584.41) 34 1080.6335 1080.6335@6.839742 + 765.4828@6.8413987 6.8413987 (766.49005, 61136.39)(767.4928, 9763.545)(768.48254, 1431.344)(788.4754, 1151.13) 37 765.4828 765.4828@6.8413987 + 1042.1292@6.8395057 6.8395057 (1043.137, 3339.9033)(1044.1366, 1966.9285) 21 1042.1292 1042.1292@6.8395057 + 799.4766@6.841476 6.841476 (800.48315, 5644.5806)(801.48346, 1576.2935)(802.4897, 7149.19)(803.4967, 1894.7)(804.501, 1610.76)(805.495, 0.0)(806.5018, 2500.52) 26 799.4766 799.4766@6.841476 + 563.4306@6.8347106 6.8347106 (564.4384, 3118.686)(565.4413, 2161.28) 5 563.4306 563.4306@6.8347106 + 1022.6371@6.841638 6.841638 (1023.6463, 2750.0735) 3 1022.6371 1022.6371@6.841638 + C26 H41 N6 O5 + 6.846096 6.846096 [ C26 H41 N6 O5, mfg=79.07, overall=79.07 ] (1035.6389, 7313.7793)(1036.6425, 4761.998)(518.3214, 1134175.4)(519.32526, 313048.22)(540.30664, 9584.843)(541.30975, 3331.2334) 33 517.3144 C26 H41 N6 O5 + 6.846096 + N(alpha)-Benzyloxycarbonyl-L-leucine 6.853635 C04335 N(alpha)-Benzyloxycarbonyl-L-leucine [ C14 H19 N O4, mfg=76.37, db=76.36, overall=76.36, CAS ID=2018-66-8, KEGG ID=C04335, METLIN ID=66165 ] 2018-66-8 (266.13864, 34991.504)(267.1424, 6995.725)(268.1528, 3131.845) 11 265.1314 N(alpha)-Benzyloxycarbonyl-L-leucine + 1046.6506@6.8346033 6.8346033 (1047.6534, 8458.482)(1048.656, 4794.4688)(1049.6659, 6547.01)(1050.6693, 5385.6885)(1051.6678, 19629.37)(1029.6285, 8409.146)(1030.6323, 5128.43)(1031.6356, 2714.1565)(1069.6454, 4466.73)(1070.647, 2906.63)(1071.6594, 9973.6)(1072.6621, 6320.67)(1073.6722, 2643.83) 33 1046.6506 1046.6506@6.8346033 + 601.2724@6.781951 6.781951 (602.28125, 2174.455) 2 601.2724 601.2724@6.781951 + 798.9747@6.841982 6.841982 (799.98206, 6483.125)(800.985, 2771.1804) 34 798.9747 798.9747@6.841982 + C26 H37 N10 O 6.8508635 [ C26 H37 N10 O, mfg=77.99, overall=38.99 ] (1011.63776, 34889.17)(1012.6424, 24347.107)(1028.672, 2353.61)(1033.6267, 1474.515)(506.3227, 6907.3105)(507.32614, 2449.602)(528.3067, 1260.62) 33 505.3153 C26 H37 N10 O + 1040.6787@6.8086042 6.8086042 (1041.6759, 38077.445)(1042.6732, 20617.674)(1043.6691, 22306.129)(1044.7041, 40290.766)(1063.6439, 1347.52) 11 1040.6787 1040.6787@6.8086042 + 775.9726@6.845179 6.845179 (776.9798, 4143.5337) 3 775.9726 775.9726@6.845179 + 1005.6468@6.858 6.858 (1006.6541, 3201.26)(1007.6534, 1895.4) 1 1005.6468 1005.6468@6.858 + C35 H26 N14 O 6.851381 [ C35 H26 N14 O, mfg=70.31, overall=70.31 ] (659.24927, 2643.4404)(660.25195, 1252.8762) 22 658.2421 C35 H26 N14 O + 315.2041@6.853121 6.853121 (653.3972, 1309.96)(316.21136, 9076.642)(317.2144, 1963.0249)(318.22025, 1322.99) 23 315.2041 315.2041@6.853121 + C27 H39 N7 O2 + 6.8536544 6.8536544 [ C27 H39 N7 O2, mfg=79.89, overall=79.89 ] (987.64044, 2332.5708)(988.6437, 3275.825)(1009.62256, 3086.4895)(1010.6323, 2432.4326)(1011.6383, 46251.85)(494.32407, 774768.7)(495.32727, 217010.53)(516.30585, 103624.32)(517.30914, 28244.287) 37 493.3169 C27 H39 N7 O2 + 6.8536544 + 1010.6306@6.851698 6.851698 (1011.6379, 47162.418)(1012.6424, 32498.506) 24 1010.6306 1010.6306@6.851698 + 1097.6228@6.8419857 6.8419857 (1098.6289, 1977.35)(1099.6417, 1174.65)(1100.6365, 1181.6) 2 1097.6228 1097.6228@6.8419857 + C31 H37 N7 O2 6.8463364 [ C31 H37 N7 O2, mfg=76.84, overall=76.84 ] (1096.6334, 1184.6034)(1097.6326, 1056.225)(540.3076, 6426.7603)(541.31165, 2353.9656) 16 539.2998 C31 H37 N7 O2 + 1090.6193@6.863 6.863 (1091.6266, 1772.71)(1092.6287, 1326.34)(1093.6411, 2561.71)(1094.6409, 1596.28)(1095.6453, 1526.11) 1 1090.6193 1090.6193@6.863 + dl-alpha-Tocopherol nicotinate 6.8590055 C12981 dl-alpha-Tocopherol nicotinate [ C35 H53 N O3, mfg=56.79, db=56.76, overall=56.78, CAS ID=51898-34-1, KEGG ID=C12981, METLIN ID=69521 ] 51898-34-1 (536.4061, 3463.555)(537.4098, 1227.3418)(558.3918, 1399.6) 23 535.3984 dl-alpha-Tocopherol nicotinate + 609.3274@6.860917 6.860917 (610.3334, 7178.0986)(611.3376, 2665.4368)(592.3253, 1329.15)(632.31915, 3332.9368)(633.3221, 1128.2899)(634.3312, 721.19) 10 609.3274 609.3274@6.860917 + 531.2726@6.8609977 6.8609977 (532.28406, 7472.701)(533.2879, 2280.4824)(534.2966, 52971.95) 29 531.2726 531.2726@6.8609977 + 544.3336@6.8745794 6.8745794 (545.34106, 2860.645) 2 544.3336 544.3336@6.8745794 + 998.6344@6.852148 6.852148 (999.6427, 8304.139)(1000.64465, 4433.156)(1001.64905, 2652.8564)(1002.6569, 3906.54) 19 998.6344 998.6344@6.852148 + 793.4773@6.8570323 6.8570323 (794.4837, 6912.589)(795.4806, 3014.8623)(796.4664, 2144.4385)(776.4685, 1744.26) 15 793.4773 793.4773@6.8570323 + 109.0196@6.859479 6.859479 (110.0269, 5146.698) 5 109.0196 109.0196@6.859479 + 763.4585@6.8378754 6.8378754 (764.4712, 3630.9036)(765.4673, 1830.65) 3 763.4585 763.4585@6.8378754 + 580.3108@6.865396 6.865396 (581.3198, 1543.5034)(603.29926, 2483.9001)(604.2988, 1856.105) 3 580.3108 580.3108@6.865396 + C28 H45 N2 O11 6.848512 [ C28 H45 N2 O11, mfg=96.22, overall=96.22 ] (586.3095, 19974.693)(587.3129, 5562.983)(588.3134, 1576.8726) 29 585.3025 C28 H45 N2 O11 + 1008.6152@6.863984 6.863984 (1009.622, 6389.735)(1010.628, 3654.795) 2 1008.6152 1008.6152@6.863984 + 648.3156@6.8607154 6.8607154 (649.3227, 3562.5732)(650.32513, 1344.63) 3 648.3156 648.3156@6.8607154 + 131.0943@6.864739 6.864739 (132.10156, 19375.447)(133.10286, 2556.0002) 3 131.0943 131.0943@6.864739 + C26 H39 N6 O5 6.8620586 [ C26 H39 N6 O5, mfg=79.26, overall=39.63 ] (516.3057, 132437.78)(517.3093, 35775.695)(533.3363, 884.57)(538.2927, 1529.29) 33 515.2985 C26 H39 N6 O5 + 996.6153@6.8679085 6.8679085 (997.6225, 3706.95)(998.62946, 2115.9934) 3 996.6153 996.6153@6.8679085 + LysoPE(0:0/18:0) + 6.8673964 6.8673964 LysoPE(0:0/18:0) [ C23 H48 N O7 P, db=99.92, overall=49.96, HMP ID=HMDB11129, METLIN ID=61992 ] (963.6346, 1230.33)(985.6232, 1308.12)(482.32407, 197273.34)(483.32718, 51647.863)(484.33, 9111.195)(485.33148, 1311.9518)(486.3328, 522.86)(499.3478, 7086.73)(504.3056, 39296.4)(505.30902, 10393.337)(506.31912, 3001.14) 37 481.3166 LysoPE(0:0/18:0) + 6.8673964 HMDB11129 + 1069.6382@6.8650694 6.8650694 (1070.6459, 13383.335)(1071.6526, 7843.21)(1072.6539, 3377.51)(1073.6647, 871.35) 2 1069.6382 1069.6382@6.8650694 + C12 H23 N O4 6.875497 [ C12 H23 N O4, mfg=99.84, overall=99.84 ] (246.17018, 163587.23)(247.1734, 22631.26)(248.17525, 3037.7615)(249.17795, 454.13144)(268.15326, 1828.43) 37 245.1629 C12 H23 N O4 + C33 H61 O S2 6.8671646 [ C33 H61 O S2, mfg=85.25, overall=85.25 ] (538.4221, 8496.517)(539.4257, 2782.6313)(540.43445, 1158.5957)(560.4044, 1916.2621)(561.40643, 1328.7767) 33 537.4149 C33 H61 O S2 + 1068.6357@6.8537664 6.8537664 (1069.6442, 15816.363)(1070.647, 9407.358)(1071.648, 6902.745)(1072.653, 3986.0356)(1073.6339, 983.28)(1091.6244, 1513.05) 32 1068.6357 1068.6357@6.8537664 + 826.4695@6.874 6.874 (827.4768, 1055.39)(828.4706, 1020.94)(829.4872, 1010.72) 1 826.4695 826.4695@6.874 + 624.3148@6.8631196 6.8631196 (625.31964, 1543.2375)(626.3203, 1049.54)(647.3073, 1828.97)(648.3117, 757.45) 4 624.3148 624.3148@6.8631196 + 1054.6232@6.8659854 6.8659854 (1055.6311, 4273.586)(1056.6345, 3463.345)(1057.6473, 2183.8235)(1058.6533, 1344.07)(1077.6287, 4809.35)(1078.6344, 3547.44)(1079.641, 3591.02)(1080.6437, 2181.35)(1081.6611, 2992.57) 7 1054.6232 1054.6232@6.8659854 + 615.324@6.877 6.877 (616.3313, 5520.57)(617.3337, 1980.79) 1 615.324 615.324@6.877 + 595.2878@6.874849 6.874849 (596.29816, 3295.5242)(597.30426, 1349.2025)(598.3126, 2765.685)(599.3157, 1362.79)(613.32104, 3335.7551)(614.316, 3637.55)(615.3344, 12665.59) 5 595.2878 595.2878@6.874849 + 1066.6194@6.8686886 6.8686886 (1067.6279, 5576.23)(1068.6326, 3638.0576) 9 1066.6194 1066.6194@6.8686886 + 565.4437@6.880974 6.880974 (566.4521, 3187.4797)(567.45624, 1260.1566)(568.4449, 2170.91)(569.4485, 436.73)(588.4346, 1417.5) 3 565.4437 565.4437@6.880974 + 103.0998@6.8621335 6.8621335 (104.10697, 47935.887)(105.110504, 3433.5068) 3 103.0998 103.0998@6.8621335 + C24 H53 N2 O9 S 6.8527184 [ C24 H53 N2 O9 S, mfg=74.66, overall=74.66 ] (1091.6909, 832.9)(1113.6718, 1648.765)(1114.6733, 1446.56)(1115.6669, 912.86)(546.35284, 179479.14)(547.356, 40191.58)(548.35895, 7464.554)(549.3715, 24558.34) 27 545.3455 C24 H53 N2 O9 S + 682.3174@6.8773327 6.8773327 (683.3219, 2057.95)(684.32495, 748.75)(685.325, 560.59)(705.3127, 721.44) 2 682.3174 682.3174@6.8773327 + C31 H55 N5 O3 S2 6.862069 [ C31 H55 N5 O3 S2, mfg=89.44, overall=89.44 ] (610.3804, 30451.354)(611.3842, 10776.88)(612.39, 4621.517)(613.39624, 1703.8254)(632.3511, 4701.41)(633.36, 1606.295) 26 609.3745 C31 H55 N5 O3 S2 + C32 H41 N6 O9 6.8620167 [ C32 H41 N6 O9, mfg=82.98, overall=82.98 ] (654.29895, 3204.3467)(655.3038, 1202.1213)(656.3133, 1124.3163)(671.3255, 7096.8267)(672.33185, 2743.59)(673.3406, 911.025) 24 653.2921 C32 H41 N6 O9 + 571.2884@6.881691 6.881691 (572.29865, 3969.1794)(573.3012, 1375.709) 12 571.2884 571.2884@6.881691 + C42 H76 O9 + 6.875981 6.875981 [ C42 H76 O9, mfg=88.51, overall=88.51 ] (725.5553, 4674.4536)(726.55896, 2190.2778)(727.5651, 934.6012)(742.581, 907.11) 26 724.5481 C42 H76 O9 + 6.875981 + C24 H49 N2 O10 S2 6.885685 [ C24 H49 N2 O10 S2, mfg=86.13, overall=86.13 ] (590.2874, 28470.38)(591.2905, 8680.044)(592.29865, 5121.9736)(593.3046, 2108.0825) 23 589.2791 C24 H49 N2 O10 S2 + 559.396@6.8820767 6.8820767 (560.4039, 3449.6228)(561.4065, 1309.5631)(577.4362, 611.82) 11 559.396 559.396@6.8820767 + C38 H65 O6 S2 6.874358 [ C38 H65 O6 S2, mfg=92.46, overall=92.46 ] (682.42883, 12853.992)(683.43164, 5129.23)(684.4331, 2019.7783)(685.4329, 1186.395)(664.4204, 1818.8566)(665.43805, 1314.245)(699.4494, 1055.0)(704.4115, 7007.0146)(705.4174, 2672.5442)(706.41284, 1124.06) 27 681.4217 C38 H65 O6 S2 + 407.3158@6.883729 6.883729 (815.63477, 1049.275)(408.323, 2437.6191)(409.3264, 901.1543) 10 407.3158 407.3158@6.883729 + C31 H55 N2 S4 6.880732 [ C31 H55 N2 S4, mfg=74.30, overall=74.30 ] (584.33093, 18231.648)(585.33405, 5905.5796)(586.3365, 4983.9727)(587.3323, 3454.7998)(588.3125, 842.48)(566.32153, 2015.6799)(567.3268, 1039.11)(606.31134, 9998.686)(607.3156, 3343.9136)(608.3202, 8404.124)(609.3241, 3631.295)(610.3325, 5082.385) 27 583.3246 C31 H55 N2 S4 + 653.3904@6.8542004 6.8542004 (654.39795, 21459.174)(655.4012, 7476.9185)(656.4033, 3521.2)(657.4053, 589.99335)(636.38837, 2740.7)(637.39294, 903.8)(638.40173, 823.39)(676.3807, 9808.897)(677.3893, 4307.28)(678.39355, 1816.8325)(679.3988, 645.5) 24 653.3904 653.3904@6.8542004 + C25 H49 N3 O8 S + 6.8840065 6.8840065 [ C25 H49 N3 O8 S, mfg=88.74, overall=88.74 ] (1103.6505, 4699.4644)(1104.6534, 2929.7664)(1105.6604, 1897.278)(1106.6663, 1432.8201)(1125.6326, 19367.678)(1126.636, 12079.247)(1127.6426, 6368.9463)(1128.6484, 2872.887)(1129.6547, 1456.2981)(552.32965, 1064452.6)(553.3328, 288028.47)(554.34155, 121171.375)(555.34656, 30426.326)(556.352, 6028.043)(557.3538, 2352.1868)(534.31714, 62525.05)(535.3225, 24015.168)(536.3319, 16020.1045)(537.3368, 4353.68)(574.3115, 458284.62)(575.3149, 139229.86)(576.3236, 57732.44)(577.32886, 17207.941)(578.337, 4889.5425) 35 551.3223 C25 H49 N3 O8 S + 6.8840065 + 451.2333@6.8841558 6.8841558 (452.24066, 5320.2344)(453.24432, 1520.7031)(434.2292, 847.22) 17 451.2333 451.2333@6.8841558 + 641.2918@6.8850284 6.8850284 (642.2999, 5905.591)(643.30707, 2390.016)(644.30835, 1450.0809) 18 641.2918 641.2918@6.8850284 + 485.2148@6.887975 6.887975 (486.22226, 5073.3237)(487.2263, 1354.3601)(488.2298, 511.22) 12 485.2148 485.2148@6.887975 + 267.157@6.9060035 6.9060035 (268.15915, 3616.3835)(269.1544, 694.56) 6 267.157 267.157@6.9060035 + C27 H37 N7 O2 6.884906 [ C27 H37 N7 O2, mfg=80.16, overall=80.16 ] (983.6073, 644.92)(492.3078, 8864.637)(493.31177, 2742.3625)(509.3367, 1107.4)(514.2911, 2586.7007)(515.2945, 1433.525) 34 491.3006 C27 H37 N7 O2 + 670.3174@6.8896723 6.8896723 (671.32574, 4374.418)(672.33167, 1958.9938)(673.33655, 1149.7184) 14 670.3174 670.3174@6.8896723 + 809.5898@6.886464 6.886464 (810.5969, 4326.6235)(811.60034, 1891.3691)(812.60535, 781.8172) 18 809.5898 809.5898@6.886464 + C7 H3 S 6.899634 [ C7 H3 S, mfg=47.19, overall=47.19 ] (120.003075, 6085.216)(137.03223, 1215.1812) 25 118.9959 C7 H3 S + 781.5601@6.892 6.892 (782.5674, 1425.55)(783.5719, 762.73)(784.58, 1292.2) 1 781.5601 781.5601@6.892 + 254.9701@6.890026 6.890026 (255.97765, 2493.4634) 3 254.9701 254.9701@6.890026 + C17 H15 Cl 6.890971 [ C17 H15 Cl, mfg=72.04, overall=72.04 ] (531.1566, 1030.48)(255.09148, 9707.801)(256.09378, 2565.5422)(257.08997, 2532.3335)(258.1025, 667.51)(277.07336, 7030.4844)(278.0759, 4345.4565)(279.0709, 4245.49) 23 254.0839 C17 H15 Cl + 661.2837@6.8928146 6.8928146 (662.29156, 3153.5825)(663.2952, 1245.3715)(664.30695, 1646.03)(679.3134, 540.32) 8 661.2837 661.2837@6.8928146 + 555.2937@6.9114327 6.9114327 (556.30096, 8856.675)(557.3056, 4105.611) 15 555.2937 555.2937@6.9114327 + 243.1041@6.8980436 6.8980436 (244.11096, 1833.12)(266.0945, 1993.135)(267.0953, 802.71) 2 243.1041 243.1041@6.8980436 + 531.3661@6.894082 6.894082 (532.37305, 5508.8286)(533.37616, 1831.6829) 16 531.3661 531.3661@6.894082 + 689.388@6.898637 6.898637 (690.3958, 14474.058)(691.39923, 5496.543)(692.4117, 4610.8643)(693.4161, 2278.15) 13 689.388 689.388@6.898637 + 561.3419@6.9630547 6.9630547 (562.3481, 9405.608)(563.35175, 3597.4382)(564.35834, 1641.1575)(584.3267, 6427.23)(585.3298, 2008.39) 7 561.3419 561.3419@6.9630547 + 529.3502@6.8969727 6.8969727 (530.3575, 9669.06)(531.3614, 3035.0657)(532.3715, 1973.39)(533.3762, 749.65) 12 529.3502 529.3502@6.8969727 + 579.305@6.9375105 6.9375105 (580.30536, 2568.72)(581.3114, 1181.4225)(582.3132, 11574.44)(583.3129, 778.51) 4 579.305 579.305@6.9375105 + C28 H51 N3 O5 6.902486 [ C28 H51 N3 O5, mfg=96.52, overall=96.52 ] (510.39075, 35441.934)(511.39447, 10483.47)(512.3987, 2117.2517)(513.3944, 753.48596)(532.373, 11363.585)(533.37683, 3424.3225) 35 509.3835 C28 H51 N3 O5 + C28 H45 N7 6.901519 [ C28 H45 N7, mfg=72.04, overall=72.04 ] (480.37943, 3543.8535)(481.38644, 1244.22)(502.363, 3060.93)(503.3658, 1387.8) 19 479.3714 C28 H45 N7 + C23 H52 Cl N8 S 6.903254 [ C23 H52 Cl N8 S, mfg=85.43, overall=85.43 ] (508.37573, 64624.88)(509.37897, 18487.855)(510.3904, 26822.477)(511.39423, 7282.02)(512.4002, 1361.96)(530.35767, 14613.961)(531.3611, 4503.4937)(532.37256, 6389.13)(533.3765, 2109.2166) 37 507.3685 C23 H52 Cl N8 S + C23 H51 N6 O6 S 6.89838 [ C23 H51 N6 O6 S, mfg=96.44, overall=96.44 ] (540.3656, 34652.723)(541.369, 10385.5205)(542.36945, 2937.4683)(543.37445, 378.91)(562.3475, 16133.432)(563.3509, 4816.366)(564.3584, 2442.3833)(565.357, 1863.71) 37 539.3584 C23 H51 N6 O6 S + 489.2826@6.9054165 6.9054165 (490.28992, 20470.084)(491.29498, 5463.7476) 17 489.2826 489.2826@6.9054165 + 603.3504@6.9003468 6.9003468 (604.35834, 4339.7847)(605.3615, 1925.0012)(606.3703, 1779.2367)(607.3723, 634.21) 11 603.3504 603.3504@6.9003468 + 505.2566@6.9110227 6.9110227 (506.2646, 3210.834)(507.2695, 1161.7783)(508.2658, 1125.25) 8 505.2566 505.2566@6.9110227 + 229.0887@6.9149833 6.9149833 (230.09624, 5165.358)(231.0994, 2047.44)(232.0939, 942.86)(252.07762, 8068.7773)(253.08014, 1748.255)(254.0757, 1387.51) 5 229.0887 229.0887@6.9149833 + C20 H49 N9 O S3 6.919826 [ C20 H49 N9 O S3, mfg=85.27, overall=85.27 ] (528.3295, 12052.604)(529.33295, 3973.4875)(530.323, 2567.44)(531.3275, 0.0)(510.3135, 652.17)(550.31384, 5991.7964)(551.3223, 2901.1433) 26 527.3219 C20 H49 N9 O S3 + Buprenorphine + 6.915001 6.915001 C08007 Buprenorphine [ C29 H41 N O4, mfg=78.22, db=78.19, overall=78.21, CAS ID=52485-79-7, KEGG ID=C08007, METLIN ID=1420 ] 52485-79-7 (957.5903, 1181.01)(468.30807, 124110.83)(469.31256, 30396.033)(470.3162, 5811.574)(471.31818, 810.6201)(490.28998, 30276.598)(491.29553, 8278.981) 37 467.3008 Buprenorphine + 6.915001 + C38 H56 Cl N6 O3 6.9156404 [ C38 H56 Cl N6 O3, mfg=47.61, overall=47.61 ] (680.41345, 9368.698)(681.4171, 3884.1492)(682.42804, 9006.061)(697.444, 1873.07)(702.39746, 5606.13)(703.4011, 2098.69)(704.4121, 5789.81)(705.4204, 1859.73)(706.4147, 1379.35) 24 679.4061 C38 H56 Cl N6 O3 + C29 H59 N6 O9 S 6.910674 [ C29 H59 N6 O9 S, mfg=94.84, overall=94.84 ] (668.4126, 27078.178)(669.41614, 9561.458)(670.4192, 3689.4043)(671.42017, 959.81555)(650.4043, 1726.37)(651.4073, 722.94)(690.3954, 21552.111)(691.39923, 8598.668)(692.4111, 9077.0625)(693.4161, 3323.3264) 31 667.4057 C29 H59 N6 O9 S + 273.0781@6.9156756 6.9156756 (274.08557, 2794.8398)(275.0906, 667.86) 4 273.0781 273.0781@6.9156756 + Otonecine 6.921283 C10356 Otonecine [ C9 H15 N O3, mfg=70.24, db=70.22, overall=70.23, CAS ID=6887-34-9, KEGG ID=C10356, METLIN ID=68272 ] 6887-34-9 (186.11287, 10122.778)(187.11514, 1929.9689)(208.0979, 586.22) 31 185.1054 Otonecine + 693.4212@6.8952637 6.8952637 (694.4285, 13238.879)(695.43225, 5979.6553)(716.4136, 4511.2065)(717.41974, 1586.435) 16 693.4212 693.4212@6.8952637 + C27 H41 N7 O 6.849797 [ C27 H41 N7 O, mfg=80.37, overall=80.37 ] (480.3438, 6436.8926)(481.34717, 2047.964)(502.3303, 5366.7866)(503.3326, 3031.96) 30 479.3362 C27 H41 N7 O + C24 H48 N13 O3 S 6.936163 [ C24 H48 N13 O3 S, mfg=92.61, overall=92.61 ] (599.37994, 7321.902)(600.38165, 2089.7097)(601.3753, 628.03)(581.3627, 428.03) 36 598.3724 C24 H48 N13 O3 S + C18 H N O21 S 6.936915 [ C18 H N O21 S, mfg=62.17, overall=62.17 ] (599.8816, 4539.4946)(600.88586, 1019.2957) 26 598.8742 C18 H N O21 S + C29 H43 N7 O + 6.9334135 6.9334135 [ C29 H43 N7 O, mfg=79.02, overall=79.02 ] (506.3606, 4807.164)(507.36356, 1696.5321) 35 505.353 C29 H43 N7 O + 6.9334135 + 639.3017@6.907033 6.907033 (640.3089, 6296.047)(641.3128, 1952.8234)(642.29956, 7594.1406)(643.3029, 6009.895)(644.30994, 2351.675)(645.31085, 529.9)(646.29504, 361.45502)(662.29126, 2484.166)(663.29456, 1053.755)(664.3062, 1689.8966) 7 639.3017 639.3017@6.907033 + C26 H54 Cl N O7 S 6.907133 [ C26 H54 Cl N O7 S, mfg=74.36, overall=74.36 ] (560.33344, 11671.585)(561.3371, 4004.5767)(562.347, 6506.6924)(563.3507, 2164.7566)(564.3567, 1206.555)(582.31647, 4459.278)(583.31903, 1922.0342) 22 559.3267 C26 H54 Cl N O7 S + 533.3111@6.9052505 6.9052505 (1067.6274, 8860.384)(1068.6313, 5691.7734)(534.31805, 77010.22)(535.3215, 24164.768)(536.332, 18964.09)(537.33704, 5809.474)(516.3061, 211668.94)(517.3092, 57068.53)(556.2998, 6795.97)(557.3076, 2949.8) 15 533.3111 533.3111@6.9052505 + 425.7754@6.963058 6.963058 (426.78232, 2250.6047)(427.78955, 958.18506) 6 425.7754 425.7754@6.963058 + C28 H57 N6 O9 S 6.9507985 [ C28 H57 N6 O9 S, mfg=95.06, overall=95.06 ] (654.39764, 26319.988)(655.4009, 8998.044)(656.40326, 3184.4739)(657.40594, 1443.6859)(636.3886, 1997.0366)(637.3927, 396.48)(671.4232, 1350.14)(676.3818, 2158.71) 34 653.3901 C28 H57 N6 O9 S + C28 H57 O3 S3 6.9206347 [ C28 H57 O3 S3, mfg=82.50, overall=41.25 ] (538.3491, 9043.035)(539.3533, 3301.5276)(560.33374, 13258.278)(561.3373, 4484.1113)(562.34735, 3127.3503) 25 537.3418 C28 H57 O3 S3 + C3 H8 N 6.959817 [ C3 H8 N, mfg=46.16, overall=46.16 ] (59.07254, 14339.325) 27 58.0652 C3 H8 N + 235.1951@6.961 6.961 (236.2023, 2166.37) 1 235.1951 235.1951@6.961 + Carboxynorspermidine 6.959584 C18174 Carboxynorspermidine [ C7 H17 N3 O2, mfg=99.63, db=99.63, overall=99.63, CAS ID=, KEGG ID=C18174, METLIN ID=63486 ] (176.13942, 413863.78)(177.1425, 36304.055)(178.14421, 3380.2039) 37 175.1321 Carboxynorspermidine + C11 H26 N2 O4 6.95982 [ C11 H26 N2 O4, mfg=84.16, overall=84.16 ] (251.19626, 11106.955)(252.19955, 1776.4031) 28 250.189 C11 H26 N2 O4 + 2S-amino-pentanoic acid + 6.959881 6.959881 C01826 2S-amino-pentanoic acid [ C5 H11 N O2, mfg=99.95, db=99.35, overall=99.65, KEGG ID=C01826, METLIN ID=35949 ] (235.16528, 98051.43)(236.1685, 11965.302)(237.17, 2191.7168)(257.14734, 292239.2)(258.1504, 32344.844)(259.15338, 4555.276)(260.16397, 2186.6167)(118.086006, 9447109.0)(119.08961, 527621.5)(120.09116, 48599.79)(121.0932, 1642.51)(140.06813, 273300.3)(141.07129, 16384.752)(142.07506, 1739.9893) 37 117.0788 2S-amino-pentanoic acid + 6.959881 + C7 H7 O4 6.958851 [ C7 H7 O4, mfg=71.79, overall=35.89 ] (156.042, 16910.527)(157.0469, 1379.1171)(158.0407, 1545.4381) 36 155.0348 C7 H7 O4 + Cyclopropylamine 6.960572 C14150 Cyclopropylamine [ C3 H7 N, mfg=46.92, db=46.91, overall=46.91, CAS ID=765-30-0, KEGG ID=C14150, METLIN ID=69837 ] 765-30-0 (115.1236, 1396.92)(58.064842, 9356.01) 23 57.0576 Cyclopropylamine + 243.1471@6.9732127 6.9732127 (244.15422, 5428.3394)(245.15468, 1633.5978)(246.1565, 1420.55) 27 243.1471 243.1471@6.9732127 + C28 H49 O6 6.9659185 [ C28 H49 O6, mfg=98.35, overall=98.35 ] (482.3601, 112122.58)(483.3635, 31139.857)(484.3664, 5560.867)(485.36908, 759.02997)(504.34232, 4050.2122)(505.34506, 1734.4314) 37 481.3528 C28 H49 O6 + 358.1423@6.9777107 6.9777107 (359.14972, 4154.968)(360.15347, 1444.76) 10 358.1423 358.1423@6.9777107 + 355.103@6.9773817 6.9773817 (356.1103, 4990.16) 2 355.103 355.103@6.9773817 + C27 H39 N7 O4 6.9824047 [ C27 H39 N7 O4, mfg=78.36, overall=39.18 ] (526.3136, 7321.45)(527.3177, 2404.2874)(548.2987, 1016.98) 23 525.3067 C27 H39 N7 O4 + Lindheimerine 6.9929986 C08695 Lindheimerine [ C22 H31 N O2, mfg=45.96, db=65.40, overall=55.68, CAS ID=68831-67-4, KEGG ID=C08695, METLIN ID=67129 ] 68831-67-4 (364.22546, 3093.192)(365.2277, 1162.3) 20 363.2184 Lindheimerine + C34 H55 N3 O10 6.961734 [ C34 H55 N3 O10, mfg=93.17, overall=93.17 ] (666.3955, 10470.582)(667.3994, 3942.805)(668.4074, 1028.04)(688.38257, 1038.496) 35 665.39 C34 H55 N3 O10 + Butoctamide hydrogen succinate 6.989814 C12946 Butoctamide hydrogen succinate [ C16 H29 N O5, mfg=78.85, db=78.73, overall=78.79, CAS ID=32838-28-1, KEGG ID=C12946, METLIN ID=69512 ] 32838-28-1 (316.21133, 5242.494)(317.21448, 1220.283) 15 315.2044 Butoctamide hydrogen succinate + C32 H65 N3 S5 6.985573 [ C32 H65 N3 S5, mfg=75.45, overall=75.45 ] (652.38196, 21719.643)(653.38715, 7903.381)(654.3963, 6442.65)(674.3646, 1613.6858) 30 651.3748 C32 H65 N3 S5 + C28 H47 O8 6.9631124 [ C28 H47 O8, mfg=96.09, overall=96.09 ] (1045.6449, 1664.73)(1046.6423, 1291.32)(512.33417, 27621.703)(513.3368, 7514.749)(514.34, 1914.1193)(515.3446, 463.32) 37 511.3269 C28 H47 O8 + 575.3213@6.9962454 6.9962454 (576.329, 4560.9985)(577.3367, 932.72754)(578.347, 797.51)(558.3181, 5362.2197)(559.32104, 2771.68)(598.3125, 1367.72)(599.3174, 1198.07)(600.3252, 1979.58) 7 575.3213 575.3213@6.9962454 + C27 H41 N7 O + 6.987086 6.987086 [ C27 H41 N7 O, mfg=81.42, overall=81.42 ] (480.34427, 5815.6636)(481.3472, 1778.7219) 27 479.337 C27 H41 N7 O + 6.987086 + C31 H41 N4 O5 6.9543667 [ C31 H41 N4 O5, mfg=83.55, overall=83.55 ] (550.3136, 9720.403)(551.3198, 3672.0122)(552.32776, 1043.885)(572.2981, 3880.3264)(573.3007, 2072.0935) 30 549.3063 C31 H41 N4 O5 + 103.0631@6.9277816 6.9277816 (104.070496, 8349.542)(105.071144, 795.598) 5 103.0631 103.0631@6.9277816 + 583.3118@6.9762897 6.9762897 (584.32355, 55359.965)(585.32684, 16944.32)(586.3333, 5263.8076)(587.34045, 1242.075)(606.31024, 6175.08)(607.3166, 4089.7) 17 583.3118 583.3118@6.9762897 + 565.3066@6.94053 6.94053 (566.3178, 2491.0876)(567.3221, 1092.7933) 4 565.3066 565.3066@6.94053 + Nelfinavir 7.0063252 C07257 Nelfinavir [ C32 H45 N3 O4 S, mfg=67.82, db=67.81, overall=67.82, CAS ID=159989-64-7, KEGG ID=C07257, METLIN ID=66612 ] 159989-64-7 (568.3242, 24248.016)(569.3276, 7768.73)(570.3318, 2072.7234)(571.33356, 364.97125)(590.3071, 1708.655)(591.3105, 652.58) 27 567.3169 Nelfinavir + 727.2809@7.007 7.007 (728.2881, 1568.73)(729.2923, 1052.83) 1 727.2809 727.2809@7.007 + C32 H56 Cl S4 7.004837 [ C32 H56 Cl S4, mfg=84.18, overall=84.18 ] (604.3008, 7422.6924)(605.30414, 2564.0034)(606.3021, 4418.798)(607.3049, 1788.2859)(586.2887, 1506.27)(626.2864, 1251.8) 22 603.2933 C32 H56 Cl S4 + C29 H45 N3 S 7.0061436 [ C29 H45 N3 S, mfg=68.86, overall=68.86 ] (468.34415, 5047.5205)(469.3389, 2253.3901)(470.34, 897.5923)(485.3691, 816.87)(490.32574, 1582.7749) 32 467.3366 C29 H45 N3 S + 131.0943@7.024115 7.024115 (132.10149, 22107.822)(133.1033, 2373.9973) 7 131.0943 131.0943@7.024115 + 583.3608@7.019922 7.019922 (584.36633, 4551.165)(585.3693, 1702.15)(586.3769, 741.70496) 6 583.3608 583.3608@7.019922 + C29 H39 N7 O3 7.020624 [ C29 H39 N7 O3, mfg=78.43, overall=78.43 ] (534.3186, 109543.77)(535.32245, 33910.73)(556.301, 2478.045)(557.305, 1040.2) 36 533.3114 C29 H39 N7 O3 + C28 H49 N3 O7 7.0247397 [ C28 H49 N3 O7, mfg=90.17, overall=90.17 ] (540.3649, 9669.854)(541.3685, 2908.06)(542.3707, 1201.0221)(522.35425, 1816.105)(562.34735, 2745.281)(563.3521, 1301.4633)(564.359, 811.0967) 26 539.3578 C28 H49 N3 O7 + C14 H23 N8 7.0412974 [ C14 H23 N8, mfg=85.92, overall=85.92 ] (304.2114, 8154.782)(305.2145, 1550.9817) 19 303.2041 C14 H23 N8 + DL-2-amino-octanoic acid + 7.0471787 7.0471787 DL-2-amino-octanoic acid [ C8 H17 N O2, mfg=99.74, db=99.74, overall=99.74, Lipid ID=LMFA01100056, HMP ID=HMDB00991, METLIN ID=74884 ] (319.2588, 1387.2)(160.13327, 2743027.8)(161.1367, 239999.75)(162.13821, 22934.12)(163.13695, 2665.0)(182.11641, 2401.3762)(183.11467, 1295.3467) 37 159.1259 DL-2-amino-octanoic acid + 7.0471787 HMDB00991 + LMFA01100056 C37 H63 N3 O6 S2 7.019562 [ C37 H63 N3 O6 S2, mfg=91.98, overall=91.98 ] (710.4222, 9355.503)(711.4266, 3949.535)(712.42975, 1639.7281)(713.43567, 577.18)(727.4479, 689.65)(732.40753, 4263.79)(733.4138, 1801.99)(734.4222, 486.15) 31 709.416 C37 H63 N3 O6 S2 + 237.1036@7.046772 7.046772 (238.11125, 3240.2566)(239.1179, 1161.35)(255.1347, 1049.25) 6 237.1036 237.1036@7.046772 + 59.0732@7.0499783 7.0499783 (60.080597, 2002.8867) 3 59.0732 59.0732@7.0499783 + 195.1024@7.051669 7.051669 (196.1093, 14334.635)(197.11249, 2108.815) 4 195.1024 195.1024@7.051669 + C27 H56 N8 O4 S2 7.051409 [ C27 H56 N8 O4 S2, mfg=86.17, overall=86.17 ] (621.39307, 6025.1123)(622.3981, 1887.6151)(623.3992, 965.425) 34 620.3858 C27 H56 N8 O4 S2 + p-Aminobenzoic acid 7.046158 C00568 p-Aminobenzoic acid [ C7 H7 N O2, mfg=99.68, db=99.68, overall=99.68, CAS ID=150-13-0, KEGG ID=C00568, HMP ID=HMDB01392, METLIN ID=3261 ] 150-13-0 (138.0549, 588629.1)(139.05814, 43463.31)(140.0638, 4454.8105)(155.0812, 2122.42)(160.03685, 15088.591)(161.03976, 2100.08) 32 137.0477 p-Aminobenzoic acid HMDB01392 + Heliamine 7.0484853 C09460 Heliamine [ C11 H15 N O2, mfg=92.85, db=92.85, overall=92.85, CAS ID=1745-07-9, KEGG ID=C09460, METLIN ID=67718 ] 1745-07-9 (194.1176, 109008.85)(195.12155, 15306.033)(196.11577, 3517.2944)(197.11816, 711.43317)(198.1187, 270.435)(216.1008, 624.8) 34 193.1103 Heliamine + C25 H O18 S 7.051637 [ C25 H O18 S, mfg=60.84, overall=60.84 ] (621.89465, 3789.3335)(622.89557, 885.63007) 31 620.8877 C25 H O18 S + N(alpha)-t-Butoxycarbonyl-L-leucine + 7.0559106 7.0559106 C04301 N(alpha)-t-Butoxycarbonyl-L-leucine [ C11 H21 N O4, mfg=99.69, db=99.69, overall=99.69, KEGG ID=C04301, METLIN ID=66157 ] (232.15456, 413154.44)(233.15773, 54726.363)(234.15984, 6663.4204)(235.16237, 1045.674)(236.162, 275.57)(254.13742, 1430.474) 37 231.1473 N(alpha)-t-Butoxycarbonyl-L-leucine + 7.0559106 + C26 H45 O6 7.0499954 [ C26 H45 O6, mfg=93.37, overall=93.37 ] (454.32864, 7804.6294)(455.33112, 2312.781)(456.33392, 771.89667)(476.3109, 3195.67)(477.312, 1061.58) 35 453.3213 C26 H45 O6 + 259.1604@7.056808 7.056808 (260.1678, 9177.134)(261.1727, 980.0534) 11 259.1604 259.1604@7.056808 + C25 H49 N3 O7 S 7.0627985 [ C25 H49 N3 O7 S, mfg=86.81, overall=86.81 ] (1093.6426, 1188.16)(1094.6436, 1035.82)(536.3343, 146613.83)(537.33777, 42354.41)(538.34735, 19501.893)(539.352, 5211.1504)(540.3612, 841.36)(518.3227, 2728.79)(519.3274, 1295.1599)(558.3164, 24862.486)(559.31964, 9976.038)(560.332, 3339.89)(561.3356, 252.42)(562.3312, 515.94) 34 535.327 C25 H49 N3 O7 S + 651.3768@7.0585084 7.0585084 (652.384, 1973.07)(653.3952, 889.53503) 3 651.3768 651.3768@7.0585084 + C25 H47 N3 O8 S 7.0450554 [ C25 H47 N3 O8 S, mfg=86.26, overall=86.26 ] (550.31335, 26731.734)(551.31836, 8558.815)(552.32874, 2743.6833)(553.3326, 1121.85)(572.29614, 2354.9426)(573.2989, 1400.7928)(574.3108, 2817.58)(575.3139, 1246.99)(576.3278, 1809.34) 37 549.3062 C25 H47 N3 O8 S + 292.8785@7.071 7.071 (293.8857, 743.85) 1 292.8785 292.8785@7.071 + C28 H46 Cl N2 O4 7.065635 [ C28 H46 Cl N2 O4, mfg=70.82, overall=70.82 ] (510.3186, 4828.52)(511.32318, 1763.2731)(512.33276, 1529.9)(532.303, 1039.54) 32 509.3114 C28 H46 Cl N2 O4 + C26 H51 N6 O S3 7.056361 [ C26 H51 N6 O S3, mfg=87.82, overall=87.82 ] (560.3338, 16826.188)(561.3376, 5035.3765)(562.34357, 2702.53)(563.3491, 697.39)(542.32166, 1919.115)(543.331, 1849.99)(582.31415, 4242.402)(583.31885, 3609.18) 22 559.3264 C26 H51 N6 O S3 + 537.3405@7.040515 7.040515 (538.3483, 17105.139)(539.35266, 4537.5923)(540.3615, 2022.1951)(560.3335, 16087.333)(561.337, 5461.5527)(562.348, 12011.2705) 16 537.3405 537.3405@7.040515 + 727.2811@7.078 7.078 (728.2883, 3523.52)(729.2927, 1675.34) 1 727.2811 727.2811@7.078 + C10 H21 N3 O2 7.07679 [ C10 H21 N3 O2, mfg=79.63, overall=79.63 ] (216.17043, 8336.674)(217.17337, 1479.2483) 24 215.1632 C10 H21 N3 O2 + Lentiginosine 7.077419 C10155 Lentiginosine [ C8 H15 N O2, mfg=87.62, db=87.62, overall=87.62, CAS ID=125279-72-3, KEGG ID=C10155, METLIN ID=68160 ] 125279-72-3 (158.11739, 154411.92)(159.12077, 14239.765)(175.1434, 1539.24)(180.1003, 2853.22)(181.09995, 1015.125) 32 157.1101 Lentiginosine + 511.327@7.059204 7.059204 (512.3341, 15400.541)(513.3361, 4183.9053)(514.3403, 1892.3483) 20 511.327 511.327@7.059204 + L-Leucine 7.0991254 C00123 L-Leucine [ C6 H13 N O2, mfg=86.26, db=86.25, overall=86.26, CAS ID=61-90-5, KEGG ID=C00123, HMP ID=HMDB00687, METLIN ID=24 ] 61-90-5 (132.10156, 93801.94)(133.10413, 7423.0337)(154.0847, 4004.66) 25 131.0943 L-Leucine HMDB00687 + HA-1077 7.1036997 HA-1077 [ C14 H17 N3 O2 S, mfg=46.51, db=73.72, overall=60.11, CAS ID=203911-27-7, METLIN ID=45280 ] 203911-27-7 (309.1374, 5758.1104)(310.14142, 1292.541)(311.14322, 861.14996) 10 308.1303 HA-1077 + C31 H50 Cl N2 O S2 7.116152 [ C31 H50 Cl N2 O S2, mfg=69.38, overall=69.38 ] (566.3081, 8918.824)(567.3119, 3733.4397)(568.324, 5334.5146)(569.3266, 2106.25)(570.3389, 618.2)(548.2985, 1787.5033)(549.3019, 899.92004)(588.2929, 1862.175) 16 565.3011 C31 H50 Cl N2 O S2 + 1-Aminocyclohexanecarboxylic acid 7.1051326 1-Aminocyclohexanecarboxylic acid [ C7 H13 N O2, mfg=99.48, db=99.48, overall=99.48, CAS ID=2756-85-6, HMP ID=HMDB02279, METLIN ID=6589 ] 2756-85-6 (287.1985, 1202.63)(144.1018, 415617.72)(145.10513, 36456.39)(146.11339, 3403.9756)(147.1121, 605.44)(166.08496, 6899.2373)(167.0851, 1363.3317)(168.0736, 812.8867) 32 143.0945 1-Aminocyclohexanecarboxylic acid HMDB02279 + 247.994@7.1363106 7.1363106 (249.00136, 1150.6433)(270.98297, 2966.04) 3 247.994 247.994@7.1363106 + C9 H19 N3 O2 7.1060038 [ C9 H19 N3 O2, mfg=96.67, overall=96.67 ] (202.15482, 21447.592)(203.15735, 2706.1816)(204.15929, 783.6584) 31 201.1476 C9 H19 N3 O2 + 289.1524@7.1266785 7.1266785 (290.16013, 11688.521)(291.16364, 2575.1372)(292.16516, 1064.2051) 9 289.1524 289.1524@7.1266785 + 559.3266@7.105367 7.105367 (560.33234, 10639.366)(561.3368, 2800.6382)(562.3374, 1851.9)(563.33203, 880.35)(564.3543, 611.36)(582.31226, 900.445) 5 559.3266 559.3266@7.105367 + 7-Mercaptoheptanoylthreonine 7.1226935 C16594 7-Mercaptoheptanoylthreonine [ C11 H21 N O4 S, mfg=89.07, db=89.04, overall=89.05, KEGG ID=C16594, METLIN ID=71251 ] (264.1266, 10910.547)(265.1299, 1820.8335)(266.1278, 1094.3601) 33 263.1192 7-Mercaptoheptanoylthreonine + 731.4001@7.1242943 7.1242943 (732.40717, 3171.9797)(733.41705, 1515.7968) 3 731.4001 731.4001@7.1242943 + 587.2859@7.144086 7.144086 (588.2939, 5365.7104)(589.2981, 2184.9084)(590.30695, 2446.795)(591.3113, 445.475)(592.326, 1184.4099) 15 587.2859 587.2859@7.144086 + 521.3464@7.126409 7.126409 (522.3527, 3416.25)(523.3575, 1176.7767)(544.336, 5997.02)(545.3379, 1802.06) 3 521.3464 521.3464@7.126409 + 541.2805@7.1380987 7.1380987 (542.28577, 4480.804)(543.2887, 1606.2888)(544.3019, 4843.21) 10 541.2805 541.2805@7.1380987 + 577.3382@7.1293626 7.1293626 (578.3435, 2099.9968)(579.3491, 1211.4199)(580.3578, 941.93494)(600.3284, 8011.345)(601.3325, 2798.49)(602.336, 4446.21) 3 577.3382 577.3382@7.1293626 + Taxine B 7.1898646 C19989 Taxine B [ C33 H45 N O8, mfg=89.40, db=89.43, overall=89.42, CAS ID=1361-51-9, KEGG ID=C19989, METLIN ID=73474 ] 1361-51-9 (584.3194, 18969.26)(585.32263, 6380.278)(586.3261, 1636.4567)(606.30176, 14154.718)(607.3052, 4440.63) 16 583.3121 Taxine B + C26 H57 N2 S5 7.1321106 [ C26 H57 N2 S5, mfg=63.04, overall=63.04 ] (558.3163, 12435.548)(559.32025, 4006.8835)(560.3288, 3322.0605)(561.33527, 1540.048)(562.3395, 2631.955)(580.29724, 1986.25)(581.303, 1196.175)(582.3116, 3668.67) 32 557.3087 C26 H57 N2 S5 + 539.2624@7.139333 7.139333 (540.27026, 2218.4302)(541.2715, 862.7425) 5 539.2624 539.2624@7.139333 + 609.2786@7.1349373 7.1349373 (610.2863, 3726.1335)(611.2954, 1982.365) 6 609.2786 609.2786@7.1349373 + 595.2915@7.1524053 7.1524053 (596.301, 3366.574)(597.3045, 1372.1671)(598.31104, 11248.484)(599.3151, 2544.05)(600.3251, 4102.17) 11 595.2915 595.2915@7.1524053 + 550.0468@7.132708 7.132708 (551.05383, 1603.915)(552.0562, 579.45)(553.049, 768.44) 2 550.0468 550.0468@7.132708 + C31 H48 Cl N O10 7.1547723 [ C31 H48 Cl N O10, mfg=74.89, overall=74.89 ] (630.301, 10133.509)(631.3046, 3722.9436)(632.3173, 4025.0105)(633.3217, 1973.7)(612.29083, 3271.425)(613.295, 1136.7666)(614.30725, 3721.475)(615.3102, 1292.4199)(616.3231, 394.745)(652.28485, 987.7375) 25 629.2939 C31 H48 Cl N O10 + 507.2959@7.1324625 7.1324625 (508.30365, 2715.6355)(509.30988, 1033.9109)(530.2852, 2727.6814)(531.28864, 1271.59) 13 507.2959 507.2959@7.1324625 + 621.3027@7.150303 7.150303 (622.3087, 5364.9697)(623.3114, 1926.6709)(624.3156, 5125.3257)(625.3177, 1581.2)(626.3184, 1514.48)(604.2855, 3330.47)(605.2905, 1140.02) 10 621.3027 621.3027@7.150303 + C29 H39 N7 O4 7.124169 [ C29 H39 N7 O4, mfg=77.50, overall=77.50 ] (550.3132, 18530.477)(551.3183, 5928.83)(532.3033, 1715.31)(572.2957, 15679.856)(573.2997, 5343.4863) 22 549.3063 C29 H39 N7 O4 + 454.0656@7.141039 7.141039 (455.0724, 2081.59)(456.0713, 1471.94) 2 454.0656 454.0656@7.141039 + 701.2764@7.1573286 7.1573286 (702.28357, 2852.91)(703.2853, 829.5)(704.2936, 751.555) 2 701.2764 701.2764@7.1573286 + 730.5977@7.133 7.133 (731.6048, 1338.53)(753.5871, 1051.52)(754.5901, 557.17) 1 730.5977 730.5977@7.133 + C27 H39 N13 7.1483727 [ C27 H39 N13, mfg=78.22, overall=78.22 ] (546.3526, 3942.4578)(547.3547, 1466.7289) 17 545.3453 C27 H39 N13 + C8 H10 N S2 7.150316 [ C8 H10 N S2, mfg=85.17, overall=85.17 ] (185.03236, 10760.665)(186.03607, 1328.0746)(187.03111, 1659.7042)(167.0211, 1588.64)(207.01404, 740.8433) 18 184.025 C8 H10 N S2 + 643.2748@7.1448765 7.1448765 (644.28644, 2631.2651)(645.29047, 1037.1483)(646.2963, 4519.715)(647.29956, 1756.6399)(648.3076, 2136.06)(649.3, 261.74)(666.2788, 4001.345)(667.28467, 1546.53)(668.287, 2219.01) 6 643.2748 643.2748@7.1448765 + C20 H34 Cl N3 O S5 7.1463513 [ C20 H34 Cl N3 O S5, mfg=47.62, overall=47.62 ] (1055.206, 2240.6057)(1056.2065, 1326.5944)(1057.2024, 2127.5178)(1058.2039, 945.3884)(1059.201, 973.328)(528.1067, 1528.7888) 9 527.0988 C20 H34 Cl N3 O S5 + 611.2839@7.1403446 7.1403446 (612.2913, 9870.304)(613.29517, 3339.098)(614.307, 9298.562)(615.3114, 2569.978)(616.3236, 3113.2798)(594.2814, 998.92) 13 611.2839 611.2839@7.1403446 + 724.546@7.138001 7.138001 (725.5511, 2115.32)(726.5588, 1084.4501)(727.5631, 691.37) 3 724.546 724.546@7.138001 + 541.3119@7.1386695 7.1386695 (542.32025, 2891.9023)(543.3328, 1232.5974)(544.31305, 4216.91)(545.3392, 881.93)(546.3536, 5435.46)(564.2974, 791.0) 10 541.3119 541.3119@7.1386695 + C5 H6 N5 O2 7.1558995 [ C5 H6 N5 O2, mfg=89.75, overall=89.75 ] (337.1089, 4285.7036)(338.11017, 988.4817)(359.09085, 4343.858)(360.0942, 829.287)(169.05815, 103255.66)(170.06198, 6684.7236)(171.06686, 1443.231)(151.0476, 6152.07)(191.0404, 9322.24)(192.04382, 764.6833) 34 168.0509 C5 H6 N5 O2 + C16 H18 N4 O S 7.15095 [ C16 H18 N4 O S, mfg=85.18, overall=85.18 ] (315.12717, 13795.751)(316.13074, 2786.2336)(317.13324, 1435.09)(337.1088, 4541.63) 18 314.12 C16 H18 N4 O S + 809.5901@7.1536684 7.1536684 (810.59674, 4391.2764)(811.59937, 1888.2218)(812.60175, 892.0427) 30 809.5901 809.5901@7.1536684 + C32 H17 Cl N5 S 7.1554537 [ C32 H17 Cl N5 S, mfg=83.03, overall=41.51 ] (539.0978, 5945.282)(540.09796, 2886.7444)(541.0948, 2465.9575)(542.09576, 888.5234) 33 538.0907 C32 H17 Cl N5 S + 555.2959@7.1404343 7.1404343 (556.30164, 4936.2305)(557.30585, 1924.3274)(558.3161, 49990.61) 5 555.2959 555.2959@7.1404343 + 629.0915@7.145855 7.145855 (630.09955, 1685.206)(631.1009, 1133.7875)(632.1002, 687.525) 5 629.0915 629.0915@7.145855 + 886.1474@7.1472406 7.1472406 (887.1553, 1711.5557)(888.15533, 1174.7233)(889.15283, 1646.2981)(890.1563, 652.455) 7 886.1474 886.1474@7.1472406 + C32 H37 Cl N6 O S4 7.155056 [ C32 H37 Cl N6 O S4, mfg=97.38, overall=97.38 ] (685.1674, 3149.8828)(686.17114, 1253.2739)(687.1639, 1853.7948)(688.1657, 653.28406)(689.16284, 413.875)(707.14874, 4290.344)(708.1499, 1650.7806)(709.1461, 1835.8896)(710.1471, 870.4199)(711.1432, 421.01) 28 684.1594 C32 H37 Cl N6 O S4 + (R)-(+)-2-Pyrrolidone-5-carboxylic acid + 7.1568255 7.1568255 C02237 (R)-(+)-2-Pyrrolidone-5-carboxylic acid [ C5 H7 N O3, mfg=99.68, db=96.85, overall=98.27, CAS ID=4042-36-8, KEGG ID=C02237, HMP ID=HMDB00805, METLIN ID=63632 ] 4042-36-8 (259.0928, 1095.16)(130.04982, 100045.4)(131.05325, 6063.3916)(132.05695, 1156.5494)(147.07639, 306843.4)(148.08101, 19719.25)(149.08037, 3284.8406)(150.08325, 500.12)(152.03201, 5974.9346)(153.03503, 1081.7467) 37 129.0426 (R)-(+)-2-Pyrrolidone-5-carboxylic acid + 7.1568255 HMDB00805 + 826.5469@7.144751 7.144751 (827.5584, 1746.344)(828.55664, 1001.396)(829.5635, 930.75)(849.534, 1768.26)(850.5461, 1165.43) 5 826.5469 826.5469@7.144751 + 150.0401@7.154275 7.154275 (151.04745, 7088.1973) 4 150.0401 150.0401@7.154275 + 806.6268@7.1548924 7.1548924 (807.6345, 2728.1372)(808.63654, 1605.5585)(809.6435, 927.1591)(789.6194, 1448.02) 26 806.6268 806.6268@7.1548924 + C37 H16 Cl N8 O 7.148776 [ C37 H16 Cl N8 O, mfg=70.46, overall=70.46 ] (624.1213, 2504.8044)(625.11957, 1246.0599)(626.1208, 1020.13) 7 623.1139 C37 H16 Cl N8 O + 810.5933@7.1469507 7.1469507 (811.6005, 3553.5388)(812.605, 1374.28)(813.6102, 673.38) 7 810.5933 810.5933@7.1469507 + 685.2835@7.157126 7.157126 (686.2907, 4639.004)(687.29407, 1922.1859)(688.30164, 1275.1608)(689.2956, 263.42)(668.2844, 2011.7749)(669.2833, 1208.81)(670.2934, 4807.78)(671.2973, 1662.47)(672.3002, 750.23) 19 685.2835 685.2835@7.157126 + (+)-gamma-Hydroxy-L-homoarginine 7.147945 C08286 (+)-gamma-Hydroxy-L-homoarginine [ C7 H16 N4 O3, mfg=57.79, db=57.79, overall=57.79, CAS ID=1616-99-5, KEGG ID=C08286, METLIN ID=66885 ] 1616-99-5 (205.12967, 5938.2964)(206.13493, 1084.7584)(207.1186, 635.27) 13 204.1222 (+)-gamma-Hydroxy-L-homoarginine + 835.606@7.147991 7.147991 (836.6131, 1825.4027)(837.6166, 1109.894)(838.62506, 1128.7)(839.631, 351.5) 7 835.606 835.606@7.147991 + C21 H33 Cl N O4 S3 7.1538835 [ C21 H33 Cl N O4 S3, mfg=91.56, overall=91.56 ] (495.1338, 4044.7627)(496.137, 1053.77)(497.13037, 2049.8308)(498.1339, 671.93)(517.11554, 1362.2104)(518.11865, 965.225)(519.1122, 1048.345) 22 494.1266 C21 H33 Cl N O4 S3 + 881.1695@7.1471276 7.1471276 (882.17554, 1428.98)(883.1757, 1156.4967)(884.17206, 1012.73) 3 881.1695 881.1695@7.1471276 + C10 H21 Cl N2 O5 S2 7.157498 [ C10 H21 Cl N2 O5 S2, mfg=95.72, overall=95.72 ] (697.1242, 979.09)(698.1245, 575.58)(699.1185, 922.61)(719.1048, 2339.114)(720.107, 1118.3073)(721.10144, 2419.9055)(722.1045, 889.3059)(723.10144, 1067.7847)(724.1069, 385.14)(725.0998, 308.74)(349.06464, 5832.75)(350.06775, 990.66235)(351.0609, 2642.2905)(352.0639, 342.226)(353.06155, 308.07748)(371.04654, 8434.085)(372.0495, 1289.4908)(373.04263, 3532.9922)(374.04495, 607.5563)(375.04526, 521.15393) 37 348.0575 C10 H21 Cl N2 O5 S2 + C29 H55 N3 O S2 7.137644 [ C29 H55 N3 O S2, mfg=82.59, overall=82.59 ] (526.38605, 3705.6885)(527.39703, 1395.9841)(528.39667, 859.12)(548.3679, 7869.178)(549.3711, 2530.4578)(550.37085, 1857.75) 33 525.3791 C29 H55 N3 O S2 + 358.0837@7.1584635 7.1584635 (359.09094, 4921.472)(360.09375, 731.6543) 9 358.0837 358.0837@7.1584635 + 538.5926@7.1526527 7.1526527 (539.59973, 2494.4097) 5 538.5926 538.5926@7.1526527 + 627.2882@7.155508 7.155508 (628.28796, 4027.7058)(629.28973, 1628.4158)(610.2873, 788.31)(611.2943, 857.0)(612.2925, 3090.71)(613.2967, 1343.48)(614.3087, 4417.04)(615.3146, 1366.54)(616.3213, 1332.69) 8 627.2882 627.2882@7.155508 + C30 H44 Cl N5 O5 7.147037 [ C30 H44 Cl N5 O5, mfg=79.39, overall=79.39 ] (590.3067, 11196.621)(591.3104, 3335.455)(592.3226, 3320.2334)(593.3227, 1131.08)(594.3332, 571.05)(572.2958, 5033.46)(573.2987, 1316.95)(612.29114, 6180.942)(613.2948, 2421.169)(614.3065, 10033.7705)(615.3105, 2751.5474)(616.32275, 3576.695) 26 589.2996 C30 H44 Cl N5 O5 + 622.6164@7.1532307 7.1532307 (623.6235, 1555.7075)(624.6229, 1289.775) 4 622.6164 622.6164@7.1532307 + 526.1343@7.157906 7.157906 (527.142, 2700.2153)(528.14215, 861.9714) 15 526.1343 526.1343@7.157906 + 832.6427@7.1578937 7.1578937 (833.64996, 3962.949)(834.65283, 2176.7104)(835.6614, 1367.6094)(836.6623, 1551.96)(815.6391, 644.34) 31 832.6427 832.6427@7.1578937 + 624.3108@7.156334 7.156334 (625.318, 1960.72)(626.32196, 707.20996) 2 624.3108 624.3108@7.156334 + C15 H27 N O6 7.1503215 [ C15 H27 N O6, mfg=97.35, overall=97.35 ] (318.19086, 18642.33)(319.19424, 3308.102)(320.1975, 992.32214)(335.2167, 782.58) 37 317.1838 C15 H27 N O6 + 509.3471@7.141533 7.141533 (510.35355, 2233.685)(511.35635, 1019.83997)(532.3359, 4260.2964)(533.3379, 1737.7032) 6 509.3471 509.3471@7.141533 + 783.5751@7.1442885 7.1442885 (784.5827, 2289.525)(785.58496, 1174.34)(806.5671, 681.68) 2 783.5751 783.5751@7.1442885 + C4 H6 N4 O5 7.161381 [ C4 H6 N4 O5, mfg=79.19, overall=79.19 ] (191.04044, 10262.898)(192.04398, 930.61475) 25 190.0331 C4 H6 N4 O5 + Cucurbitine 7.1465015 C10140 Cucurbitine [ C5 H10 N2 O2, mfg=87.07, db=87.07, overall=87.07, CAS ID=6807-92-7, KEGG ID=C10140, METLIN ID=68147 ] 6807-92-7 (131.0813, 46245.094)(132.08394, 2347.414) 37 130.0741 Cucurbitine + 83.0371@7.149738 7.149738 (84.0444, 7917.9966)(85.0475, 1425.1967)(101.07106, 7371.1587)(102.0695, 1613.29) 11 83.0371 83.0371@7.149738 + C28 H55 N5 O2 S5 7.1741066 [ C28 H55 N5 O2 S5, mfg=84.02, overall=84.02 ] (654.30115, 5593.282)(655.30426, 2157.4995)(656.31116, 1923.05)(657.3154, 492.55)(636.29254, 6698.17)(637.2972, 3081.3867)(638.304, 8292.453)(639.30804, 3243.9902)(676.2875, 892.65) 21 653.2936 C28 H55 N5 O2 S5 + 243.0154@7.159626 7.159626 (244.02252, 2345.5764) 6 243.0154 243.0154@7.159626 + 579.2584@7.147218 7.147218 (580.2659, 2651.3533)(581.26886, 959.3633) 3 579.2584 579.2584@7.147218 + 695.2912@7.160348 7.160348 (696.2986, 2156.5737)(697.30096, 1034.1699)(698.30896, 1014.065)(718.2807, 4121.685)(719.2843, 1550.51)(720.29193, 888.35004) 5 695.2912 695.2912@7.160348 + 677.2784@7.1513696 7.1513696 (678.2801, 2581.8823)(679.28424, 1162.124)(680.3023, 1834.57)(660.2762, 2203.9534)(661.2813, 957.2)(662.2911, 31811.0)(700.27, 1965.05) 5 677.2784 677.2784@7.1513696 + C26 H49 N2 O4 S2 7.126422 [ C26 H49 N2 O4 S2, mfg=69.94, overall=69.94 ] (518.3219, 11207.491)(519.3253, 3464.1475)(520.3226, 2743.0515)(521.3113, 768.01)(522.3229, 2469.5698) 26 517.3165 C26 H49 N2 O4 S2 + Leu-leu-tyr 7.156671 C11331 Leu-leu-tyr [ C21 H33 N3 O5, mfg=52.45, db=52.55, overall=52.50, CAS ID=20368-24-5, KEGG ID=C11331, METLIN ID=68996 ] 20368-24-5 (408.25156, 5434.999)(409.2595, 1027.2208) 34 407.2443 Leu-leu-tyr + 651.2824@7.161963 7.161963 (652.2879, 2911.3733)(653.29083, 1086.8766) 3 651.2824 651.2824@7.161963 + 407.7461@7.1548643 7.1548643 (838.4747, 911.44)(408.7532, 2520.559) 13 407.7461 407.7461@7.1548643 + 661.2835@7.162141 7.162141 (662.2911, 16393.584)(663.29425, 5562.7515)(664.3067, 3763.216)(665.31067, 1426.4966)(684.27704, 914.55)(685.2775, 672.73) 21 661.2835 661.2835@7.162141 + 513.2487@7.149972 7.149972 (514.25616, 2419.749)(515.25977, 1035.1301)(516.269, 1101.85)(536.2391, 2118.0588)(537.2429, 1188.1749)(538.251, 824.66) 9 513.2487 513.2487@7.149972 + 633.2838@7.152 7.152 (634.2911, 2303.46)(635.312, 1249.7) 1 633.2838 633.2838@7.152 + 701.3603@7.1609025 7.1609025 (702.3678, 2495.9585)(703.37177, 1451.6133) 7 701.3603 701.3603@7.1609025 + 618.3061@7.1534834 7.1534834 (619.31195, 1841.75)(620.2963, 801.30664)(621.2943, 855.61)(636.3412, 1487.04) 4 618.3061 618.3061@7.1534834 + 569.2727@7.155 7.155 (570.28, 1691.58)(571.2979, 901.03) 1 569.2727 569.2727@7.155 + 404.1125@7.1544294 7.1544294 (405.11987, 2381.2388)(406.1217, 951.905)(387.1098, 807.75) 8 404.1125 404.1125@7.1544294 + 413.7751@7.089203 7.089203 (828.5572, 779.88)(414.78217, 3640.972)(415.78723, 929.93) 10 413.7751 413.7751@7.089203 + 533.3089@7.159063 7.159063 (534.3167, 33224.46)(535.32184, 8829.367)(551.3486, 1246.39)(556.30066, 940.89) 8 533.3089 533.3089@7.159063 + 573.3039@7.171632 7.171632 (574.31104, 47274.168)(575.3145, 14171.941)(576.3264, 6987.2686)(577.33105, 2528.852)(596.29645, 879.395) 27 573.3039 573.3039@7.171632 + C28 H62 N6 O4 S3 7.164231 [ C28 H62 N6 O4 S3, mfg=82.83, overall=82.83 ] (643.40607, 4953.393)(644.4066, 1721.4943)(645.40076, 1042.275) 37 642.3988 C28 H62 N6 O4 S3 + C23 H N O22 7.1646442 [ C23 H N O22, mfg=71.32, overall=71.32 ] (643.9078, 3245.912)(644.90967, 856.674) 24 642.9004 C23 H N O22 + C28 H47 O8 + 7.165878 7.165878 [ C28 H47 O8, mfg=96.28, overall=96.28 ] (512.3342, 39805.074)(513.3374, 10652.987)(514.3401, 2599.7551)(515.3452, 713.3075)(534.3165, 40883.008)(535.32086, 11091.011)(536.3286, 8801.965)(537.3335, 705.12) 37 511.3272 C28 H47 O8 + 7.165878 + C23 H47 N6 O7 S 7.173049 [ C23 H47 N6 O7 S, mfg=88.83, overall=88.83 ] (552.3293, 56541.906)(553.3323, 13328.745)(554.337, 5145.9)(555.3366, 1454.6699)(534.3167, 24350.64)(535.3202, 6160.2)(574.31104, 55100.402)(575.31464, 17779.418)(576.3261, 9558.846)(577.33124, 2489.8767) 20 551.322 C23 H47 N6 O7 S + 609.2794@7.184307 7.184307 (610.2875, 3237.658)(611.3033, 989.6149)(612.2916, 3993.3398)(613.2959, 1440.6499)(614.3071, 5033.51)(615.3097, 1565.58) 10 609.2794 609.2794@7.184307 + 553.4088@7.1903095 7.1903095 (554.41693, 1345.0249)(555.4176, 530.42)(576.3968, 2229.64)(577.3992, 700.17) 2 553.4088 553.4088@7.1903095 + 587.297@7.182724 7.182724 (588.30164, 4172.0625)(589.30444, 1385.035)(610.2898, 1850.53) 8 587.297 587.297@7.182724 + Alanine 7.210038 C01401 Alanine [ C3 H7 N O2, mfg=65.35, db=65.35, overall=65.35, CAS ID=302-72-7, KEGG ID=C01401, METLIN ID=63614 ] 302-72-7 (90.05493, 6965.6357)(91.05804, 1036.3467)(72.044266, 1333.7201)(112.038, 636.48) 19 89.0477 Alanine + p-Aminobenzoic acid + 7.2129807 7.2129807 C00568 p-Aminobenzoic acid [ C7 H7 N O2, mfg=66.24, db=64.00, overall=65.12, CAS ID=150-13-0, KEGG ID=C00568, HMP ID=HMDB01392, METLIN ID=3261 ] 150-13-0 (138.05486, 24395.24)(139.05562, 2296.4275)(140.0691, 2375.23)(155.08157, 2965.8416)(160.03677, 5204.2905)(161.04025, 1012.21436) 31 137.0476 p-Aminobenzoic acid + 7.2129807 HMDB01392 + C19 H35 N5 O6 7.240173 [ C19 H35 N5 O6, mfg=79.04, overall=79.04 ] (430.2652, 4966.0654)(431.27026, 1004.20703) 34 429.2579 C19 H35 N5 O6 + 551.322@7.215779 7.215779 (552.3292, 78678.31)(553.33246, 22113.498)(554.3385, 5923.8325)(555.33936, 1278.726) 11 551.322 551.322@7.215779 + 581.2965@7.160646 7.160646 (582.3064, 2474.88)(583.30975, 1011.8)(604.2858, 5241.74)(605.2897, 2236.01) 3 581.2965 581.2965@7.160646 + 565.3007@7.2515063 7.2515063 (566.30804, 4917.739)(567.3106, 1748.6383)(568.3233, 1084.36)(588.29175, 3935.355)(589.29626, 1354.625) 12 565.3007 565.3007@7.2515063 + C25 H3 N3 O18 S 7.275868 [ C25 H3 N3 O18 S, mfg=58.40, overall=58.40 ] (665.9212, 2355.2632)(666.9219, 1013.36) 22 664.9134 C25 H3 N3 O18 S + C26 H44 N22 7.2757287 [ C26 H44 N22, mfg=78.22, overall=78.22 ] (665.4196, 3795.2332)(666.4212, 1410.8467) 35 664.4121 C26 H44 N22 + C10 H19 N O4 7.282631 [ C10 H19 N O4, mfg=99.68, overall=99.68 ] (218.13893, 542294.25)(219.14203, 60895.89)(220.14426, 7715.671)(221.14766, 976.7153)(240.12198, 1857.9836)(241.12146, 743.375) 37 217.1317 C10 H19 N O4 + 545.3455@7.255325 7.255325 (546.3531, 2733.25)(547.35364, 1739.75)(548.3647, 964.18) 4 545.3455 545.3455@7.255325 + 616.3201@7.29 7.29 (617.3274, 2582.93)(618.3347, 465.65) 1 616.3201 616.3201@7.29 + 637.298@7.2244306 7.2244306 (638.3043, 5039.615)(639.3081, 1964.0187) 9 637.298 637.298@7.2244306 + 647.3896@7.294 7.294 (648.3969, 1270.0) 1 647.3896 647.3896@7.294 + 511.3634@7.2952766 7.2952766 (512.36786, 1877.825)(513.3823, 1582.18)(534.3509, 1496.28)(535.3379, 698.83) 2 511.3634 511.3634@7.2952766 + 533.2756@7.28151 7.28151 (534.2833, 3379.7693)(535.286, 1129.8611)(536.2976, 1657.7032)(556.26495, 1944.792)(557.2676, 823.48) 11 533.2756 533.2756@7.28151 + 449.1275@7.2953653 7.2953653 (450.135, 4263.672)(451.13724, 1059.495)(452.13113, 1908.3168)(432.1241, 771.43)(472.11682, 1824.9513) 9 449.1275 449.1275@7.2953653 + 611.2844@7.2674084 7.2674084 (612.29224, 5067.8125)(613.30176, 2685.81)(614.30725, 11692.199)(615.3104, 1166.97)(616.324, 3455.57) 4 611.2844 611.2844@7.2674084 + 651.2779@7.2972927 7.2972927 (652.2866, 2937.675)(653.2898, 1250.19)(654.2996, 4263.34)(655.3037, 1501.33)(656.3094, 1125.32) 2 651.2779 651.2779@7.2972927 + 493.0913@7.2942114 7.2942114 (494.0994, 1987.5449) 2 493.0913 493.0913@7.2942114 + 555.3517@7.283889 7.283889 (556.3593, 3289.7478)(557.3583, 1357.7339)(578.3412, 1136.04) 14 555.3517 555.3517@7.283889 + 568.2358@7.2971396 7.2971396 (569.24615, 4401.8213)(570.2469, 1439.4258)(571.234, 870.06)(586.2763, 1674.23)(587.2805, 1029.82)(591.22626, 1037.23) 7 568.2358 568.2358@7.2971396 + 832.6428@7.2603955 7.2603955 (833.64935, 3361.7434)(834.65265, 1828.7599)(835.66473, 1753.03)(836.6651, 217.9) 3 832.6428 832.6428@7.2603955 + 515.1155@7.2971454 7.2971454 (516.122, 1448.43) 3 515.1155 515.1155@7.2971454 + D-Alanine + 7.295138 7.295138 C00133 D-Alanine [ C3 H7 N O2, mfg=87.73, db=87.73, overall=87.73, CAS ID=338-69-2, KEGG ID=C00133, HMP ID=HMDB01310, METLIN ID=58035 ] 338-69-2 (90.0549, 38970.523)(91.0582, 1677.9788) 37 89.0476 D-Alanine + 7.295138 HMDB01310 + 306.1022@7.295262 7.295262 (613.2035, 837.05)(307.10947, 4128.1123)(308.10977, 849.7777)(329.09158, 1475.2123) 22 306.1022 306.1022@7.295262 + 340.1164@7.2961936 7.2961936 (341.12338, 1721.0042) 5 340.1164 340.1164@7.2961936 + 431.1647@7.2953277 7.2953277 (432.1713, 3150.3801) 3 431.1647 431.1647@7.2953277 + C14 H13 Cl N5 S 7.2948365 [ C14 H13 Cl N5 S, mfg=88.00, overall=88.00 ] (637.12573, 938.39996)(659.1065, 823.09753)(319.0656, 1924.258)(320.0682, 909.69)(321.0624, 1126.27)(341.04742, 4076.6658)(342.05014, 855.44995)(343.04346, 1758.09) 16 318.0583 C14 H13 Cl N5 S + C11 H27 N8 O9 7.2952228 [ C11 H27 N8 O9, mfg=99.50, overall=99.50 ] (831.38635, 2671.9148)(832.38934, 1875.7067)(833.3794, 982.43)(416.19714, 100879.375)(417.19983, 16517.879)(418.2018, 2890.972)(419.20575, 572.91003)(438.17868, 4150.652)(439.1795, 1087.3909) 26 415.1899 C11 H27 N8 O9 + C15 H40 N8 O12 7.2950993 [ C15 H40 N8 O12, mfg=95.44, overall=95.44 ] (1071.5442, 2848.406)(1072.5475, 1896.5)(525.2847, 13418.802)(526.2875, 3617.9841)(527.2903, 1315.45)(547.2665, 32814.504)(548.2691, 7021.404)(549.26874, 2353.2637)(550.2625, 1006.33) 21 524.2772 C15 H40 N8 O12 + C22 H39 Cl N7 O3 S3 7.296117 [ C22 H39 Cl N7 O3 S3, mfg=98.84, overall=98.84 ] (581.2044, 12448.5205)(582.20685, 3217.24)(583.201, 5453.7725)(584.2038, 1580.863)(585.20166, 1449.054)(603.186, 7269.3877)(604.18805, 2098.1375)(605.1837, 3476.8164)(606.1844, 902.632)(607.18176, 607.68) 10 580.1972 C22 H39 Cl N7 O3 S3 + 677.3294@7.294579 7.294579 (678.33636, 37533.06)(679.3386, 9914.69)(680.3376, 2558.2244)(700.3177, 4094.3179)(701.3196, 1436.796)(702.3173, 836.23) 11 677.3294 677.3294@7.294579 + C6 H5 N2 O4 7.296035 [ C6 H5 N2 O4, mfg=69.53, overall=69.53 ] (170.03267, 9965.974)(171.03545, 865.21094)(172.03098, 1152.9198)(152.0232, 847.27)(192.0157, 662.79) 32 169.0254 C6 H5 N2 O4 + Creatine 7.2951646 C00300 Creatine [ C4 H9 N3 O2, mfg=99.29, db=99.07, overall=99.18, CAS ID=57-00-1, KEGG ID=C00300, HMP ID=HMDB00064, METLIN ID=7 ] 57-00-1 (263.14636, 278193.53)(264.1491, 29841.855)(265.151, 4087.24)(266.15283, 556.0333)(285.12796, 97961.84)(286.13092, 10618.134)(287.1344, 1785.6052)(132.07655, 4120953.5)(133.07971, 201177.55)(134.08122, 22223.994)(135.08488, 1434.2805)(154.05867, 164997.25)(155.06223, 8128.836)(156.06393, 1209.8989) 37 131.0693 Creatine HMDB00064 + Creatinine + 7.2947903 7.2947903 C00791 Creatinine [ C4 H7 N3 O, mfg=47.59, db=98.20, overall=72.90, CAS ID=60-27-5, KEGG ID=C00791, HMP ID=HMDB00562, METLIN ID=8 ] 60-27-5 (136.04807, 55339.1)(137.05112, 2885.0015)(138.05504, 984.0372) 31 135.0408 Creatinine + 7.2947903 HMDB00562 + C9 H7 N2 S 7.2968097 [ C9 H7 N2 S, mfg=67.70, overall=67.70 ] (176.04068, 5206.8022)(177.0468, 618.66504) 31 175.0333 C9 H7 N2 S + C5 H11 N3 O4 S 7.298103 [ C5 H11 N3 O4 S, mfg=92.65, overall=92.65 ] (210.0542, 9004.321)(211.05579, 1042.3322)(212.05367, 661.234) 32 209.047 C5 H11 N3 O4 S + C8 H17 N2 O3 7.295381 [ C8 H17 N2 O3, mfg=82.78, overall=82.78 ] (190.13, 14467.9795)(191.13455, 1535.0452)(192.13675, 865.0333) 37 189.1227 C8 H17 N2 O3 + 342.036@7.2958136 7.2958136 (343.0432, 1978.6649) 4 342.036 342.036@7.2958136 + 682.3912@7.300772 7.300772 (683.40015, 3212.7974)(684.4053, 1828.43)(685.41235, 1244.43)(705.38116, 1464.2867)(706.3863, 1214.27) 4 682.3912 682.3912@7.300772 + 669.2875@7.2142096 7.2142096 (670.2938, 2242.001)(671.29584, 1085.9429)(672.304, 1297.7)(673.3101, 767.49)(674.3143, 698.49)(652.2868, 1755.7551)(653.2905, 1004.82) 9 669.2875 669.2875@7.2142096 + 685.2841@7.299097 7.299097 (686.2913, 2745.5586)(687.29474, 933.5417)(688.3024, 696.23334)(668.28143, 1540.7933) 8 685.2841 685.2841@7.299097 + 613.3006@7.2726746 7.2726746 (614.3072, 6522.517)(615.31085, 2315.029)(616.3241, 2675.27)(617.3271, 1027.46)(596.2998, 1544.26)(636.29236, 2024.14)(637.29614, 1023.00665)(638.3042, 4577.133)(639.3076, 1520.845) 11 613.3006 613.3006@7.2726746 + 835.4429@7.301504 7.301504 (836.4501, 1557.515)(837.4539, 1432.28) 2 835.4429 835.4429@7.301504 + C31 H44 Cl N6 O 7.3027196 [ C31 H44 Cl N6 O, mfg=84.46, overall=84.46 ] (552.32916, 31825.52)(553.33234, 9512.495)(554.3431, 7955.2964)(555.3476, 3029.0134)(574.31116, 15004.582)(575.3146, 4820.4155)(576.32605, 4444.9097)(577.33093, 1621.4757) 23 551.322 C31 H44 Cl N6 O + 577.3692@7.3056474 7.3056474 (578.37756, 2665.9543)(579.373, 1234.9629)(580.36176, 1081.04) 7 577.3692 577.3692@7.3056474 + 451.7715@7.3240523 7.3240523 (452.77985, 2184.2312) 10 451.7715 451.7715@7.3240523 + C35 H57 N S2 7.3156753 [ C35 H57 N S2, mfg=70.65, overall=70.65 ] (556.3962, 3046.471)(557.4075, 1416.84)(558.40924, 710.86005)(578.3768, 3018.0037)(579.3728, 1346.96)(580.3643, 1123.34) 19 555.389 C35 H57 N S2 + 303.168@7.3418775 7.3418775 (304.1751, 11728.712)(305.1784, 2238.931)(306.17847, 786.19336) 11 303.168 303.168@7.3418775 + 497.3482@7.3292627 7.3292627 (498.3548, 2764.0452)(499.35886, 1111.3215)(520.3375, 3343.05)(521.3371, 2149.88) 15 497.3482 497.3482@7.3292627 + 2-Formyl-1-indanone 7.342805 C07719 2-Formyl-1-indanone [ C10 H8 O2, mfg=47.54, db=73.42, overall=60.48, CAS ID=56794-24-2, KEGG ID=C07719, METLIN ID=66723 ] 56794-24-2 (178.08638, 8291.576)(179.08904, 1607.9679) 28 177.0791 2-Formyl-1-indanone + 451.235@7.3751965 7.3751965 (452.2403, 1123.245)(474.2246, 3522.35)(475.23, 914.17) 2 451.235 451.235@7.3751965 + 275.1737@7.3720307 7.3720307 (276.18118, 8511.665)(277.18738, 1422.1655)(278.18268, 655.19) 11 275.1737 275.1737@7.3720307 + C8 H4 N O2 S 7.3692026 [ C8 H4 N O2 S, mfg=68.90, overall=68.90 ] (179.00464, 9072.951)(180.00839, 1100.1757) 28 177.9973 C8 H4 N O2 S + C29 H60 N13 S3 7.3879447 [ C29 H60 N13 S3, mfg=84.85, overall=84.85 ] (687.43274, 2861.766)(688.43414, 1111.1354)(689.42786, 747.01) 31 686.4254 C29 H60 N13 S3 + Phenylenediamine 7.393098 C02454 Phenylenediamine [ C6 H8 N2, mfg=99.12, db=99.11, overall=99.11, CAS ID=25265-76-3, KEGG ID=C02454, METLIN ID=65772 ] 25265-76-3 (109.07594, 16589.32)(110.07843, 1687.1625)(126.10238, 292882.78)(127.10555, 21399.25)(128.10823, 1967.2666) 9 108.0687 Phenylenediamine + 686.9271@7.3878713 7.3878713 (687.9343, 2247.9175) 8 686.9271 686.9271@7.3878713 + 140.0583@7.4610987 7.4610987 (141.06569, 6602.4424)(142.06924, 742.702) 5 140.0583 140.0583@7.4610987 + C15 H43 N11 S3 7.4058385 [ C15 H43 N11 S3, mfg=81.84, overall=81.84 ] (474.29095, 3806.2444)(475.29477, 852.7347)(476.3058, 759.06) 26 473.2838 C15 H43 N11 S3 + C25 H45 N6 O8 S 7.4197335 [ C25 H45 N6 O8 S, mfg=87.16, overall=87.16 ] (590.30835, 8401.897)(591.3124, 2735.7795)(592.3238, 944.17334)(612.2914, 837.74) 13 589.3012 C25 H45 N6 O8 S + 261.1572@7.4086576 7.4086576 (262.1648, 3485.6)(263.16733, 791.38245) 4 261.1572 261.1572@7.4086576 + 535.2909@7.3816295 7.3816295 (536.29877, 2780.2456)(537.30383, 950.8789)(538.3067, 945.25)(553.332, 725.91)(558.2824, 1408.51) 11 535.2909 535.2909@7.3816295 + C24 H35 O10 7.4087524 [ C24 H35 O10, mfg=95.10, overall=95.10 ] (484.23035, 25868.734)(485.23383, 6240.174)(486.23596, 2207.8064)(487.23834, 542.6)(466.21967, 7131.4487)(467.2229, 1940.4199)(468.23145, 845.72)(506.2127, 2043.7881)(507.2159, 1252.33) 25 483.2231 C24 H35 O10 + C30 H49 O11 7.409736 [ C30 H49 O11, mfg=97.47, overall=97.47 ] (586.3347, 54132.477)(587.33984, 17920.365)(588.342, 4307.495)(589.34045, 1035.8478)(608.3178, 18975.18)(609.3211, 6917.12)(610.3336, 1949.22) 31 585.3275 C30 H49 O11 + C15 H37 N9 S3 7.409928 [ C15 H37 N9 S3, mfg=82.44, overall=41.22 ] (440.24026, 4125.43)(441.24435, 1165.6232)(442.2337, 859.37)(462.22446, 1096.67) 26 439.233 C15 H37 N9 S3 + 627.3389@7.43657 7.43657 (628.34393, 1906.9851)(629.3477, 957.48) 2 627.3389 627.3389@7.43657 + 202.1316@7.44014 7.44014 (405.2726, 573.58)(203.13881, 8073.104)(204.14081, 1422.8232)(205.1356, 585.72) 28 202.1316 202.1316@7.44014 + 361.2102@7.461995 7.461995 (362.21735, 1780.845) 2 361.2102 361.2102@7.461995 + Nelfinavir + 7.450638 7.450638 C07257 Nelfinavir [ C32 H45 N3 O4 S, mfg=62.12, db=62.12, overall=62.12, CAS ID=159989-64-7, KEGG ID=C07257, METLIN ID=66612 ] 159989-64-7 (568.32434, 27014.59)(569.3276, 8382.93)(570.33417, 2538.4565)(571.3358, 358.45)(590.3075, 4426.53) 33 567.3169 Nelfinavir + 7.450638 + 188.116@7.466275 7.466275 (189.12321, 6482.3564)(190.12662, 1129.8967)(171.1153, 946.35)(211.1061, 1732.775) 10 188.116 188.116@7.466275 + C23 H27 N7 O3 7.464969 [ C23 H27 N7 O3, mfg=80.08, overall=80.08 ] (450.22467, 4051.4014)(451.2289, 1195.2843) 19 449.2174 C23 H27 N7 O3 + C24 H33 O9 7.473782 [ C24 H33 O9, mfg=93.19, overall=93.19 ] (466.21964, 14852.197)(467.22327, 4273.385)(468.228, 1456.6721)(469.2355, 288.08)(488.2023, 1726.0549) 30 465.2123 C24 H33 O9 + 345.2152@7.4814754 7.4814754 (346.2225, 2634.39) 2 345.2152 345.2152@7.4814754 + C28 H39 N4 O4 7.485068 [ C28 H39 N4 O4, mfg=79.57, overall=79.57 ] (496.30417, 2934.8867)(497.30814, 914.0375) 24 495.2961 C28 H39 N4 O4 + 618.3347@7.486 7.486 (619.3419, 1942.28)(620.3498, 1037.56) 1 618.3347 618.3347@7.486 + N2-Acetyl-L-ornithine + 7.505078 7.505078 C00437 N2-Acetyl-L-ornithine [ C7 H14 N2 O3, mfg=71.63, db=71.63, overall=71.63, CAS ID=2185-16-2, KEGG ID=C00437, METLIN ID=3303 ] 2185-16-2 (175.10773, 9628.82)(176.1159, 1056.0759)(177.1122, 941.77)(197.09064, 2099.51)(198.09254, 873.39) 18 174.1006 N2-Acetyl-L-ornithine + 7.505078 + 477.9677@7.500159 7.500159 (478.97488, 2494.8652)(479.979, 991.06) 14 477.9677 477.9677@7.500159 + C23 H25 N7 O3 7.5076513 [ C23 H25 N7 O3, mfg=82.31, overall=82.31 ] (448.209, 4954.457)(449.21243, 1402.04)(470.1871, 875.36) 23 447.2017 C23 H25 N7 O3 + C43 H52 N10 7.4950185 [ C43 H52 N10, mfg=67.19, overall=67.19 ] (709.44556, 2301.3872)(710.4469, 1153.8322) 24 708.4376 C43 H52 N10 + C10 H13 N8 7.5132713 [ C10 H13 N8, mfg=74.72, overall=74.72 ] (246.13356, 6804.6553)(247.13606, 1484.7822) 28 245.1261 C10 H13 N8 + 381.1719@7.508095 7.508095 (382.17917, 4776.9204)(383.18292, 1447.9)(384.1799, 744.775)(404.16064, 5644.23)(405.16342, 1775.0065)(406.1631, 1098.57) 14 381.1719 381.1719@7.508095 + Decaline 7.5128465 C10589 Decaline [ C26 H31 N O5, mfg=79.77, db=79.76, overall=79.76, CAS ID=14727-56-1, KEGG ID=C10589, METLIN ID=68410 ] 14727-56-1 (438.22464, 15326.91)(439.22833, 3874.4604)(440.2312, 1165.8192)(460.20654, 1364.44) 23 437.2172 Decaline + C14 H27 N O S2 7.5244727 [ C14 H27 N O S2, mfg=87.63, overall=87.63 ] (290.15967, 9879.4375)(291.1621, 1938.6719)(292.1686, 965.19) 37 289.1524 C14 H27 N O S2 + 1-Aminocyclohexanecarboxylic acid + 7.5476794 7.5476794 1-Aminocyclohexanecarboxylic acid [ C7 H13 N O2, mfg=75.39, db=75.38, overall=75.38, CAS ID=2756-85-6, HMP ID=HMDB02279, METLIN ID=6589 ] 2756-85-6 (144.10191, 11024.709)(145.1038, 1532.6239) 15 143.0947 1-Aminocyclohexanecarboxylic acid + 7.5476794 HMDB02279 + 3-Butynoate 7.5481524 C06144 3-Butynoate [ C4 H4 O2, db=60.79, overall=60.79, CAS ID=2345-51-9, KEGG ID=C06144, METLIN ID=63259 ] 2345-51-9 (85.028336, 10319.71)(86.031555, 2140.7) 33 84.0211 3-Butynoate + Methylitaconate + 7.548231 7.548231 C02295 Methylitaconate [ C6 H8 O4, mfg=63.29, db=63.28, overall=63.29, CAS ID=, KEGG ID=C02295, METLIN ID=63875 ] (145.04915, 10492.139)(146.0523, 2012.52)(167.03236, 2237.5015) 31 144.0419 Methylitaconate + 7.548231 + Isopentenyladenine 7.5485244 C04083 Isopentenyladenine [ C10 H13 N5, mfg=89.65, db=89.64, overall=89.64, KEGG ID=C04083, HMP ID=HMDB02313, METLIN ID=6612 ] (407.23822, 4647.069)(408.24246, 2049.036)(429.2204, 5474.12)(204.12317, 9650087.0)(205.12651, 925383.56)(206.12848, 123714.3)(207.13124, 10698.559)(208.13385, 2359.8135)(226.10503, 18632.18)(227.10901, 2136.5732) 37 203.1159 Isopentenyladenine HMDB02313 + C16 H13 N2 O3 7.5475125 [ C16 H13 N2 O3, mfg=79.72, overall=79.72 ] (282.10028, 7574.5435)(283.1026, 1754.8807) 30 281.0929 C16 H13 N2 O3 + C7 H15 N O2 7.561096 [ C7 H15 N O2, mfg=99.84, overall=99.84 ] (146.11763, 598777.94)(147.12071, 45568.965)(148.12227, 4592.9336) 37 145.1104 C7 H15 N O2 + 211.0667@7.565759 7.565759 (212.0741, 2928.2468)(213.076, 1268.72) 3 211.0667 211.0667@7.565759 + 94.053@7.574835 7.574835 (95.06021, 7271.1323)(96.06585, 1345.045)(112.08681, 42748.61)(113.08978, 2510.708) 13 94.053 94.053@7.574835 + N-Acetyl-L-Histidine 7.5775366 C02997 N-Acetyl-L-Histidine [ C8 H11 N3 O3, mfg=65.55, db=65.53, overall=65.54, CAS ID=2497-02-1, KEGG ID=C02997, METLIN ID=44784 ] 2/1/2497 (395.1647, 1934.01)(198.08759, 4766.8364)(199.09096, 1017.05664) 13 197.0802 N-Acetyl-L-Histidine + C36 H57 S4 7.575703 [ C36 H57 S4, mfg=79.11, overall=79.11 ] (618.3395, 4108.584)(619.34296, 1648.8893)(620.3516, 1188.5533) 17 617.3327 C36 H57 S4 + 593.3329@7.587085 7.587085 (594.3403, 5268.0)(595.34827, 2068.4236)(596.3545, 1698.4814)(597.3579, 130.43)(616.3235, 2281.82)(617.3255, 1350.89) 16 593.3329 593.3329@7.587085 + 608.3146@7.587 7.587 (609.3219, 1451.18)(610.3336, 579.12) 1 608.3146 608.3146@7.587 + 128.0583@7.588201 7.588201 (129.06555, 11165.989)(130.06638, 1007.02246) 6 128.0583 128.0583@7.588201 + Alpinine 7.587975 C09331 Alpinine [ C23 H29 N O6, mfg=78.94, db=78.92, overall=78.93, CAS ID=14028-90-1, KEGG ID=C09331, METLIN ID=67607 ] 14028-90-1 (416.20398, 18611.758)(417.2076, 3987.4663)(418.2096, 1162.5956)(438.1866, 1610.6733) 25 415.1967 Alpinine + 273.1578@7.610445 7.610445 (274.16516, 3684.249)(275.169, 1128.3722) 15 273.1578 273.1578@7.610445 + C35 H72 Cl N3 O S4 7.60567 [ C35 H72 Cl N3 O S4, mfg=47.62, overall=23.81 ] (731.4585, 2108.707)(732.4582, 1177.697) 17 730.4505 C35 H72 Cl N3 O S4 + C11 H17 N8 7.595984 [ C11 H17 N8, mfg=74.39, overall=74.39 ] (262.16483, 3728.316)(263.1675, 863.8) 7 261.1577 C11 H17 N8 + Ectoine 7.634795 C06231 Ectoine [ C6 H10 N2 O2, mfg=98.13, db=98.13, overall=98.13, CAS ID=96702-03-3, KEGG ID=C06231, METLIN ID=43384 ] 96702-03-3 (143.08133, 102032.25)(144.08426, 7724.125)(145.09163, 1940.3956)(125.0727, 1293.44)(160.1086, 1598.66)(165.06267, 3879.1685) 32 142.0741 Ectoine + 6-Hydroxynicotine (R) 7.6426883 C01056 6-Hydroxynicotine (R) [ C10 H14 N2 O, mfg=61.69, db=61.69, overall=61.69, CAS ID=22956-40-7, KEGG ID=C01056, METLIN ID=1529 ] 22956-40-7 (179.1178, 13690.933)(180.11818, 2009.6283)(181.126, 2202.14) 27 178.1105 6-Hydroxynicotine (R) + Tyr Glu Ile 7.6439857 Tyr Glu Ile [ C20 H29 N3 O7, mfg=88.33, db=88.33, overall=88.33, METLIN ID=15868 ] (424.209, 12145.679)(425.2129, 2691.3154)(426.21545, 1056.5933)(446.1916, 3166.668)(447.1948, 2171.35) 29 423.2017 Tyr Glu Ile + 2-(6''-Methylthio)hexylmalic acid 7.648919 C17226 2-(6''-Methylthio)hexylmalic acid [ C11 H20 O5 S, mfg=92.54, db=92.52, overall=92.53, CAS ID=, KEGG ID=C17226, METLIN ID=64505 ] (265.1117, 168360.62)(266.1147, 24920.102)(267.10995, 8098.782)(268.1123, 1246.5992) 37 264.1044 2-(6''-Methylthio)hexylmalic acid + 5-(1-Hydroxyethyl)-4-methylthiazole 7.64864 5-(1-Hydroxyethyl)-4-methylthiazole [ C6 H9 N O S, mfg=83.67, db=83.65, overall=83.66, CAS ID=45657-12-3, METLIN ID=1874 ] 45657-12-3 (144.04735, 9657.49)(145.04893, 1292.3407)(146.04453, 982.26404) 17 143.0402 5-(1-Hydroxyethyl)-4-methylthiazole + 2-Cyanopyridine 7.6488957 C02221 2-Cyanopyridine [ C6 H4 N2, mfg=47.48, db=81.55, overall=64.51, CAS ID=100-70-9, KEGG ID=C02221, METLIN ID=65730 ] 100-70-9 (122.07142, 33037.4)(123.07618, 2637.869) 11 121.0643 2-Cyanopyridine + 505.2073@7.660431 7.660431 (506.21402, 3763.1697)(507.21796, 1202.3201)(508.2276, 684.68)(488.1995, 1106.99)(528.1948, 717.86) 9 505.2073 505.2073@7.660431 + 216.1224@7.649899 7.649899 (217.1294, 12090.235)(218.13591, 2344.0217)(219.13095, 1302.9225) 22 216.1224 216.1224@7.649899 + C19 H37 N6 O2 S3 7.654478 [ C19 H37 N6 O2 S3, mfg=87.73, overall=87.73 ] (478.2196, 11365.579)(479.22296, 3059.9453)(480.22385, 1930.7214)(481.2276, 866.63)(500.20288, 9329.37)(501.20593, 2489.86)(502.2075, 1841.76) 30 477.2123 C19 H37 N6 O2 S3 + C6 H9 N6 O2 7.681476 [ C6 H9 N6 O2, mfg=69.69, overall=69.69 ] (198.08493, 8614.486)(199.09052, 1201.28)(180.0783, 1106.67)(220.0671, 1775.2172) 29 197.0776 C6 H9 N6 O2 + C21 H31 O8 7.660317 [ C21 H31 O8, mfg=97.94, overall=97.94 ] (412.209, 143118.97)(413.2123, 29149.822)(414.21484, 5892.384)(415.2177, 1242.0359)(429.2405, 975.13)(434.19095, 18376.031)(435.19418, 4420.178)(436.19998, 1699.5299) 37 411.2017 C21 H31 O8 + 275.1734@7.676384 7.676384 (276.18124, 11811.693)(277.18698, 2194.3171)(278.1878, 824.7067) 7 275.1734 275.1734@7.676384 + C17 H18 Cl N2 7.6649547 [ C17 H18 Cl N2, mfg=70.83, overall=70.83 ] (286.12186, 8589.312)(287.12607, 2299.7146)(288.1217, 1905.395)(308.10388, 1865.2367)(309.1185, 1477.33) 27 285.1145 C17 H18 Cl N2 + 593.3322@7.6570454 7.6570454 (594.3397, 7516.845)(595.3476, 2816.457)(596.3556, 1314.428)(616.3236, 1078.34) 16 593.3322 593.3322@7.6570454 + 657.3119@7.664868 7.664868 (658.3194, 3975.1016)(659.32263, 1752.8181)(660.3203, 970.09)(640.3082, 1215.78)(680.3029, 1557.04) 7 657.3119 657.3119@7.664868 + 605.2961@7.675415 7.675415 (606.30304, 7223.81)(607.3065, 3049.98)(628.286, 4244.06)(629.289, 1472.92) 3 605.2961 605.2961@7.675415 + 4-Methylene-L-glutamine 7.691398 C01109 4-Methylene-L-glutamine [ C6 H10 N2 O3, mfg=93.47, db=93.47, overall=93.47, CAS ID=, KEGG ID=C01109, METLIN ID=63274 ] (159.07642, 15281.555)(160.08023, 2811.19)(141.06596, 4394.5303)(142.0677, 996.65)(176.10289, 56011.387)(177.10698, 5214.357)(178.10764, 1924.4344) 34 158.069 4-Methylene-L-glutamine + 437.2172@7.6887274 7.6887274 (438.22452, 10202.78)(439.2282, 2416.1582)(440.2371, 1315.25)(460.20654, 2444.1938)(461.2114, 929.39) 20 437.2172 437.2172@7.6887274 + L-Methionine S-oxide + 7.688807 7.688807 C02989 L-Methionine S-oxide [ C5 H11 N O3 S, mfg=93.51, db=93.51, overall=93.51, CAS ID=3226-65-1, KEGG ID=C02989, HMP ID=HMDB02005, METLIN ID=63430 ] 3226-65-1 (166.05302, 38621.86)(167.0557, 3485.9724)(168.05226, 3183.0486)(169.057, 536.38)(188.03503, 6820.4463)(189.03801, 1013.8939)(190.0325, 1117.65) 32 165.0457 L-Methionine S-oxide + 7.688807 HMDB02005 + 137.095@7.6975284 7.6975284 (138.10217, 8198.742)(139.10165, 1291.815) 4 137.095 137.095@7.6975284 + 131.0692@7.698 7.698 (132.0765, 11830.08)(133.0785, 1072.95) 1 131.0692 131.0692@7.698 + 140.0585@7.70209 7.70209 (141.06567, 14714.218)(142.0656, 1360.7439)(158.0914, 1375.595) 8 140.0585 140.0585@7.70209 + C12 H23 N O5 7.7137527 [ C12 H23 N O5, mfg=99.71, overall=99.71 ] (262.16498, 70692.51)(263.16806, 10067.134)(264.1704, 1639.497)(265.17404, 559.485) 37 261.1576 C12 H23 N O5 + PS(14:1(9Z)/0:0) 7.703299 PS(14:1(9Z)/0:0) [ C20 H38 N O9 P, db=94.22, overall=47.11, Lipid ID=LMGP03050032, METLIN ID=78859 ] (468.2352, 31018.64)(469.2387, 7165.9863)(470.24347, 2532.0527)(471.25497, 524.1225)(490.2174, 6882.789)(491.2213, 3118.0332)(492.21384, 1419.2367) 33 467.2279 PS(14:1(9Z)/0:0) + LMGP03050032 275.1367@7.721021 7.721021 (276.14404, 6523.2695)(277.13702, 3834.375)(278.1419, 1033.72) 32 275.1367 275.1367@7.721021 + C8 H17 N O3 7.7223306 [ C8 H17 N O3, mfg=96.11, overall=96.11 ] (176.12787, 36204.453)(177.13185, 3732.143)(178.13013, 1070.4888)(158.1168, 1548.08) 32 175.1207 C8 H17 N O3 + 129.0426@7.740634 7.740634 (130.0499, 5966.355)(147.0765, 8953.1) 2 129.0426 129.0426@7.740634 + 752.9648@7.718909 7.718909 (753.97266, 1204.2933) 3 752.9648 752.9648@7.718909 + C11 H21 N O5 7.7279415 [ C11 H21 N O5, mfg=99.05, overall=99.05 ] (248.14915, 41054.254)(249.15253, 5273.217)(250.15285, 1289.7811) 37 247.1419 C11 H21 N O5 + 419.1701@7.719386 7.719386 (420.17783, 3375.2917)(421.18176, 1406.59) 5 419.1701 419.1701@7.719386 + 317.1851@7.733579 7.733579 (318.1931, 3651.2468)(319.1969, 914.625) 3 317.1851 317.1851@7.733579 + 623.306@7.729 7.729 (624.3133, 3531.23)(625.3168, 1602.06) 1 623.306 623.306@7.729 + 187.1207@7.745295 7.745295 (188.12805, 14970.136)(189.1302, 3192.28) 6 187.1207 187.1207@7.745295 + 399.1654@7.735736 7.735736 (400.17273, 6003.378)(401.1782, 1461.164)(422.1549, 2395.6) 15 399.1654 399.1654@7.735736 + C30 H49 O10 7.7364874 [ C30 H49 O10, mfg=95.69, overall=95.69 ] (570.3398, 112544.94)(571.34326, 31787.504)(572.34595, 7462.1836)(573.352, 2350.2944)(574.353, 559.0575)(552.33, 738.52)(592.32324, 12400.416)(593.3263, 4392.091)(594.3362, 961.29803) 37 569.3327 C30 H49 O10 + 577.3184@7.73694 7.73694 (578.3254, 11246.453)(579.333, 3522.6667)(580.3424, 2492.42)(600.3119, 1026.44) 3 577.3184 577.3184@7.73694 + 393.7853@7.744 7.744 (394.7926, 806.46) 1 393.7853 393.7853@7.744 + 215.0558@7.740745 7.740745 (216.06334, 5803.4575)(217.06729, 1463.24)(198.0532, 1940.19)(238.04492, 1798.7788) 12 215.0558 215.0558@7.740745 + 142.074@7.7497344 7.7497344 (143.08127, 11397.663)(144.08176, 1213.7576) 5 142.074 142.074@7.7497344 + 172.0848@7.757964 7.757964 (173.09203, 11395.805)(174.09332, 1626.88) 4 172.0848 172.0848@7.757964 + 403.8122@7.766 7.766 (404.8195, 1310.44) 1 403.8122 403.8122@7.766 + 453.2119@7.810957 7.810957 (454.2192, 3766.2524)(455.2225, 1303.8423) 11 453.2119 453.2119@7.810957 + C21 H31 O9 7.7783823 [ C21 H31 O9, mfg=94.63, overall=94.63 ] (428.20386, 28758.232)(429.20798, 6057.1494)(430.20975, 2157.8357)(431.2129, 553.11)(450.18683, 2318.4985)(451.18845, 1116.8525) 34 427.1965 C21 H31 O9 + Trimethylamine + 7.8191104 7.8191104 C00565 Trimethylamine [ C3 H9 N, mfg=46.93, db=46.93, overall=46.93, CAS ID=75-50-3, KEGG ID=C00565, HMP ID=HMDB00906, METLIN ID=3772 ] 75-50-3 (60.080494, 4257.9033) 15 59.0732 Trimethylamine + 7.8191104 HMDB00906 + C8 H17 N O3 + 7.813616 7.813616 [ C8 H17 N O3, mfg=79.72, overall=79.72 ] (176.12819, 13175.006)(177.13208, 1865.7257) 8 175.1209 C8 H17 N O3 + 7.813616 + Amiprilose 7.8175416 Amiprilose [ C14 H27 N O6, mfg=47.23, db=72.65, overall=59.94, CAS ID=56824-20-5, METLIN ID=44328 ] 56824-20-5 (323.21732, 17956.447)(324.22092, 5834.142)(325.2207, 2059.185) 14 322.2099 Amiprilose + Acetoacetic acid 7.8188577 C00164 Acetoacetic acid [ C4 H6 O3, mfg=47.41, db=47.41, overall=47.41, CAS ID=541-50-4, Lipid ID=LMFA01060003, KEGG ID=C00164, HMP ID=HMDB00060, METLIN ID=276 ] 541-50-4 (103.0388, 6323.114)(85.0285, 1733.15)(125.0236, 1122.92) 27 102.0315 Acetoacetic acid HMDB00060 + LMFA01060003 C14 H11 N2 O2 7.8187666 [ C14 H11 N2 O2, mfg=65.30, overall=65.30 ] (240.08975, 4780.8345)(241.0918, 1361.45) 29 239.0825 C14 H11 N2 O2 + C7 H15 N O3 7.820048 [ C7 H15 N O3, mfg=99.30, overall=99.30 ] (323.2172, 2904.8992)(324.2204, 1736.99)(162.11237, 8948882.0)(163.116, 642446.94)(164.11757, 73413.98)(165.12027, 4542.139)(166.11975, 1272.1125)(184.09457, 17385.074)(185.09853, 1805.4452) 37 161.1052 C7 H15 N O3 + C20 H29 O8 7.8098283 [ C20 H29 O8, mfg=95.68, overall=95.68 ] (398.19315, 18218.56)(399.19675, 3681.7883)(400.1992, 1273.8433) 28 397.186 C20 H29 O8 + C11 H21 N O5 + 7.8318696 7.8318696 [ C11 H21 N O5, mfg=99.17, overall=99.17 ] (248.14917, 74536.04)(249.15253, 9290.872)(250.15471, 2329.056)(251.1556, 411.18) 37 247.1419 C11 H21 N O5 + 7.8318696 + 385.1498@7.806281 7.806281 (386.1571, 4590.5625)(387.16122, 1049.5343) 8 385.1498 385.1498@7.806281 + C22 H31 O3 S2 7.823626 [ C22 H31 O3 S2, mfg=86.35, overall=86.35 ] (408.17755, 8600.522)(409.1814, 2142.2732)(410.1904, 1288.48) 25 407.1702 C22 H31 O3 S2 + 413.1449@7.856848 7.856848 (414.15222, 4632.859)(415.15524, 1078.2584) 9 413.1449 413.1449@7.856848 + 581.2237@7.939148 7.939148 (582.23083, 2409.0)(583.2335, 837.69) 2 581.2237 581.2237@7.939148 + Piscerythramine 7.8594813 C10518 Piscerythramine [ C26 H29 N O6, mfg=70.96, db=70.95, overall=70.96, Lipid ID=LMPK12050157, KEGG ID=C10518, METLIN ID=47670 ] (452.20383, 9937.439)(453.2073, 2490.7522)(454.2178, 1005.2)(474.1843, 1069.07) 22 451.1965 Piscerythramine + LMPK12050157 C15 H29 N6 O6 S 7.869691 [ C15 H29 N6 O6 S, mfg=92.36, overall=92.36 ] (422.19336, 24387.201)(423.19675, 4972.8433)(424.1983, 1734.3804)(425.2052, 929.36)(444.17694, 1899.0701) 28 421.1861 C15 H29 N6 O6 S + 610.3332@7.952792 7.952792 (611.33923, 1811.245)(612.3527, 1353.8)(613.3555, 844.71) 2 610.3332 610.3332@7.952792 + C24 H39 N3 O4 S2 7.8822856 [ C24 H39 N3 O4 S2, mfg=95.76, overall=95.76 ] (498.2457, 7694.584)(499.2492, 2074.7576)(500.24664, 1005.2572)(520.2292, 1331.2314)(521.2332, 934.555) 25 497.2385 C24 H39 N3 O4 S2 + 479.192@7.890396 7.890396 (480.19888, 4516.91)(481.20224, 1384.8928)(482.21262, 987.90497) 18 479.192 479.192@7.890396 + 265.1524@7.893908 7.893908 (266.1602, 7517.856)(267.16617, 1495.0)(268.1653, 829.08) 7 265.1524 265.1524@7.893908 + 211.0957@7.9009995 7.9009995 (212.10332, 5588.595)(213.1074, 1060.3734)(234.084, 798.27) 6 211.0957 211.0957@7.9009995 + 333.1781@7.900907 7.900907 (334.18558, 2043.1068)(335.1834, 1050.09) 3 333.1781 333.1781@7.900907 + 483.1873@7.910163 7.910163 (484.1948, 2620.5051)(485.1973, 860.57)(466.1839, 2679.01)(467.1877, 761.1) 2 483.1873 483.1873@7.910163 + 363.1689@7.933963 7.933963 (364.1764, 5693.751)(365.17883, 1751.9619)(366.1806, 1005.62) 11 363.1689 363.1689@7.933963 + C27 H41 S4 7.923307 [ C27 H41 S4, mfg=83.33, overall=83.33 ] (494.21436, 5450.3735)(495.21793, 1683.264)(496.2262, 1115.1425)(516.19354, 1034.8934) 24 493.2071 C27 H41 S4 + AK-toxin I 7.926347 C16787 AK-toxin I [ C23 H27 N O6, mfg=69.30, db=69.26, overall=69.28, CAS ID=85146-09-4, KEGG ID=C16787, METLIN ID=71341 ] 85146-09-4 (414.18835, 6045.305)(415.19232, 1613.597)(416.1931, 794.9)(396.17758, 2909.1016)(397.18066, 964.29504)(436.1711, 894.75) 19 413.1811 AK-toxin I + 395.1702@7.932486 7.932486 (396.17703, 2218.636)(397.18118, 939.35004) 5 395.1702 395.1702@7.932486 + C19 H19 N7 O3 7.9376903 [ C19 H19 N7 O3, mfg=83.54, overall=83.54 ] (394.1622, 7251.512)(395.16602, 1667.7006) 22 393.1548 C19 H19 N7 O3 + 383.1343@7.940375 7.940375 (384.1414, 4610.4053)(385.14508, 1384.4225) 8 383.1343 383.1343@7.940375 + 350.1736@7.9568853 7.9568853 (351.1812, 3734.8674)(352.18436, 1243.8916) 8 350.1736 350.1736@7.9568853 + C20 H25 O9 7.9448395 [ C20 H25 O9, mfg=93.89, overall=93.89 ] (410.15717, 8009.6333)(411.1612, 1748.7878)(412.1643, 672.895) 21 409.1499 C20 H25 O9 + 465.1764@7.9728107 7.9728107 (466.1835, 5571.906)(467.18677, 1595.7246)(468.19382, 732.36993) 22 465.1764 465.1764@7.9728107 + C18 H29 N3 O2 S2 7.974307 [ C18 H29 N3 O2 S2, mfg=91.27, overall=91.27 ] (384.17722, 7278.4526)(385.18088, 1462.1777)(386.17932, 884.87) 23 383.1699 C18 H29 N3 O2 S2 + 483.2226@7.9873667 7.9873667 (484.22995, 10748.792)(485.23346, 2982.5754)(486.23535, 1179.53)(506.2155, 630.48) 19 483.2226 483.2226@7.9873667 + C17 H33 N3 O2 S3 7.9851956 [ C17 H33 N3 O2 S3, mfg=75.73, overall=75.73 ] (408.1777, 13456.771)(409.1815, 2898.1438)(410.1879, 2814.0144)(411.1947, 1544.73)(430.15988, 1845.9501)(431.1639, 937.11) 22 407.1704 C17 H33 N3 O2 S3 + C17 H31 N3 O8 S 7.98799 [ C17 H31 N3 O8 S, mfg=87.50, overall=87.50 ] (438.18832, 40721.99)(439.1916, 8328.936)(440.20175, 4158.7236)(441.2063, 839.12994)(460.17084, 3631.9656)(461.1756, 2062.33)(462.1858, 1236.71) 33 437.181 C17 H31 N3 O8 S + 451.161@8.014229 8.014229 (452.16812, 3442.7822)(453.1708, 1154.1917)(454.18182, 799.47) 9 451.161 451.161@8.014229 + 261.1211@8.051272 8.051272 (262.12827, 3264.3738)(263.13116, 905.305) 14 261.1211 261.1211@8.051272 + Novobiocic acid 8.048765 C12474 Novobiocic acid [ C22 H21 N O6, mfg=70.62, db=70.61, overall=70.61, CAS ID=, KEGG ID=C12474, METLIN ID=64595 ] (396.14136, 7900.5635)(397.14566, 1618.9225)(398.1518, 718.13806)(418.1244, 1114.04) 21 395.1342 Novobiocic acid + 359.134@8.060961 8.060961 (360.14148, 6960.1353)(361.14523, 1306.2855)(362.1523, 709.57)(382.12323, 677.61) 18 359.134 359.134@8.060961 + Thr Phe Asp 8.075741 Thr Phe Asp [ C17 H23 N3 O7, mfg=93.55, db=93.55, overall=93.55, METLIN ID=19476 ] (382.16208, 31813.75)(383.16528, 5538.144)(384.16974, 1129.4846)(404.1445, 1367.2699)(405.1477, 850.78) 32 381.1548 Thr Phe Asp + 195.1366@8.126203 8.126203 (391.28043, 7126.892)(392.2839, 2058.1367)(196.14378, 10792.22)(197.14447, 1001.96) 6 195.1366 195.1366@8.126203 + C21 H35 O3 S2 8.139973 [ C21 H35 O3 S2, mfg=84.18, overall=84.18 ] (400.2092, 5642.014)(401.21146, 1667.4746)(402.21802, 806.8433)(422.1908, 1063.6799) 23 399.2018 C21 H35 O3 S2 + 369.1543@8.145372 8.145372 (370.16156, 6088.9795)(371.165, 1309.7207)(372.168, 676.87) 18 369.1543 369.1543@8.145372 + 419.1704@8.163052 8.163052 (420.17783, 3319.1567)(421.18054, 1276.5326) 9 419.1704 419.1704@8.163052 + C11 H23 N6 O6 S 8.174992 [ C11 H23 N6 O6 S, mfg=87.39, overall=43.69 ] (368.1465, 27673.6)(369.14978, 4948.9253)(370.1595, 2098.66)(390.12863, 1436.6808)(391.1318, 1088.95) 35 367.1392 C11 H23 N6 O6 S + 541.1924@8.202197 8.202197 (542.1995, 3282.1218)(543.2025, 1161.295)(544.208, 154.69)(564.1829, 1028.07) 6 541.1924 541.1924@8.202197 + L-isoleucyl-L-proline 8.215546 L-isoleucyl-L-proline [ C11 H20 N2 O3, mfg=98.33, db=98.33, overall=98.33, HMP ID=HMDB11174, METLIN ID=62022 ] (229.15471, 39262.54)(230.1583, 4919.8403)(231.16066, 1182.6055) 32 228.1474 L-isoleucyl-L-proline HMDB11174 + C15 H24 Cl N8 O2 8.2026005 [ C15 H24 Cl N8 O2, mfg=75.81, overall=75.81 ] (384.17743, 6098.38)(385.18097, 1485.3016)(386.1814, 1735.75)(406.1612, 672.51) 23 383.1702 C15 H24 Cl N8 O2 + C20 H27 O9 8.237802 [ C20 H27 O9, mfg=96.25, overall=96.25 ] (412.17276, 60481.04)(413.17612, 11231.433)(414.17926, 3037.9968)(415.18347, 686.3775)(434.15445, 2705.4822)(435.1573, 1146.782) 33 411.1653 C20 H27 O9 + 216.1474@8.275755 8.275755 (217.15485, 4524.2026)(218.15659, 1772.9261)(199.1438, 952.86) 8 216.1474 216.1474@8.275755 + C23 H33 O5 S2 8.278235 [ C23 H33 O5 S2, mfg=86.47, overall=86.47 ] (454.18323, 10793.415)(455.1868, 2574.9575)(456.19727, 1133.8767)(476.165, 731.78) 27 453.176 C23 H33 O5 S2 + 369.1548@8.278993 8.278993 (370.16196, 6399.3345)(371.16537, 1371.1024)(372.168, 821.1)(392.1444, 3858.29)(393.1491, 938.74) 16 369.1548 369.1548@8.278993 + C17 H23 O8 8.282548 [ C17 H23 O8, mfg=96.87, overall=96.87 ] (356.14655, 68106.125)(357.14996, 10611.297)(358.15182, 2700.1765)(359.15427, 384.45)(378.12836, 4010.0046)(379.13275, 1400.53)(380.1395, 1037.9) 36 355.1392 C17 H23 O8 + Aureothin 8.283623 C15689 Aureothin [ C22 H23 N O6, mfg=74.21, db=74.19, overall=74.20, CAS ID=2825-00-5, KEGG ID=C15689, METLIN ID=71024 ] 2825-00-5 (398.1572, 57859.477)(399.16025, 10145.167)(400.16257, 2403.1772)(401.16476, 885.2834)(420.13864, 4799.16)(421.14276, 2476.7048)(422.1445, 1525.13) 34 397.1498 Aureothin + (+)-Adlumine 8.348879 C09324 (+)-Adlumine [ C21 H21 N O6, mfg=68.21, db=68.11, overall=68.16, CAS ID=524-46-9, KEGG ID=C09324, METLIN ID=67602 ] 524-46-9 (384.14154, 4446.6606)(385.14505, 1053.8383) 16 383.1342 (+)-Adlumine + 501.1973@8.357112 8.357112 (502.20422, 10903.195)(503.20786, 3110.7417)(504.20825, 1274.89)(524.1886, 1749.8121)(525.1919, 1292.64) 17 501.1973 501.1973@8.357112 + C6 H15 N5 O 8.369782 [ C6 H15 N5 O, mfg=51.72, overall=51.72 ] (174.13507, 6715.6987)(175.14185, 1063.3993)(176.12814, 1105.98) 31 173.1276 C6 H15 N5 O + C17 H23 O9 8.393641 [ C17 H23 O9, mfg=98.87, overall=98.87 ] (372.14145, 22913.193)(373.14474, 4426.4604)(374.14645, 1230.0193)(394.12335, 1432.395) 30 371.1341 C17 H23 O9 + 1-Aminocyclohexanecarboxylic acid + 8.401059 8.401059 1-Aminocyclohexanecarboxylic acid [ C7 H13 N O2, mfg=86.29, db=86.29, overall=86.29, CAS ID=2756-85-6, HMP ID=HMDB02279, METLIN ID=6589 ] 2756-85-6 (144.10182, 21198.22)(145.10501, 2074.534)(146.0929, 726.93) 33 143.0945 1-Aminocyclohexanecarboxylic acid + 8.401059 HMDB02279 + 294.159@8.403537 8.403537 (589.3243, 1698.3086)(590.3277, 924.69806)(295.16632, 7507.529)(296.17188, 1537.4508) 16 294.159 294.159@8.403537 + C16 H21 O8 8.402435 [ C16 H21 O8, mfg=96.03, overall=96.03 ] (342.1309, 57234.188)(343.13525, 8552.715)(344.1365, 2245.769)(345.1397, 647.235)(364.11307, 2783.4878)(365.1217, 2235.58)(366.1241, 784.44) 36 341.1236 C16 H21 O8 + L-isoleucyl-L-proline + 8.420621 8.420621 L-isoleucyl-L-proline [ C11 H20 N2 O3, mfg=99.24, db=99.24, overall=99.24, HMP ID=HMDB11174, METLIN ID=62022 ] (229.15472, 52601.26)(230.1581, 6418.7334)(231.16046, 1192.1011) 36 228.1474 L-isoleucyl-L-proline + 8.420621 HMDB11174 + 487.1815@8.412524 8.412524 (488.18857, 7009.051)(489.1923, 1732.943)(490.19434, 1046.645)(510.17078, 1332.01) 12 487.1815 487.1815@8.412524 + 369.1188@8.448504 8.448504 (370.12613, 2285.1667)(371.1265, 744.02) 3 369.1188 369.1188@8.448504 + 369.154@8.442224 8.442224 (370.16144, 4085.4905)(371.16443, 1898.99) 9 369.154 369.154@8.442224 + 393.1551@8.445452 8.445452 (394.16208, 3696.218)(395.16547, 1218.0544) 14 393.1551 393.1551@8.445452 + 483.1867@8.491454 8.491454 (484.19394, 9474.989)(485.19754, 2325.7178)(486.20023, 797.04004) 22 483.1867 483.1867@8.491454 + C22 H21 N14 8.498788 [ C22 H21 N14, mfg=79.89, overall=79.89 ] (482.21423, 6793.8613)(483.21875, 1975.7766)(504.1983, 1114.01) 18 481.207 C22 H21 N14 + C18 H37 N3 O4 S3 8.513063 [ C18 H37 N3 O4 S3, mfg=84.98, overall=84.98 ] (456.19864, 7598.4565)(457.20215, 1734.4873)(458.21155, 1223.0388)(459.2153, 564.96)(438.1879, 803.91)(478.1802, 979.63) 22 455.1916 C18 H37 N3 O4 S3 + Pirbuterol 8.521822 C07807 Pirbuterol [ C12 H20 N2 O3, mfg=96.33, db=96.33, overall=96.33, CAS ID=38677-81-5, KEGG ID=C07807, METLIN ID=66744 ] 38677-81-5 (241.15475, 16064.77)(242.15823, 2309.7666)(243.16014, 758.49664) 29 240.1475 Pirbuterol + C16 H21 O9 8.537281 [ C16 H21 O9, mfg=94.34, overall=94.34 ] (358.12585, 16653.379)(359.12912, 3097.7986)(360.13065, 1308.8184)(380.10794, 1420.2965) 30 357.1184 C16 H21 O9 + 379.1388@8.534253 8.534253 (380.14606, 5092.4185)(381.1497, 1327.839) 13 379.1388 379.1388@8.534253 + 274.1529@8.562133 8.562133 (275.16028, 3793.666)(276.16272, 850.70496) 5 274.1529 274.1529@8.562133 + 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide 8.5739155 C19605 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide [ C16 H23 N3 O8, mfg=85.22, db=85.21, overall=85.21, CAS ID=131119-04-5, KEGG ID=C19605, METLIN ID=73260 ] 131119-04-5 (386.157, 9858.055)(387.16052, 1877.2124)(388.16177, 979.45996)(408.1392, 1540.66) 19 385.1496 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide + C20 H27 O10 8.579807 [ C20 H27 O10, mfg=93.39, overall=93.39 ] (428.16754, 14972.55)(429.17108, 3124.7668)(430.17603, 1203.7266)(450.1506, 1370.11) 27 427.1603 C20 H27 O10 + C23 H33 O6 S2 8.584128 [ C23 H33 O6 S2, mfg=88.15, overall=88.15 ] (470.17798, 7881.014)(471.18173, 1956.0505)(472.1854, 1016.345)(492.1592, 1223.13) 23 469.1709 C23 H33 O6 S2 + 88.1003@8.622852 8.622852 (89.10765, 4273.125) 2 88.1003 88.1003@8.622852 + 403.1671@8.659815 8.659815 (404.17444, 16924.348)(405.17673, 4159.8325)(406.17224, 2131.825)(407.1742, 480.21)(426.15668, 9856.649)(427.1599, 4152.55) 4 403.1671 403.1671@8.659815 + 371.1341@8.660931 8.660931 (372.14142, 7243.3853)(373.1449, 1387.1876)(374.1476, 1150.09)(394.1236, 1028.95) 15 371.1341 371.1341@8.660931 + L-Arginine 8.715344 C00062 L-Arginine [ C6 H14 N4 O2, mfg=97.16, db=93.06, overall=95.11, CAS ID=74-79-3, KEGG ID=C00062, HMP ID=HMDB00517, METLIN ID=13 ] 74-79-3 (349.23035, 17870.52)(350.23346, 2860.0103)(351.2341, 784.18)(371.21265, 3900.085)(175.11879, 92057.125)(176.12311, 8439.487)(177.1266, 2020.0898)(178.1259, 459.025)(197.10138, 3101.2856)(198.10446, 1406.6599) 35 174.1115 L-Arginine HMDB00517 + Noscapine 8.678719 C09592 Noscapine [ C22 H23 N O7, mfg=68.25, db=68.25, overall=68.25, CAS ID=128-62-1, KEGG ID=C09592, METLIN ID=43280 ] 128-62-1 (414.152, 9784.754)(415.15594, 2054.9895)(416.16504, 1075.41)(436.13425, 1702.145) 21 413.145 Noscapine + C10 H18 N4 8.7831 [ C10 H18 N4, mfg=86.61, overall=86.61 ] (195.16023, 10071.844)(196.163, 1442.5385) 36 194.153 C10 H18 N4 + C20 H29 O10 8.781829 [ C20 H29 O10, mfg=95.57, overall=95.57 ] (430.1831, 20212.908)(431.18643, 3862.2615)(432.18863, 1344.725)(412.1726, 970.545)(452.1652, 2526.9998)(453.1693, 1469.16)(454.1821, 456.32) 22 429.1759 C20 H29 O10 + 437.1805@8.860454 8.860454 (438.18802, 4003.57)(439.19235, 1224.215) 3 437.1805 437.1805@8.860454 + Val Ile 8.871842 Val Ile [ C11 H22 N2 O3, mfg=61.37, db=61.36, overall=61.37, METLIN ID=23923 ] (231.17015, 3468.7031)(232.17287, 1046.4786) 19 230.163 Val Ile + C22 H35 N3 O5 S2 8.86654 [ C22 H35 N3 O5 S2, mfg=92.14, overall=92.14 ] (486.20932, 6926.3027)(487.2127, 1735.1676)(488.21225, 823.49664)(508.1944, 2744.56)(509.1964, 978.95) 21 485.2023 C22 H35 N3 O5 S2 + Arg-OEt 8.948673 C01404 Arg-OEt [ C8 H18 N4 O2, mfg=95.23, db=95.23, overall=95.23, KEGG ID=C01404, METLIN ID=65589 ] (203.15022, 50460.03)(204.15335, 6153.2837)(205.15521, 2075.081)(206.1567, 150.67)(185.1418, 712.42)(225.13264, 2200.4968)(226.133, 1015.39) 36 202.1429 Arg-OEt + 471.1863@8.920616 8.920616 (472.19373, 8479.84)(473.19745, 1951.6865)(474.1996, 1974.56)(494.17584, 25587.14)(495.17926, 4973.44)(496.18732, 1532.02) 18 471.1863 471.1863@8.920616 + 129.079@8.977807 8.977807 (130.08684, 21142.217)(131.08664, 4785.9175)(147.11272, 89049.625)(148.11394, 12355.317)(149.11523, 1898.055) 12 129.079 129.079@8.977807 + 485.2023@8.946024 8.946024 (486.20944, 5512.6724)(487.21292, 1676.8018)(488.2001, 1136.55)(508.19275, 7130.5225)(509.1949, 3033.045)(510.19095, 2491.55) 8 485.2023 485.2023@8.946024 + Nitrilacarb 9.017194 C18954 Nitrilacarb [ C9 H15 N3 O2, mfg=91.10, db=91.10, overall=91.10, CAS ID=29672-19-3, KEGG ID=C18954, METLIN ID=72714 ] 29672-19-3 (395.2387, 745.72)(417.2219, 2704.39)(418.2265, 955.37)(198.1236, 33665.707)(199.12766, 3820.7366)(200.13048, 1670.56)(220.10587, 8217.316)(221.10962, 3761.9297)(222.1124, 1655.38) 32 197.1164 Nitrilacarb + 153.1263@9.018139 9.018139 (154.13358, 14593.766)(155.13664, 2269.9268) 4 153.1263 153.1263@9.018139 + Ne-Methyl-L-lysine 9.063201 C02728 Ne-Methyl-L-lysine [ C7 H16 N2 O2, mfg=76.12, db=76.12, overall=76.12, CAS ID=7622-29-9, KEGG ID=C02728, METLIN ID=49 ] 7622-29-9 (161.12854, 29935.525)(162.12787, 3962.9365)(163.12886, 1436.202)(143.1178, 3607.7)(183.1093, 1940.24) 10 160.1213 Ne-Methyl-L-lysine + N1-Acetylspermidine + 9.039678 9.039678 C00612 N1-Acetylspermidine [ C9 H21 N3 O, mfg=95.65, db=95.65, overall=95.65, CAS ID=14278-49-0, KEGG ID=C00612, HMP ID=HMDB01276, METLIN ID=3323 ] 14278-49-0 (188.17574, 31473.43)(189.17877, 3760.0989)(190.1815, 1333.625) 37 187.1685 N1-Acetylspermidine + 9.039678 HMDB01276 + C7 H18 N2 O 9.048305 [ C7 H18 N2 O, mfg=98.78, overall=98.78 ] (147.14882, 49833.203)(148.15207, 4344.329)(149.154, 684.65) 36 146.1415 C7 H18 N2 O + Xamoterol + 9.089115 9.089115 C11775 Xamoterol [ C16 H25 N3 O5, mfg=47.41, db=63.66, overall=55.53, CAS ID=81801-12-9, KEGG ID=C11775, METLIN ID=69212 ] 81801-12-9 (357.21298, 4658.488)(358.21597, 1282.5399)(359.2077, 686.92) 15 356.2057 Xamoterol + 9.089115 + 166.1215@9.100229 9.100229 (167.12894, 5955.3364)(168.12834, 998.9262)(169.1333, 480.27002) 23 166.1215 166.1215@9.100229 + 282.1027@9.106885 9.106885 (283.11026, 7912.457)(305.09155, 2077.385) 6 282.1027 282.1027@9.106885 + C8 H17 N5 O S3 9.1069975 [ C8 H17 N5 O S3, mfg=91.71, overall=45.86 ] (296.06573, 16366.366)(297.0681, 2015.3429)(298.06534, 1965.5316)(299.0685, 356.23) 8 295.0583 C8 H17 N5 O S3 + 5-Methylcytidine + 9.106024 9.106024 5-Methylcytidine [ C10 H15 N3 O5, mfg=88.41, db=85.25, overall=86.83, CAS ID=2140-61-6, HMP ID=HMDB00982, METLIN ID=5919 ] 2140-61-6 (515.2124, 78089.12)(516.2165, 19156.88)(517.2178, 6574.725)(518.22205, 899.975)(537.1946, 369112.62)(538.19824, 282268.53)(539.2, 61585.125)(540.204, 9112.109)(258.11023, 707437.1)(259.11353, 65181.887)(260.1151, 10904.269)(261.114, 2631.6099)(280.09183, 130588.83)(281.09537, 12262.793)(282.09677, 3727.1555) 37 257.1029 5-Methylcytidine + 9.106024 HMDB00982 + 514.205@9.116129 9.116129 (515.21216, 1647.44)(537.1942, 72696.29)(538.19763, 13330.195)(539.19995, 3073.2202)(540.2045, 475.78) 2 514.205 514.205@9.116129 + Asn-Abu-OH 9.107249 Asn-Abu-OH [ C13 H15 N3 O7, mfg=42.72, db=72.80, overall=57.76, METLIN ID=65287 ] (348.07892, 5280.3594)(349.0822, 1368.304)(350.0864, 628.55) 18 347.0717 Asn-Abu-OH + 220.0113@9.11466 9.11466 (221.01846, 4323.173)(222.023, 867.72) 4 220.0113 220.0113@9.11466 + C5 H13 N O + 9.106265 9.106265 [ C5 H13 N O, mfg=99.18, overall=99.18 ] (207.2067, 1553.17)(104.10697, 50925.31)(105.110306, 3333.9094)(106.111176, 785.1725) 37 103.0997 C5 H13 N O + 9.106265 + C20 H13 N O 9.106441 [ C20 H13 N O, mfg=84.95, overall=84.95 ] (284.10657, 8684.476)(285.11032, 2823.0686)(286.11072, 1507.05)(306.0884, 4113.727)(307.09174, 925.53503) 32 283.0994 C20 H13 N O + 337.0444@9.121 9.121 (338.0505, 1407.28)(360.0365, 624.41) 1 337.0444 337.0444@9.121 + 439.1712@9.229519 9.229519 (440.17856, 2754.605)(441.18134, 1107.96) 4 439.1712 439.1712@9.229519 + C6 H13 N O + 9.280245 9.280245 [ C6 H13 N O, mfg=86.31, overall=86.31 ] (116.10689, 23754.86)(117.10885, 1571.6462) 35 115.0996 C6 H13 N O + 9.280245 + C8 H20 N2 O 9.280586 [ C8 H20 N2 O, mfg=99.41, overall=99.41 ] (161.16469, 782484.75)(162.16805, 69340.336)(163.17049, 4831.1494)(164.1739, 185.13)(183.1474, 1357.095) 37 160.1574 C8 H20 N2 O + D-2-Amino-hexano-6-lactam 9.330056 C05328 D-2-Amino-hexano-6-lactam [ C6 H12 N2 O, mfg=97.41, db=97.41, overall=97.41, KEGG ID=C05328, METLIN ID=66307 ] (129.10216, 48405.297)(130.10503, 3982.0994)(131.11368, 894.78754)(111.0916, 2573.06) 22 128.0949 D-2-Amino-hexano-6-lactam + C7 H18 N2 O2 9.919817 [ C7 H18 N2 O2, mfg=83.19, overall=83.19 ] (163.1438, 12771.644)(164.14557, 1330.3322) 37 162.1366 C7 H18 N2 O2 + 7,8-Diaminononanoate 9.950603 C01037 7,8-Diaminononanoate [ C9 H20 N2 O2, mfg=94.39, db=94.39, overall=94.39, CAS ID=21738-21-6, KEGG ID=C01037, METLIN ID=3324 ] 21738-21-6 (189.15968, 21784.914)(190.16263, 2645.6218)(191.16252, 974.954)(211.1427, 1350.54) 36 188.1524 7,8-Diaminononanoate + C8 H20 N2 O2 10.279087 [ C8 H20 N2 O2, mfg=99.84, overall=99.84 ] (177.15967, 131088.95)(178.16286, 13018.617)(179.16476, 1272.0023) 37 176.1524 C8 H20 N2 O2 + C9 H14 N4 10.504826 [ C9 H14 N4, mfg=72.08, overall=72.08 ] (357.24924, 4759.2397)(358.2521, 1677.3558)(359.2531, 633.63)(179.1284, 5821.728)(180.1314, 1117.87) 17 178.1212 C9 H14 N4 + 184.1215@10.612499 10.612499 (369.24924, 2161.2734)(370.2538, 727.72)(185.1292, 3718.64) 3 184.1215 184.1215@10.612499 + C8 H20 N2 O3 10.729886 [ C8 H20 N2 O3, mfg=97.30, overall=97.30 ] (193.15445, 43586.05)(194.1576, 5200.1265)(195.1583, 1193.1718) 37 192.1472 C8 H20 N2 O3 + 205.1453@11.311016 11.311016 (206.15233, 4656.518)(207.15625, 756.1) 6 205.1453 205.1453@11.311016 + 274.0844@0.72528106 0.72528106 (275.09192, 3372.2031)(276.0954, 1097.375) 6 274.0844 274.0844@0.72528106 + 354.0404@0.7261141 0.7261141 (355.04785, 10493.019)(356.05093, 1917.5834)(357.0484, 1487.1599)(372.0729, 1375.74)(377.03003, 2467.8462) 6 354.0404 354.0404@0.7261141 + 1423.3789@0.7527907 0.7527907 (1424.3862, 953.06)(1425.388, 1177.2)(1426.3872, 939.48) 1 1423.3789 1423.3789@0.7527907 + 395.7803@0.75311327 0.75311327 (396.788, 4016.7383) 6 395.7803 395.7803@0.75311327 + 205.0409@0.7963179 0.7963179 (411.08865, 2813.225)(428.1149, 6689.8564)(429.11826, 2034.6733)(430.11414, 1659.03)(433.07104, 1573.16)(434.0738, 669.57)(206.04831, 6649.657)(207.0536, 1315.41)(208.0501, 927.5)(223.0749, 6483.745)(224.08076, 1513.2233)(225.076, 956.74)(228.03014, 1598.7775) 10 205.0409 205.0409@0.7963179 + 231.9787@0.79790866 0.79790866 (232.98567, 5553.2397)(233.99104, 1134.355) 10 231.9787 231.9787@0.79790866 + 374.2093@0.81476605 0.81476605 (375.2174, 1759.49)(376.2292, 709.72)(377.2251, 674.6)(397.1978, 1821.0) 1 374.2093 374.2093@0.81476605 + 360.1945@0.8177649 0.8177649 (361.2011, 1611.93)(362.2042, 564.9)(383.1844, 2088.99) 1 360.1945 360.1945@0.8177649 + 369.2536@0.81876445 0.81876445 (370.2608, 4758.95)(371.2633, 1882.28) 1 369.2536 369.2536@0.81876445 + 275.2818@0.819764 0.819764 (276.2891, 2542.52) 1 275.2818 275.2818@0.819764 + 355.239@0.83730763 0.83730763 (356.2464, 4452.5)(357.2487, 1212.0701)(358.247, 1030.54) 2 355.239 355.239@0.83730763 + 341.2233@0.8217632 0.8217632 (342.2305, 3670.89)(343.2317, 1033.15) 1 341.2233 341.2233@0.8217632 + C9 H9 N O4 S3 0.8255239 [ C9 H9 N O4 S3, mfg=82.12, overall=82.12 ] (291.97665, 5667.585)(292.9799, 1272.1866)(293.9726, 1274.23)(313.9587, 980.3483) 7 290.9693 C9 H9 N O4 S3 + 327.2072@0.82776076 0.82776076 (328.2145, 4156.98)(329.2153, 784.96) 1 327.2072 327.2072@0.82776076 + 396.2543@0.83775663 0.83775663 (397.2625, 2847.89)(398.2713, 1217.41)(414.288, 8097.36)(415.2934, 1907.11)(416.279, 803.61)(419.2432, 5726.14)(420.2499, 1488.83)(421.2445, 953.61) 1 396.2543 396.2543@0.83775663 + 316.2974@0.83775663 0.83775663 (317.305, 4080.69)(318.3088, 1242.69)(334.3311, 12351.27)(335.3346, 2939.21) 1 316.2974 316.2974@0.83775663 + 440.2228@0.8019272 0.8019272 (441.22754, 2368.8452)(442.2342, 984.6)(458.2571, 4314.76)(459.2605, 1189.85) 2 440.2228 440.2228@0.8019272 + 382.2384@0.841755 0.841755 (383.2462, 2359.26)(400.2718, 5915.28)(401.2739, 1715.04)(402.2768, 890.0)(405.2279, 5603.71)(406.2322, 1516.93) 1 382.2384 382.2384@0.841755 + 302.2819@0.84275454 0.84275454 (303.2891, 5199.12)(304.2934, 1527.25)(320.3159, 11790.35)(321.3188, 2309.09)(325.2703, 1497.93) 1 302.2819 302.2819@0.84275454 + 368.2227@0.8437541 0.8437541 (369.2299, 2332.43)(386.2565, 4100.24) 1 368.2227 368.2227@0.8437541 + 426.2026@0.8467529 0.8467529 (427.2098, 1949.17) 1 426.2026 426.2026@0.8467529 + 288.2662@0.8467529 0.8467529 (289.2736, 5173.6)(290.277, 1019.8)(306.2999, 7776.41)(307.3028, 1626.8)(311.2552, 1959.88) 1 288.2662 288.2662@0.8467529 + 477.161@0.8507512 0.8507512 (478.1683, 1704.47)(479.1707, 725.94) 1 477.161 477.161@0.8507512 + 274.2507@0.8685777 0.8685777 (275.25815, 3959.62)(276.2618, 1408.28)(292.28418, 5802.095)(293.28885, 1183.095)(297.241, 1146.24) 2 274.2507 274.2507@0.8685777 + 354.2084@0.87007654 0.87007654 (355.2149, 1599.78)(372.24045, 3808.1)(373.2389, 850.55)(377.1979, 4149.1)(378.20465, 1036.415) 2 354.2084 354.2084@0.87007654 + 456.1225@0.8667444 0.8667444 (457.1298, 2170.56)(458.138, 813.52) 1 456.1225 456.1225@0.8667444 + 391.3661@0.8777398 0.8777398 (392.3734, 4333.57)(393.3741, 1468.36) 1 391.3661 391.3661@0.8777398 + 462.2624@0.87873936 0.87873936 (463.2696, 14784.29)(464.2732, 4043.21)(465.27, 1411.2)(485.2521, 2240.24) 1 462.2624 462.2624@0.87873936 + 471.3227@0.87873936 0.87873936 (472.3299, 3823.99)(473.332, 1534.68) 1 471.3227 471.3227@0.87873936 + 444.1216@0.87973887 0.87973887 (445.1288, 3686.68) 1 444.1216 444.1216@0.87973887 + 335.9627@0.88354564 0.88354564 (336.97095, 1713.8926) 4 335.9627 335.9627@0.88354564 + 457.3072@0.8808576 0.8808576 (458.31403, 16163.694)(459.31836, 5171.705)(460.318, 2929.22) 2 457.3072 457.3072@0.8808576 + 360.3234@0.88173807 0.88173807 (361.3306, 6726.68)(362.3342, 2000.51)(378.3572, 25188.86)(379.3606, 6191.23)(380.3608, 1217.63) 1 360.3234 360.3234@0.88173807 + 443.2911@0.89421016 0.89421016 (444.29916, 7775.872)(445.30566, 3690.1702)(446.3008, 2419.07) 5 443.2911 443.2911@0.89421016 + 346.3078@0.8867359 0.8867359 (347.3155, 7409.56)(348.3182, 2425.71)(364.3415, 26890.3)(365.3446, 5902.53)(366.3481, 1086.18)(369.2979, 1616.97) 1 346.3078 346.3078@0.8867359 + 448.2464@0.8867359 0.8867359 (449.2536, 11694.62)(450.2572, 3217.95)(471.236, 1443.69) 1 448.2464 448.2464@0.8867359 + 332.2922@0.88973457 0.88973457 (333.2998, 6446.26)(334.3045, 1620.11)(350.3259, 21157.73)(351.3289, 5324.99)(352.3279, 1679.03)(355.2817, 1796.54) 1 332.2922 332.2922@0.88973457 + 429.2755@0.88967365 0.88967365 (430.28336, 13092.995)(431.2866, 4716.53)(432.2808, 2947.85) 2 429.2755 429.2755@0.88967365 + 434.2311@0.8927333 0.8927333 (435.2383, 8396.71)(436.2426, 2308.19)(437.2409, 1214.73) 1 434.2311 434.2311@0.8927333 + Undecylprodigiosin 0.90340513 C12023 Undecylprodigiosin [ C25 H35 N3 O, mfg=47.59, db=70.58, overall=59.08, CAS ID=52340-48-4, KEGG ID=C12023, METLIN ID=69260 ] 52340-48-4 (416.26712, 9138.371)(417.27188, 2314.42)(418.2699, 1543.5549) 6 415.2599 Undecylprodigiosin + 318.2767@0.91219157 0.91219157 (319.2842, 5281.187)(320.2869, 1276.7)(336.3104, 13669.641)(337.31393, 3020.9265)(341.2677, 1313.0701) 3 318.2767 318.2767@0.91219157 + 420.2157@0.9125251 0.9125251 (421.22354, 7534.3433)(422.2292, 2144.885)(423.2244, 1210.6599)(443.2045, 2390.18)(444.2074, 917.77) 3 420.2157 420.2157@0.9125251 + C9 H6 N3 O6 S 0.92708063 [ C9 H6 N3 O6 S, mfg=93.59, overall=93.59 ] (590.9817, 1521.9578)(591.9863, 640.09)(285.00394, 12178.98)(286.00748, 1486.9506)(287.0043, 973.00995)(306.98575, 6915.381)(307.989, 995.1475)(308.99072, 809.28) 25 283.9965 C9 H6 N3 O6 S + 3-Hydroxy-4-methoxyphenylacetic acid 0.9300586 3-Hydroxy-4-methoxyphenylacetic acid [ C9 H10 O4, mfg=78.09, db=78.06, overall=78.08, CAS ID=1131-94-8, METLIN ID=3794 ] 1131-94-8 (183.06586, 10820.324)(184.06879, 1619.1719)(165.05571, 6424.5044)(166.0551, 1580.9)(167.0451, 848.41)(200.09198, 10458.161)(201.09969, 1915.3005)(202.09085, 1769.2625)(205.04895, 2430.3071) 26 182.0588 3-Hydroxy-4-methoxyphenylacetic acid + 515.3492@0.93471485 0.93471485 (516.3565, 3062.23) 1 515.3492 515.3492@0.93471485 + 404.3498@0.9387131 0.9387131 (405.3571, 3447.47)(406.3601, 987.18)(422.3836, 20210.22)(423.3871, 6006.0)(424.3835, 1194.82)(427.3395, 2415.75) 1 404.3498 404.3498@0.9387131 + 506.2886@0.9397126 0.9397126 (507.2958, 20127.17)(508.2993, 5908.28)(509.3, 1817.48)(529.2778, 3189.37)(530.2806, 1073.33) 1 506.2886 506.2886@0.9397126 + 501.3336@0.9356647 0.9356647 (502.34128, 10152.3)(503.3439, 9657.96)(504.3436, 3191.13)(505.342, 813.21) 4 501.3336 501.3336@0.9356647 + 492.2727@0.94508135 0.94508135 (493.2808, 11925.16)(494.2829, 5490.34)(495.2822, 1478.47)(515.2611, 2800.78) 2 492.2727 492.2727@0.94508135 + 390.3341@0.9467095 0.9467095 (391.3414, 5798.91)(392.3438, 1723.9)(408.3678, 20458.56)(409.3709, 6074.95)(413.3237, 3480.9)(414.3227, 1822.37)(415.3246, 629.66) 1 390.3341 390.3341@0.9467095 + 487.3171@0.9484546 0.9484546 (488.325, 6693.8325)(489.3296, 3786.0867)(490.327, 2962.85)(510.3043, 791.26) 8 487.3171 487.3171@0.9484546 + 376.3186@0.9497081 0.9497081 (377.3256, 4664.0)(378.3288, 1723.8)(399.3084, 3169.99)(400.311, 1695.11) 1 376.3186 376.3186@0.9497081 + 478.2574@0.9497081 0.9497081 (479.2647, 17686.33)(480.2687, 3901.21)(481.2645, 1468.22)(501.2465, 1565.72) 1 478.2574 478.2574@0.9497081 + 155.9469@0.9507076 0.9507076 (156.9542, 5360.38) 1 155.9469 155.9469@0.9507076 + 473.3015@1.0057187 1.0057187 (474.31204, 18847.434)(475.32086, 4838.725)(476.31592, 2136.42) 2 473.3015 473.3015@1.0057187 + 393.3436@0.9967061 0.9967061 (394.34753, 9934.08)(395.35175, 3352.8977)(396.34787, 1848.25) 4 393.3436 393.3436@0.9967061 + 362.3027@0.956705 0.956705 (363.3097, 6337.71)(364.3137, 2159.36)(380.3365, 26980.14)(381.3394, 6550.64)(382.3414, 1443.31)(385.2922, 4575.78)(386.2947, 1381.64) 1 362.3027 362.3027@0.956705 + 372.1949@0.9637018 0.9637018 (373.2021, 3463.78)(374.2086, 1024.44)(395.1843, 2055.6) 1 372.1949 372.1949@0.9637018 + 517.1828@0.9677617 0.9677617 (518.1904, 1641.9551) 2 517.1828 517.1828@0.9677617 + 348.1739@0.97625864 0.97625864 (697.3535, 2618.12)(698.35864, 1188.1749)(349.18146, 2406.945)(350.18176, 1164.2051)(351.181, 957.97)(371.1627, 2961.0)(372.1676, 831.95) 2 348.1739 348.1739@0.97625864 + 503.1672@0.97885484 0.97885484 (504.17407, 1719.3267)(505.17706, 946.4) 6 503.1672 503.1672@0.97885484 + 470.3585@1.0871127 1.0871127 (471.3615, 4672.37)(472.3688, 2728.45)(493.3499, 4212.5)(494.357, 2842.47)(495.3355, 2004.08) 5 470.3585 470.3585@1.0871127 + 545.3605@0.9946875 0.9946875 (546.3677, 23379.32)(547.3718, 7761.85)(548.3718, 2698.29)(549.3708, 720.73) 1 545.3605 545.3605@0.9946875 + 465.4023@0.9966866 0.9966866 (466.4095, 28398.97)(467.4132, 7510.58)(468.4143, 1603.66) 1 465.4023 465.4023@0.9966866 + 1015.7498@1.0001254 1.0001254 (1016.7501, 6123.685)(1017.7566, 850.92)(1018.7566, 1273.81)(998.7404, 6598.79)(999.7453, 4549.13)(1000.7554, 7618.6) 2 1015.7498 1015.7498@1.0001254 + 456.3418@1.040126 1.040126 (457.34418, 4943.705)(458.3485, 1525.32)(459.3508, 1489.41) 2 456.3418 456.3418@1.040126 + 949.7299@0.99868566 0.99868566 (950.7403, 2702.98)(951.744, 1653.27)(952.7542, 3420.23)(932.7213, 2291.05)(933.7241, 2028.49)(934.7395, 3404.36)(972.7207, 1081.3)(973.7206, 747.8)(974.7381, 1741.88) 1 949.7299 949.7299@0.99868566 + 1007.7399@0.99968517 0.99968517 (1008.7473, 1925.92)(990.7365, 1541.2)(991.7385, 1110.8)(992.7553, 2918.61)(993.7619, 1956.6)(994.7625, 1742.85) 1 1007.7399 1007.7399@0.99968517 + 953.7564@1.0331495 1.0331495 (954.7597, 1948.8301)(955.75684, 1372.27)(956.7796, 1484.3)(936.7504, 6663.85)(937.7534, 3387.26)(938.761, 3289.56)(976.7446, 1999.05)(977.7551, 1770.11)(978.7659, 2636.55)(979.7669, 1120.12)(980.7589, 1055.76) 2 953.7564 953.7564@1.0331495 + 925.734@0.99968517 0.99968517 (926.7418, 3259.5)(927.7454, 2972.24)(928.7583, 4488.45)(929.7611, 2689.35)(930.7723, 3339.21)(948.7224, 1169.1) 1 925.734 925.734@0.99968517 + 955.7292@0.99968517 0.99968517 (956.7365, 1202.14)(957.7221, 1028.69)(958.7395, 2999.99)(959.7392, 1602.79)(960.7504, 3109.76) 1 955.7292 955.7292@0.99968517 + 981.7296@0.99968517 0.99968517 (982.7368, 1378.78)(983.738, 974.82)(984.7503, 1869.84) 1 981.7296 981.7296@0.99968517 + 961.7551@1.0116173 1.0116173 (962.76636, 4284.47)(963.765, 1840.35)(964.7627, 2389.46)(965.7787, 1220.26) 2 961.7551 961.7551@1.0116173 + 451.3868@1.0006847 1.0006847 (452.394, 17911.53)(453.3974, 5181.07) 1 451.3868 451.3868@1.0006847 + 531.3438@1.0714883 1.0714883 (532.34985, 9620.367)(533.35254, 3635.0)(534.3549, 1404.39)(514.335, 3492.34) 3 531.3438 531.3438@1.0714883 + 1131.2898@1.0119102 1.0119102 (1132.2941, 2787.676)(1133.2926, 2088.5247)(1134.2906, 1765.6829)(1135.2983, 933.5267)(1136.2866, 1081.76)(1149.324, 32394.316)(1150.3232, 19398.74)(1151.322, 10057.205)(1152.3208, 6097.9004)(1153.3198, 2552.925)(1154.3168, 970.94) 15 1131.2898 1131.2898@1.0119102 + 930.7686@1.0026838 1.0026838 (931.7756, 2656.29)(932.7793, 1615.17)(933.7747, 1381.84)(953.7581, 2437.4) 1 930.7686 930.7686@1.0026838 + 1036.2622@1.0026838 1.0026838 (1037.2695, 947.92)(1038.2698, 946.87)(1039.2915, 1332.85) 1 1036.2622 1036.2622@1.0026838 + 1224.3333@1.0046886 1.0046886 (1225.3408, 6586.2124)(1226.3403, 3118.8564)(1227.3396, 1884.1274)(1228.3326, 886.94) 6 1224.3333 1224.3333@1.0046886 + 994.7799@1.0136161 1.0136161 (995.77856, 9705.88)(996.77783, 6627.02)(997.8006, 5583.65) 2 994.7799 994.7799@1.0136161 + 1057.2714@1.0036191 1.0036191 (1058.2758, 5676.835)(1059.2744, 3823.7224)(1060.2726, 2836.7026)(1075.3057, 43911.02)(1076.3046, 25945.838)(1077.3042, 12119.511)(1078.303, 5561.11)(1079.3035, 2685.42) 4 1057.2714 1057.2714@1.0036191 + 915.7311@1.0090436 1.0090436 (916.7338, 11847.733)(917.737, 7481.9263)(918.7479, 3419.7651)(919.7467, 2318.79)(920.754, 3801.05) 3 915.7311 915.7311@1.0090436 + 1003.2763@1.0049995 1.0049995 (1004.2828, 5714.8164)(1005.28174, 2075.4001)(1006.2814, 937.61) 3 1003.2763 1003.2763@1.0049995 + 1041.2565@1.0038918 1.0038918 (1042.2742, 1915.69)(1043.279, 1706.7849)(1044.2567, 1996.76) 2 1041.2565 1041.2565@1.0038918 + 899.7193@1.0026838 1.0026838 (900.7266, 2913.91)(901.7306, 1759.78)(902.7421, 7131.45)(903.7467, 4966.29)(904.7585, 9472.23) 1 899.7193 899.7193@1.0026838 + 944.7656@1.0176271 1.0176271 (945.76984, 21847.523)(946.7754, 1468.0149)(947.7744, 1108.48) 3 944.7656 944.7656@1.0176271 + 962.2451@1.0053892 1.0053892 (963.25104, 1716.5834)(964.2522, 1748.1599)(965.2685, 1611.045) 3 962.2451 962.2451@1.0053892 + 891.7308@1.0189805 1.0189805 (892.73645, 1971.512)(893.7378, 1308.0199)(894.7407, 1879.6)(874.7105, 1596.29)(875.7154, 1255.03)(876.728, 3414.58)(877.7316, 2175.01)(878.7416, 3117.22)(914.7238, 925.16)(915.7275, 774.04)(916.7371, 2072.69)(917.7403, 1210.47) 5 891.7308 891.7308@1.0189805 + 909.737@1.00912 1.00912 (910.74133, 3770.785)(911.7413, 2491.95)(912.7556, 3488.605)(913.7556, 3120.55) 2 909.737 909.737@1.00912 + 1060.2605@1.0056825 1.0056825 (1061.2678, 2343.28)(1062.269, 1366.12) 1 1060.2605 1060.2605@1.0056825 + 904.7548@1.0056825 1.0056825 (905.7621, 6116.61)(906.7708, 4802.39) 1 904.7548 904.7548@1.0056825 + 437.3709@1.0066819 1.0066819 (438.3781, 8001.59)(439.3808, 2413.61)(440.3765, 976.89) 1 437.3709 437.3709@1.0066819 + 967.251@1.0116787 1.0116787 (968.2491, 1975.8243)(969.2487, 1644.2098)(970.24023, 1618.9392)(971.2358, 757.4) 16 967.251 967.251@1.0116787 + 517.3283@1.0086809 1.0086809 (518.3355, 5471.54)(519.3404, 1494.23)(520.3358, 983.74) 1 517.3283 517.3283@1.0086809 + 885.7387@1.0086809 1.0086809 (886.7459, 2377.0)(887.7467, 1493.78) 1 885.7387 885.7387@1.0086809 + 893.2164@1.0094563 1.0094563 (894.2212, 3194.7473)(895.221, 2577.1785)(896.21387, 2373.3105)(897.21594, 1588.0901) 14 893.2164 893.2164@1.0094563 + 814.2064@1.0115706 1.0115706 (815.21387, 1935.4984)(816.21454, 1703.6517)(817.2163, 1480.285) 6 814.2064 814.2064@1.0115706 + 896.2148@1.0092028 1.0092028 (897.21576, 1659.7134)(898.21265, 1115.8934) 3 896.2148 896.2148@1.0092028 + 724.2214@1.0139351 1.0139351 (725.22894, 2429.3086)(726.2298, 1807.5627)(727.22815, 1514.5825) 8 724.2214 724.2214@1.0139351 + 817.2117@1.0144005 1.0144005 (818.2182, 3383.2014)(819.22485, 2799.8896)(820.2093, 4197.7905)(821.2039, 3025.7778)(822.2033, 2832.7627) 26 817.2117 817.2117@1.0144005 + 822.1958@1.0125339 1.0125339 (823.2002, 2078.115)(824.19446, 1113.83)(840.23, 2845.6) 2 822.1958 822.1958@1.0125339 + 859.7258@1.0171149 1.0171149 (860.73096, 1528.1799)(861.733, 906.05)(862.7478, 1939.11)(863.7508, 928.1) 2 859.7258 859.7258@1.0171149 + 676.5453@1.0166154 1.0166154 (677.55194, 2672.5552)(678.5537, 2532.18)(679.566, 6261.57) 2 676.5453 676.5453@1.0166154 + 769.6369@1.0136787 1.0136787 (770.6442, 1205.73) 1 769.6369 769.6369@1.0136787 + 1293.394@1.0362271 1.0362271 (1294.3986, 29245.295)(1295.3691, 8277.681)(1296.3761, 14908.776)(1297.3612, 12885.65)(1298.3633, 9354.42)(1299.3604, 5159.52)(1300.3627, 2698.93) 28 1293.394 1293.394@1.0362271 + 795.6164@1.0136787 1.0136787 (796.6237, 1289.32) 1 795.6164 795.6164@1.0136787 + 719.5751@1.0176148 1.0176148 (720.58075, 4197.27)(721.58777, 2499.54)(742.559, 826.83) 2 719.5751 719.5751@1.0176148 + 781.2147@1.0150968 1.0150968 (782.22675, 1650.6432)(799.2478, 6386.812)(800.24927, 5422.9873)(801.2471, 4622.13)(802.2481, 2659.76) 6 781.2147 781.2147@1.0150968 + 563.4222@1.0287167 1.0287167 (564.4273, 111362.54)(565.4292, 46854.082)(566.4309, 21450.453)(567.4331, 8793.203) 12 563.4222 563.4222@1.0287167 + C25:4 Highly branched isoprenoid B 1.0928196 C25:4 Highly branched isoprenoid B [ C25 H44, mfg=44.60, db=66.61, overall=55.61, METLIN ID=53729 ] (367.33456, 11512.251)(368.337, 4508.6157) 24 366.328 C25:4 Highly branched isoprenoid B + 740.1873@1.0167451 1.0167451 (741.19446, 1851.2222)(742.19617, 1543.9885)(743.19464, 1182.5199) 9 740.1873 740.1873@1.0167451 + 911.2431@1.0183613 1.0183613 (912.2519, 8301.321)(913.2484, 3221.238)(914.24384, 1476.993) 13 911.2431 911.2431@1.0183613 + 679.5838@1.0193329 1.0193329 (680.58545, 2423.345)(681.58856, 1750.3174)(682.58417, 2039.69)(662.5705, 3771.65)(663.5728, 2769.75)(664.5805, 2000.7) 4 679.5838 679.5838@1.0193329 + 892.2363@1.028245 1.028245 (893.24976, 2159.4368)(894.241, 2971.59) 3 892.2363 892.2363@1.028245 + 625.2083@1.019151 1.019151 (626.2154, 8699.975)(627.2162, 5439.761)(628.1949, 74561.086) 24 625.2083 625.2083@1.019151 + 749.1691@1.0196759 1.0196759 (750.1764, 1047.96) 1 749.1691 749.1691@1.0196759 + 423.355@1.0564332 1.0564332 (424.36246, 16089.765)(425.3663, 6973.3096)(426.3569, 4107.44) 2 423.355 423.355@1.0564332 + 623.2002@1.0243299 1.0243299 (624.2009, 1711.05)(625.2026, 1449.5533) 4 623.2002 623.2002@1.0243299 + C48 H66 N O4 1.0252054 [ C48 H66 N O4, mfg=79.87, overall=39.94 ] (721.5056, 3530.0532)(722.5106, 2297.6255)(723.51404, 1076.7084)(743.4774, 993.01) 22 720.4988 C48 H66 N O4 + 428.0807@1.0282804 1.0282804 (429.08798, 2666.6223)(430.08926, 1274.4758)(431.08542, 1069.0071) 21 428.0807 428.0807@1.0282804 + 503.3129@1.0246735 1.0246735 (504.3202, 5919.37)(505.3239, 1450.27) 1 503.3129 503.3129@1.0246735 + 597.5322@1.0307115 1.0307115 (598.5391, 3185.0786)(599.5414, 1526.4337)(600.5201, 3960.3916)(601.52014, 2437.2402)(620.5222, 1203.8) 14 597.5322 597.5322@1.0307115 + 585.5305@1.0270483 1.0270483 (586.5361, 2209.3)(587.53815, 1401.5449)(588.5371, 3285.04)(608.52075, 3978.6367)(609.51, 2327.58) 4 585.5305 585.5305@1.0270483 + 721.5972@1.0236118 1.0236118 (722.60144, 5777.825)(723.6085, 3125.6602)(724.6068, 2613.475) 2 721.5972 721.5972@1.0236118 + 678.5577@1.0243806 1.0243806 (679.56793, 1686.9899)(696.592, 4881.553)(697.59564, 2628.5632)(698.604, 3924.9)(699.607, 1192.88)(700.6089, 489.05) 3 678.5577 678.5577@1.0243806 + 599.5456@1.0286716 1.0286716 (600.5529, 3710.31)(601.5567, 1502.61) 1 599.5456 599.5456@1.0286716 + 657.5362@1.0290717 1.0290717 (658.5495, 7313.8403)(659.55005, 3393.2336)(660.55536, 3118.4924)(661.558, 1842.4401)(662.5753, 3285.51)(640.5485, 3213.86)(641.5515, 1956.19)(642.5637, 4500.08) 11 657.5362 657.5362@1.0290717 + 524.1389@1.027306 1.027306 (525.14636, 1935.3486)(526.14557, 1120.1134) 7 524.1389 524.1389@1.027306 + C41 H78 Cl O2 1.0351672 [ C41 H78 Cl O2, mfg=61.50, overall=61.50 ] (638.56946, 6924.4956)(639.5729, 2792.1963)(640.56006, 3709.6262)(641.5581, 2285.995)(642.5646, 5039.245)(660.55444, 2714.6802)(661.5553, 1361.8601)(662.5702, 1647.62) 16 637.5628 C41 H78 Cl O2 + 545.5022@1.0314505 1.0314505 (546.5076, 2430.6133)(547.51184, 1481.3232) 3 545.5022 545.5022@1.0314505 + 517.4693@1.0326697 1.0326697 (518.4766, 2254.04)(519.4711, 1292.26) 1 517.4693 517.4693@1.0326697 + 651.5422@1.0308294 1.0308294 (652.5516, 2676.5066)(653.5591, 1457.78)(634.5423, 6340.815)(635.5361, 3730.66)(636.5553, 9771.66)(674.53174, 1444.08) 6 651.5422 651.5422@1.0308294 + 1287.4001@1.0381563 1.0381563 (1288.4071, 31782.408)(1289.403, 1867.24)(1290.405, 28851.8)(1291.4012, 2511.43)(1292.4034, 28651.71)(1293.3971, 2468.12)(1294.4008, 20189.28) 26 1287.4001 1287.4001@1.0381563 + 1289.3982@1.0380609 1.0380609 (1290.4053, 42231.65)(1291.4034, 1926.34)(1292.4028, 17763.5)(1293.3995, 1513.47)(1294.3859, 14122.54) 28 1289.3982 1289.3982@1.0380609 + C29 H63 N10 O2 1.0328575 [ C29 H63 N10 O2, mfg=46.97, overall=46.97 ] (584.5224, 2303.523)(585.5267, 1233.2722)(586.5366, 2156.1467)(587.5401, 1415.02)(606.5034, 1850.33) 14 583.5152 C29 H63 N10 O2 + 578.5271@1.0287108 1.0287108 (579.53217, 2360.4875)(580.53766, 1683.6401)(581.5445, 867.83) 4 578.5271 578.5271@1.0287108 + 1291.3958@1.0383133 1.0383133 (1292.403, 41460.63)(1293.3965, 1719.89)(1294.4006, 14428.74) 28 1291.3958 1291.3958@1.0383133 + 557.4819@1.0356683 1.0356683 (558.4892, 2852.26) 1 557.4819 557.4819@1.0356683 + 617.5587@1.0360355 1.0360355 (618.5657, 3056.4944)(619.5654, 1976.1222)(640.546, 3183.835)(641.56006, 1595.2849) 12 617.5587 617.5587@1.0360355 + 643.5689@1.0356563 1.0356563 (644.57715, 2889.6802)(645.5945, 916.89) 2 643.5689 643.5689@1.0356563 + 418.3077@1.0339626 1.0339626 (419.31516, 25156.436) 2 418.3077 418.3077@1.0339626 + 752.2774@1.036253 1.036253 (753.2834, 1764.0789)(754.2818, 1033.4375) 8 752.2774 752.2774@1.036253 + 662.5662@1.0260518 1.0260518 (663.5717, 4562.482)(664.58, 2572.6587)(665.5856, 1442.6771)(645.5591, 3694.42)(646.5695, 2137.63)(647.5691, 3558.24)(680.5948, 4766.975)(681.59235, 3334.5134)(682.5973, 1375.03) 16 662.5662 662.5662@1.0260518 + 589.5416@1.0809193 1.0809193 (590.54315, 2098.7256)(591.54895, 865.355)(607.56805, 1859.2466) 9 589.5416 589.5416@1.0809193 + 247.0518@1.0376405 1.0376405 (248.0592, 2273.054)(249.0615, 739.08) 8 247.0518 247.0518@1.0376405 + 697.5988@1.0476229 1.0476229 (698.60474, 4263.487)(699.60754, 2636.4578)(700.6032, 1401.8) 6 697.5988 697.5988@1.0476229 + 673.6171@1.0446639 1.0446639 (674.6244, 2515.83)(675.6269, 1420.5) 1 673.6171 673.6171@1.0446639 + 887.7564@1.0554392 1.0554392 (888.76306, 2473.67)(889.76514, 1783.8501)(890.7788, 2627.54)(891.7797, 1940.12)(892.794, 4759.04) 2 887.7564 887.7564@1.0554392 + 667.5361@1.0517989 1.0517989 (668.5435, 4364.0493)(669.54675, 2175.8787)(670.55707, 4418.351)(671.5669, 2595.942)(672.56976, 2207.8333)(690.5303, 1360.9299)(691.5256, 927.73)(692.5424, 1402.62) 16 667.5361 667.5361@1.0517989 + 112.1251@1.0459801 1.0459801 (113.13232, 2542.3289) 9 112.1251 112.1251@1.0459801 + 555.4167@1.0571725 1.0571725 (556.4277, 4679.263)(557.42346, 2786.905)(573.4534, 2668.34)(578.4025, 2052.285) 3 555.4167 555.4167@1.0571725 + 519.4432@1.0476625 1.0476625 (520.4505, 3108.3)(521.4566, 1719.27) 1 519.4432 519.4432@1.0476625 + 419.3236@1.0522012 1.0522012 (420.33087, 15386.499)(421.3317, 7063.579)(422.3397, 2508.915) 11 419.3236 419.3236@1.0522012 + 676.5996@1.0486621 1.0486621 (677.6069, 2350.01)(678.6203, 1167.73) 1 676.5996 676.5996@1.0486621 + 1607.7703@1.0487374 1.0487374 (1608.7767, 17030.488)(1609.7804, 29897.486)(1610.7834, 10061.771)(1611.767, 5390.2324)(1612.7603, 5020.92)(1613.7555, 1816.84) 8 1607.7703 1607.7703@1.0487374 + 971.4738@1.0467886 1.0467886 (972.4812, 96229.95)(973.4844, 64071.625)(974.48773, 9387.071) 22 971.4738 971.4738@1.0467886 + 465.123@1.0477227 1.0477227 (466.12976, 3473.6165)(467.12766, 1419.2802)(448.1168, 1644.0083)(449.112, 724.26)(483.15735, 1335.25)(484.1538, 860.66) 12 465.123 465.123@1.0477227 + 818.2503@1.0518066 1.0518066 (819.2587, 2249.8955)(820.25977, 1384.6943)(821.2625, 787.43) 9 818.2503 818.2503@1.0518066 + 971.9754@1.0477858 1.0477858 (972.9829, 120405.48)(973.9857, 30314.375)(974.96875, 6924.611)(975.96326, 2212.31) 19 971.9754 971.9754@1.0477858 + 148.0372@1.0497115 1.0497115 (297.08212, 28894.375)(298.0832, 8050.42)(299.08032, 5266.5825)(300.08093, 912.55194)(149.04434, 14019.408) 8 148.0372 148.0372@1.0497115 + 166.0483@1.0496981 1.0496981 (167.05534, 7979.566)(168.06131, 1190.69)(169.0573, 1131.905) 7 166.0483 166.0483@1.0496981 + C31 H40 N4 O S3 1.05016 [ C31 H40 N4 O S3, mfg=80.94, overall=80.94 ] (581.2421, 3003.5398)(582.2449, 1127.0723)(583.2519, 775.7125)(598.27026, 2210.9512)(599.27515, 1171.4) 22 580.2356 C31 H40 N4 O S3 + 447.382@1.058585 1.058585 (448.39017, 2662.6125)(449.3928, 1338.3018)(450.3746, 3958.07) 12 447.382 447.382@1.058585 + 1290.1235@1.05094 1.05094 (1291.1307, 87880.17)(1292.1339, 37516.914)(1293.1249, 8799.362)(1294.1135, 4811.3447)(1295.1134, 2082.15)(1296.0865, 845.1) 19 1290.1235 1290.1235@1.05094 + 974.4542@1.049931 1.049931 (975.46155, 9870.223)(976.46405, 2628.8892)(977.44226, 2396.635) 11 974.4542 974.4542@1.049931 + 885.746@1.0516607 1.0516607 (886.7533, 1158.76)(887.7488, 817.13) 1 885.746 885.746@1.0516607 + 681.6027@1.0549989 1.0549989 (682.60944, 3458.218)(683.609, 1865.0798)(684.6107, 1923.1001)(685.6143, 932.71)(704.5967, 1727.44)(705.6016, 906.91) 6 681.6027 681.6027@1.0549989 + C30 H44 N4 1.0651094 [ C30 H44 N4, mfg=63.18, overall=63.18 ] (461.36307, 10259.056)(462.3658, 5081.0225)(443.3523, 4292.353)(483.3419, 7578.18) 11 460.3553 C30 H44 N4 + 711.633@1.0559326 1.0559326 (712.6422, 2721.861)(713.6434, 1473.0377)(714.63403, 21482.266) 10 711.633 711.633@1.0559326 + 648.6017@1.0536597 1.0536597 (649.6092, 5795.27)(650.6041, 3720.71)(666.6351, 3793.23) 1 648.6017 648.6017@1.0536597 + 673.5812@1.0557487 1.0557487 (674.59143, 2248.75)(675.5992, 1309.2733)(676.60535, 1950.3867) 4 673.5812 673.5812@1.0557487 + 701.616@1.0741286 1.0741286 (702.62976, 1705.815)(703.6238, 1150.57)(704.6427, 1157.16)(719.6472, 1007.3)(720.6608, 519.0) 2 701.616 701.616@1.0741286 + 861.7404@1.054659 1.054659 (862.7477, 1672.95)(863.7474, 860.28)(864.7628, 2045.78) 1 861.7404 861.7404@1.054659 + 505.4344@1.0594406 1.0594406 (506.43805, 3255.605)(507.43793, 2086.84)(528.4238, 5495.395)(529.4243, 1859.0) 2 505.4344 505.4344@1.0594406 + 569.4381@1.0577765 1.0577765 (570.4608, 5831.646)(571.4668, 2883.175)(572.46313, 3622.28) 5 569.4381 569.4381@1.0577765 + 905.7661@1.043277 1.043277 (906.77325, 10305.007)(907.7764, 2098.42) 3 905.7661 905.7661@1.043277 + 723.5538@1.0566581 1.0566581 (724.5611, 2529.35)(725.5797, 1178.21) 1 723.5538 723.5538@1.0566581 + 284.2348@1.0752865 1.0752865 (569.4751, 2268.44)(586.5037, 5308.2)(587.506, 2210.41)(588.5067, 3341.08)(285.24106, 3944.5125)(286.2387, 5760.65)(287.2305, 4817.7)(302.269, 1830.46) 4 284.2348 284.2348@1.0752865 + 970.7801@1.0480977 1.0480977 (971.78613, 13502.215)(972.7964, 15332.92)(973.8025, 6727.33) 2 970.7801 970.7801@1.0480977 + 650.617@1.0586572 1.0586572 (651.6264, 4207.79)(652.6283, 2342.53)(653.632, 1147.73)(668.6477, 2173.42)(669.6562, 1183.07)(670.6467, 950.19) 1 650.617 650.617@1.0586572 + 356.2199@1.0610472 1.0610472 (730.4737, 742.33)(357.22873, 3787.086)(358.23245, 1726.6901)(374.25378, 4979.6494)(375.2462, 1575.69) 5 356.2199 356.2199@1.0610472 + C24 H49 N S2 + 1.0625335 1.0625335 [ C24 H49 N S2, mfg=47.59, overall=47.59 ] (831.6695, 571.48)(416.33636, 6529.466)(417.3378, 4030.3274)(433.36435, 2641.72)(438.3205, 2246.7898) 20 415.3295 C24 H49 N S2 + 1.0625335 + 358.3073@1.060006 1.060006 (359.31424, 4057.0417)(360.32104, 1987.15)(341.30426, 3401.575)(342.3035, 1010.78) 6 358.3073 358.3073@1.060006 + 619.5334@1.0412166 1.0412166 (620.53564, 2786.08)(621.5413, 2780.77) 2 619.5334 619.5334@1.0412166 + 465.4906@1.0606562 1.0606562 (466.4979, 1277.64)(467.5005, 740.6) 1 465.4906 465.4906@1.0606562 + 204.0795@1.0596842 1.0596842 (205.08652, 6777.0366)(206.0897, 1377.0369) 13 204.0795 204.0795@1.0596842 + 913.7636@1.0501375 1.0501375 (914.7735, 2236.6433)(915.77374, 1591.0767)(916.78723, 1740.165)(917.7897, 1281.63) 3 913.7636 913.7636@1.0501375 + 751.5798@1.0601642 1.0601642 (752.5772, 3652.188)(753.57135, 2600.484)(754.5686, 3235.1401)(755.5771, 2072.99)(756.5985, 1425.36) 5 751.5798 751.5798@1.0601642 + 657.523@1.0640783 1.0640783 (658.52716, 7474.0635)(659.5301, 3507.3496)(660.51807, 2600.6365)(680.5034, 4592.8203)(681.5017, 2598.96) 14 657.523 657.523@1.0640783 + 455.3935@1.0673673 1.0673673 (911.7901, 1040.47)(912.7689, 951.7)(933.7749, 2429.75)(934.778, 937.04)(456.40305, 1385.105)(457.4152, 717.78503) 2 455.3935 455.3935@1.0673673 + 523.4435@1.0616558 1.0616558 (524.4507, 13026.99)(525.4537, 5615.54) 1 523.4435 523.4435@1.0616558 + 404.2559@1.0649345 1.0649345 (405.26028, 3617.206)(406.26404, 1963.1423)(422.29028, 3919.3098)(423.30017, 2599.435)(424.2974, 2623.58)(427.24243, 2090.81) 8 404.2559 404.2559@1.0649345 + 796.6084@1.0626552 1.0626552 (797.6157, 1390.7) 1 796.6084 796.6084@1.0626552 + 310.1575@1.0625976 1.0625976 (311.165, 14428.827)(312.17004, 3962.907) 3 310.1575 310.1575@1.0625976 + 869.7461@1.0689224 1.0689224 (870.75244, 6828.183)(871.7557, 4265.6357)(872.76917, 14796.245)(873.77264, 9259.636)(874.78125, 5273.36)(887.7833, 638.18)(892.73663, 823.0734) 21 869.7461 869.7461@1.0689224 + 739.6683@1.0637765 1.0637765 (740.6732, 2332.1436)(741.6765, 1224.4744)(742.6821, 677.45996) 9 739.6683 739.6683@1.0637765 + 709.5486@1.070221 1.070221 (710.5566, 2797.28)(711.5642, 1828.24)(712.5682, 4049.79)(732.5327, 1774.1) 2 709.5486 709.5486@1.070221 + 585.4383@1.0636548 1.0636548 (586.4456, 3872.71)(587.4661, 2141.32) 1 585.4383 585.4383@1.0636548 + 382.2481@1.0644407 1.0644407 (383.26086, 4107.6377)(384.26865, 1934.1) 4 382.2481 382.2481@1.0644407 + 907.7789@1.0629389 1.0629389 (908.7759, 1788.17)(909.7792, 1189.02)(910.7798, 1609.99)(890.7787, 6493.46)(891.782, 4055.74)(892.7916, 4525.0)(930.7602, 1167.75) 2 907.7789 907.7789@1.0629389 + 457.3749@1.0589293 1.0589293 (915.7517, 666.875)(932.7807, 974.44)(458.3821, 6882.4717)(459.38443, 3724.1902)(460.367, 3251.36)(480.3662, 2124.95) 16 457.3749 457.3749@1.0589293 + 685.5479@1.0663127 1.0663127 (686.55396, 4311.63)(687.562, 4076.38)(668.542, 2078.44)(669.5458, 854.87)(670.5538, 1999.08)(708.5394, 2116.15)(709.5384, 1126.0) 2 685.5479 685.5479@1.0663127 + 7a-Hydroxy-3-oxo-4-cholenoic acid 1.1145232 7a-Hydroxy-3-oxo-4-cholenoic acid [ C24 H36 O4, mfg=65.57, db=48.32, overall=56.94, HMP ID=HMDB00470, METLIN ID=5457 ] (389.2688, 15785.287)(390.2801, 5815.2617)(371.2595, 14858.061)(372.2616, 5477.846)(411.2558, 2963.06) 28 388.2611 7a-Hydroxy-3-oxo-4-cholenoic acid HMDB00470 + 809.6327@1.0646544 1.0646544 (810.64, 2415.31)(811.6257, 1485.5) 1 809.6327 809.6327@1.0646544 + 919.762@1.0623561 1.0623561 (920.7685, 16811.742)(921.7715, 10577.59)(922.7833, 13073.159)(923.7879, 11700.405)(924.7941, 5376.7656)(925.799, 3333.2227)(926.80426, 1498.185)(902.7421, 3266.29)(903.7446, 1837.26)(904.7586, 5219.35)(905.7613, 3034.82)(942.7474, 1146.4434)(943.7575, 1161.97)(944.7674, 2755.14)(945.7737, 2054.42) 22 919.762 919.762@1.0623561 + 671.5139@1.0802498 1.0802498 (672.53375, 3417.6785)(673.53284, 2041.9265)(674.5281, 3621.2397)(675.5178, 1317.67)(676.5327, 12558.41) 12 671.5139 671.5139@1.0802498 + 793.5963@1.0656538 1.0656538 (794.6036, 2511.8)(795.6062, 1330.78)(796.6142, 2360.63) 1 793.5963 793.5963@1.0656538 + 589.387@1.0656538 1.0656538 (590.3943, 24281.06)(591.3987, 8671.24)(592.4071, 5295.69) 1 589.387 589.387@1.0656538 + 389.3206@1.0656538 1.0656538 (390.3309, 1747.23)(407.3532, 2448.25) 1 389.3206 389.3206@1.0656538 + 735.5684@1.092728 1.092728 (736.5794, 2364.99)(737.5773, 2718.555) 4 735.5684 735.5684@1.092728 + C50 H83 O S 1.0701755 [ C50 H83 O S, mfg=66.80, overall=66.80 ] (732.6246, 2677.2563)(733.6245, 1486.6422)(734.6323, 1149.5825)(754.5985, 2060.11)(755.6008, 1486.36) 14 731.6147 C50 H83 O S + 575.3707@1.1067764 1.1067764 (576.3805, 12033.277)(577.3823, 4706.78)(578.3915, 5449.83)(593.4008, 2169.01) 4 575.3707 575.3707@1.1067764 + 506.3591@1.0848455 1.0848455 (507.3649, 3885.1033)(524.3935, 7115.9697)(525.3994, 4782.69)(529.3488, 5807.527) 9 506.3591 506.3591@1.0848455 + 579.4111@1.0614994 1.0614994 (580.4216, 5249.231)(581.4233, 2644.4622)(582.4222, 3340.425) 14 579.4111 579.4111@1.0614994 + 753.6816@1.0684179 1.0684179 (754.68896, 1836.3756)(755.692, 1155.5264)(756.6992, 785.64) 9 753.6816 753.6816@1.0684179 + 500.3693@1.0998986 1.0998986 (501.37738, 10684.64)(523.3575, 1612.1) 2 500.3693 500.3693@1.0998986 + 725.5358@1.0429169 1.0429169 (726.5481, 3032.1475)(727.5544, 2121.8726)(748.5244, 1433.9)(749.5218, 1092.31)(750.5413, 1319.9) 4 725.5358 725.5358@1.0429169 + 935.7583@1.0361505 1.0361505 (936.75574, 1808.1399)(937.7572, 1144.76)(938.7671, 1193.15)(918.7414, 1251.47)(919.7434, 1041.05) 2 935.7583 935.7583@1.0361505 + 952.7377@1.0676528 1.0676528 (953.745, 1558.46)(954.7612, 1313.26)(955.7604, 1080.71) 1 952.7377 952.7377@1.0676528 + 508.3761@1.1115838 1.1115838 (509.38086, 3027.8489)(510.3788, 1948.6)(511.36, 4966.28)(512.3608, 1308.75)(513.3779, 2595.9)(526.4106, 5674.4136)(527.408, 3280.248)(528.42206, 6168.7266)(529.4256, 3343.89)(530.4401, 8662.9)(531.3658, 2698.76) 10 508.3761 508.3761@1.1115838 + 781.5972@1.0676528 1.0676528 (782.6044, 2726.0)(783.5912, 1842.73) 1 781.5972 781.5972@1.0676528 + 588.4519@1.0716134 1.0716134 (589.45917, 7903.894)(590.46533, 5757.8784)(591.4621, 4911.882)(606.484, 4869.76)(607.4719, 4715.42)(611.4468, 1980.95) 14 588.4519 588.4519@1.0716134 + 481.3977@1.0706795 1.0706795 (482.40195, 12879.354)(483.40335, 5480.5303)(484.401, 5631.605)(485.4121, 961.84)(504.3855, 8470.06)(505.3894, 4062.41)(506.3784, 3702.02) 8 481.3977 481.3977@1.0706795 + 445.3432@1.0709722 1.0709722 (446.3521, 7824.003)(463.37732, 9964.06)(464.37527, 10518.79)(465.38425, 3686.3252)(468.3303, 2477.43)(469.3319, 2551.78) 13 445.3432 445.3432@1.0709722 + 566.3924@1.069652 1.069652 (567.3997, 2286.04) 1 566.3924 566.3924@1.069652 + TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso3] 1.0649006 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso3] [ C57 H96 O6, db=25.41, overall=25.41, HMP ID=HMDB10489, METLIN ID=61787 ] (894.7541, 3932.7393)(895.75684, 2508.6238)(896.76904, 10115.059)(897.77234, 6262.773)(898.7837, 10721.177) 16 893.7465 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso3] HMDB10489 + 831.7296@1.075971 1.075971 (832.7371, 2301.3667)(833.7409, 1530.8033)(834.7527, 5060.6504)(835.7573, 7599.68)(836.7637, 3840.72) 6 831.7296 831.7296@1.075971 + 9E-heptadecenoic acid 1.0719757 C16536 9E-heptadecenoic acid [ C17 H32 O2, mfg=53.10, db=52.50, overall=52.80, KEGG ID=C16536, METLIN ID=34953 ] (537.48254, 899.22)(559.4702, 4033.0752)(269.24686, 2803.4846)(270.24594, 982.6723)(286.2724, 1321.75)(287.2725, 859.5)(291.23163, 5619.6216)(292.2325, 1772.7214) 17 268.2393 9E-heptadecenoic acid + 561.3558@1.0703112 1.0703112 (562.3651, 10130.785)(563.37585, 4576.61) 2 561.3558 561.3558@1.0703112 + 573.4274@1.0832868 1.0832868 (574.4398, 4632.855)(575.439, 2898.1475)(576.4632, 4386.565)(591.45886, 5565.95)(592.4767, 4209.08) 10 573.4274 573.4274@1.0832868 + 789.682@1.069652 1.069652 (790.6892, 1520.03)(791.6937, 810.63)(792.7056, 6024.8)(793.7095, 3474.54)(794.7214, 5131.14) 1 789.682 789.682@1.069652 + 770.5899@1.0694332 1.0694332 (771.60333, 2959.91)(793.5808, 1587.175) 2 770.5899 770.5899@1.0694332 + 443.3588@1.0627218 1.0627218 (444.36667, 6301.1587)(466.351, 5126.2) 12 443.3588 443.3588@1.0627218 + 837.6585@1.042104 1.042104 (838.67163, 2357.24)(839.6438, 1100.38)(860.6535, 268.52)(861.6676, 711.7) 2 837.6585 837.6585@1.042104 + 777.683@1.0608368 1.0608368 (778.6914, 2797.5935)(779.6945, 1618.0366)(780.70416, 3400.1199)(781.7083, 2725.73)(782.7214, 2550.64) 3 777.683 777.683@1.0608368 + 1127.3069@1.0710276 1.0710276 (1128.3143, 57971.492)(1129.3154, 64980.906)(1130.3141, 63984.242)(1131.314, 34224.293)(1132.3126, 21131.576)(1133.3119, 11173.476)(1134.3105, 6077.311)(1135.3115, 4356.8853)(1136.3097, 2835.51) 35 1127.3069 1127.3069@1.0710276 + 807.6108@1.0716509 1.0716509 (808.6181, 2318.0)(809.6261, 1477.87) 1 807.6108 807.6108@1.0716509 + 853.5941@1.0716509 1.0716509 (854.6014, 1798.83)(855.5935, 1146.79) 1 853.5941 853.5941@1.0716509 + 578.4898@1.0751097 1.0751097 (579.4965, 3103.8772)(580.4979, 1810.6666)(581.5039, 1472.094)(561.4803, 2939.12)(601.4755, 2832.28) 7 578.4898 578.4898@1.0751097 + 734.5434@1.0933671 1.0933671 (735.54535, 1532.6199)(736.55566, 1049.06) 4 734.5434 734.5434@1.0933671 + 783.5686@1.0572656 1.0572656 (784.5809, 2923.7)(785.5833, 1819.8066)(786.5893, 7665.24)(787.5926, 4652.6)(788.5997, 3446.85) 3 783.5686 783.5686@1.0572656 + 424.2981@1.069987 1.069987 (866.6411, 824.31)(871.5894, 780.89)(425.3062, 7346.646)(426.30997, 4221.928)(427.31226, 2761.3901) 14 424.2981 424.2981@1.069987 + 759.568@1.1682398 1.1682398 (760.5744, 6877.2593)(761.57794, 3570.0608)(762.58105, 1525.9789)(742.5569, 2681.4797)(743.5592, 2533.99)(744.5741, 1837.03) 17 759.568 759.568@1.1682398 + 547.3391@1.1074456 1.1074456 (548.3474, 11568.126)(549.34937, 4370.7935) 3 547.3391 547.3391@1.1074456 + 467.3819@1.0789859 1.0789859 (468.3853, 15712.358)(469.38425, 16342.331)(470.3855, 8187.33)(471.3892, 2323.97)(450.376, 10671.61)(451.3805, 3428.57)(485.4125, 1430.49)(490.3708, 7532.91) 16 467.3819 467.3819@1.0789859 + 472.3378@1.0860409 1.0860409 (962.7026, 598.63)(473.34863, 8108.276) 5 472.3378 472.3378@1.0860409 + C33 H57 N4 O S 1.0688062 [ C33 H57 N4 O S, mfg=47.61, overall=47.61 ] (558.436, 7408.8794)(559.43744, 4127.578)(560.44543, 7850.7275)(561.4517, 2339.01)(562.4714, 1438.43)(575.4592, 4280.15)(580.4212, 3984.8374)(581.4173, 2757.225)(582.43164, 5240.325) 22 557.4254 C33 H57 N4 O S + 750.5521@1.0736499 1.0736499 (751.5575, 2326.17)(768.5873, 5165.97)(769.5842, 3007.19)(770.5944, 5799.27) 1 750.5521 750.5521@1.0736499 + 829.6021@1.0736499 1.0736499 (830.6094, 1653.47)(831.6211, 1391.88)(832.6212, 1827.74) 1 829.6021 829.6021@1.0736499 + 365.3654@1.0732293 1.0732293 (366.3725, 3636.688)(367.3734, 1723.1582)(368.3829, 968.05) 15 365.3654 365.3654@1.0732293 + 574.2778@1.0736499 1.0736499 (575.2851, 2754.63)(576.2961, 1357.49) 1 574.2778 574.2778@1.0736499 + PG(18:1(11Z)/18:1(9Z)) 1.1199673 PG(18:1(11Z)/18:1(9Z)) [ C42 H79 O10 P, db=59.73, overall=59.73, HMP ID=HMDB10619, METLIN ID=61890 ] (775.5511, 2908.7156)(776.55554, 2064.51)(777.5587, 1415.6779)(797.534, 1126.855) 9 774.5454 PG(18:1(11Z)/18:1(9Z)) HMDB10619 + 664.5682@1.0772758 1.0772758 (665.5732, 1832.58)(666.5669, 1589.09) 4 664.5682 664.5682@1.0772758 + CE(20:4) 1.0774299 CE(20:4) [ C47 H76 O2, mfg=45.85, db=71.92, overall=58.88, CAS ID=604-34-2, Lipid ID=LMST01020014, HMP ID=HMDB06726, METLIN ID=41709 ] 604-34-2 (690.6195, 12795.035)(691.62305, 6794.945)(692.6302, 3268.0535)(693.6471, 1110.28) 18 689.6122 CE(20:4) HMDB06726 + LMST01020014 C37 H75 N O2 S2 1.0719192 [ C37 H75 N O2 S2, mfg=74.21, overall=74.21 ] (630.52277, 6714.495)(631.52625, 3105.9263)(632.5303, 3889.362)(633.52747, 3996.1199)(634.5398, 20247.16)(612.5184, 12716.99)(613.5212, 5644.67)(614.5313, 3764.03) 26 629.5212 C37 H75 N O2 S2 + 799.5841@1.0754868 1.0754868 (800.58386, 1644.2649)(801.59644, 977.285)(802.5875, 2613.69) 2 799.5841 799.5841@1.0754868 + 464.3119@1.0767657 1.0767657 (951.609, 1503.69)(952.5982, 1533.83)(953.6234, 1954.87)(954.6305, 1016.25)(955.6409, 1385.25)(465.31946, 5463.3193)(447.3076, 6953.6)(482.34674, 6027.73)(483.3576, 3831.69)(487.30334, 2723.03) 8 464.3119 464.3119@1.0767657 + 349.2813@1.0716262 1.0716262 (350.2892, 2913.8389) 9 349.2813 349.2813@1.0716262 + 790.545@1.0755138 1.0755138 (791.55084, 1695.405)(792.569, 1734.1699)(793.5641, 939.25)(773.5299, 1089.46)(808.5705, 827.84) 2 790.545 790.545@1.0755138 + 681.5151@1.0716903 1.0716903 (682.5202, 2544.8477)(683.5227, 1649.9011)(684.51544, 2496.4934)(685.5193, 2384.73)(704.5038, 2142.61)(705.4986, 1440.6666)(706.511, 2366.96) 9 681.5151 681.5151@1.0716903 + C23 H30 N O2 S3 1.1004994 [ C23 H30 N O2 S3, mfg=76.11, overall=76.11 ] (449.1493, 3598.9573)(450.1557, 1087.638)(451.1586, 800.88)(466.1795, 888.04) 18 448.1414 C23 H30 N O2 S3 + 948.7931@1.073968 1.073968 (949.80237, 3964.2576)(950.808, 2451.518)(951.8118, 1701.4535) 11 948.7931 948.7931@1.073968 + 564.4073@1.0759584 1.0759584 (565.41156, 5432.575)(587.3881, 1630.18) 4 564.4073 564.4073@1.0759584 + 394.3079@1.0731046 1.0731046 (395.3154, 10090.188)(396.31866, 4002.3516)(397.31873, 3982.5967)(377.30487, 9472.41)(378.3161, 5479.65)(412.34222, 18266.457)(413.34366, 7382.72)(414.35254, 3887.875)(417.29752, 4727.065) 14 394.3079 394.3079@1.0731046 + 833.5597@1.0756489 1.0756489 (834.5669, 1096.69)(835.5795, 900.78)(836.5885, 1344.48) 1 833.5597 833.5597@1.0756489 + 428.185@1.0751239 1.0751239 (429.19196, 4451.801)(430.19443, 2622.6533)(431.1922, 871.15)(446.2263, 1968.68)(447.2356, 1320.99)(448.2238, 2381.35)(451.1713, 820.52) 13 428.185 428.185@1.0751239 + 874.7011@1.0756489 1.0756489 (875.7084, 837.03)(876.7188, 756.76)(877.7233, 2727.17)(878.7294, 1976.0)(879.7391, 1751.44) 1 874.7011 874.7011@1.0756489 + 522.354@1.0935594 1.0935594 (523.3628, 5276.5713)(524.36206, 5888.6953)(540.38727, 7075.57)(541.3885, 3481.1497)(545.345, 3984.0833) 9 522.354 522.354@1.0935594 + C22 H54 Cl N8 O4 1.0794111 [ C22 H54 Cl N8 O4, mfg=47.62, overall=47.62 ] (530.4029, 6347.867)(512.3937, 2930.24)(552.3852, 2393.07) 16 529.3961 C22 H54 Cl N8 O4 + 421.3417@1.0773023 1.0773023 (422.34467, 3993.595)(439.37552, 2090.0632)(444.331, 7519.9976)(445.33136, 4206.782) 8 421.3417 421.3417@1.0773023 + 314.1153@1.0753037 1.0753037 (315.12314, 6294.632)(316.12665, 1574.3757)(332.15, 6512.792)(333.1584, 1958.4514)(337.1052, 2564.2258) 7 314.1153 314.1153@1.0753037 + 407.3132@1.1068668 1.1068668 (408.31958, 5742.365)(409.3222, 2836.4) 2 407.3132 407.3132@1.1068668 + 434.299@1.1207182 1.1207182 (435.30664, 3812.8347)(436.2954, 3739.1)(452.33545, 5401.965)(453.3447, 5997.06)(457.28973, 2566.9722) 18 434.299 434.299@1.1207182 + 272.1768@1.0758072 1.0758072 (273.18396, 3404.8467)(274.18686, 1148.5825) 6 272.1768 272.1768@1.0758072 + 702.5526@1.0772175 1.0772175 (703.555, 3204.145)(704.5645, 3433.68)(705.5784, 1896.71) 2 702.5526 702.5526@1.0772175 + 334.2151@1.1026746 1.1026746 (669.4323, 1263.98)(335.22116, 8322.917)(336.22357, 3109.7034)(352.24884, 5990.895)(357.20523, 3752.0967) 6 334.2151 334.2151@1.1026746 + 733.6392@1.0776479 1.0776479 (734.6464, 2184.36)(735.6507, 1418.91)(736.6575, 1285.01) 1 733.6392 733.6392@1.0776479 + C20 H41 N4 1.0777404 [ C20 H41 N4, mfg=64.20, overall=64.20 ] (338.34125, 5575.736)(339.3405, 1851.6895)(340.3512, 834.31) 20 337.3339 C20 H41 N4 + 252.2444@1.0782514 1.0782514 (527.4804, 772.0)(253.25014, 1904.8345)(254.2527, 806.58)(270.27866, 6637.8647)(271.28186, 1544.4537)(275.2353, 2058.03) 9 252.2444 252.2444@1.0782514 + 1031.7236@1.0786475 1.0786475 (1032.731, 869.06) 1 1031.7236 1031.7236@1.0786475 + 474.3334@1.0783715 1.0783715 (475.3423, 4221.18)(492.3672, 3025.41) 5 474.3334 474.3334@1.0783715 + 806.5335@1.0796471 1.0796471 (807.5392, 1293.6)(824.5686, 1514.05)(825.5677, 1260.21) 1 806.5335 806.5335@1.0796471 + 598.1092@1.0804911 1.0804911 (599.1159, 2907.575)(600.1196, 1105.625) 2 598.1092 598.1092@1.0804911 + 301.2612@1.0787925 1.0787925 (302.26865, 7223.7573)(303.27264, 3008.355)(319.29346, 1416.96) 3 301.2612 301.2612@1.0787925 + C43 H80 Cl N2 1.0750098 [ C43 H80 Cl N2, mfg=76.49, overall=76.49 ] (660.6092, 3226.8713)(661.6129, 1627.1245)(662.6085, 1197.9824)(682.5947, 768.67) 24 659.6051 C43 H80 Cl N2 + 711.491@1.0729715 1.0729715 (712.49915, 2143.1382)(713.4996, 1426.654)(714.5123, 3065.92)(715.5132, 1724.2367)(716.53076, 3203.3965)(694.4846, 2054.0999)(734.4793, 2524.76)(735.4871, 2007.57) 20 711.491 711.491@1.0729715 + 518.4003@1.1039404 1.1039404 (519.4041, 7416.7886)(520.4051, 3604.8044)(521.42004, 9004.47)(522.4222, 5495.85)(523.4339, 5405.38)(541.3877, 1868.16) 7 518.4003 518.4003@1.1039404 + 264.1722@1.0935639 1.0935639 (529.35406, 3897.08)(265.17947, 4974.3867)(266.1782, 1354.7883)(287.16196, 1694.4) 6 264.1722 264.1722@1.0935639 + 429.308@1.0798103 1.0798103 (859.6282, 837.09)(430.31534, 6716.3696)(431.3168, 3870.04) 18 429.308 429.308@1.0798103 + 925.7971@1.081646 1.081646 (926.8044, 2578.76)(927.8088, 1081.23) 1 925.7971 925.7971@1.081646 + 759.6568@1.081646 1.081646 (760.6641, 1109.85)(761.6622, 666.42)(762.6784, 928.01) 1 759.6568 759.6568@1.081646 + 841.5776@1.0626 1.0626 (842.5823, 2567.3633)(843.58453, 1738.75)(844.5851, 3240.32)(845.5964, 1570.11)(846.6052, 2558.36) 3 841.5776 841.5776@1.0626 + 536.3709@1.0805403 1.0805403 (537.38745, 3761.4524)(538.37604, 2956.0898)(539.3777, 2175.85)(519.3696, 7252.04)(559.3617, 1914.49) 8 536.3709 536.3709@1.0805403 + Gö 6983 1.0808438 Gö 6983 [ C26 H26 N4 O3, mfg=71.41, db=68.32, overall=69.86, CAS ID=133053-19-7, METLIN ID=45529 ] 133053-19-7 (443.20935, 5452.916)(444.21268, 2206.82)(445.21594, 1048.63)(460.234, 8365.964)(461.24255, 2984.9995)(462.2435, 1228.735) 17 442.2013 Gö 6983 + 794.7176@1.0839261 1.0839261 (795.7254, 3162.5166)(796.73224, 1983.64)(797.7188, 1455.8867) 3 794.7176 794.7176@1.0839261 + 719.6261@1.0791328 1.0791328 (720.62726, 1659.88)(721.6349, 1178.69) 2 719.6261 719.6261@1.0791328 + 636.5298@1.0819825 1.0819825 (637.5381, 3125.5752)(638.53406, 1977.105)(639.5462, 2087.71) 2 636.5298 636.5298@1.0819825 + 819.7309@1.0819309 1.0819309 (820.73773, 4479.93)(821.7408, 2564.2485)(822.75104, 1973.96)(823.7546, 575.22)(842.7173, 956.0825)(843.7154, 1455.66)(844.738, 7392.56)(845.7411, 4100.81)(846.7536, 14460.77) 26 819.7309 819.7309@1.0819309 + 567.4498@1.0811931 1.0811931 (568.4564, 8508.197)(569.46106, 3994.5024)(570.4475, 4833.908)(571.4726, 0.0)(572.4857, 3384.77)(590.4321, 5604.56) 17 567.4498 567.4498@1.0811931 + 312.2634@1.0887122 1.0887122 (313.2705, 7244.4805)(314.27002, 3485.335)(335.2541, 2872.8599) 3 312.2634 312.2634@1.0887122 + 782.7157@1.090126 1.090126 (783.7215, 1842.895) 2 782.7157 782.7157@1.090126 + 825.734@1.0852301 1.0852301 (826.74365, 2924.5352)(827.7439, 1704.0701) 2 825.734 825.734@1.0852301 + C29 H57 N4 O S2 1.0870703 [ C29 H57 N4 O S2, mfg=47.62, overall=47.62 ] (1083.7917, 924.81)(542.4035, 10994.988)(543.4047, 5602.7207)(544.417, 8889.886)(545.4219, 3576.53)(546.4334, 5546.28)(524.3934, 2837.22)(564.3866, 5032.5) 20 541.3972 C29 H57 N4 O S2 + 480.3829@1.0835508 1.0835508 (481.3864, 2846.4272)(498.4175, 2347.64) 4 480.3829 480.3829@1.0835508 + 323.1756@1.0843128 1.0843128 (669.3365, 1333.23)(324.18265, 1956.8168)(341.20966, 7077.017)(342.2141, 2409.4102)(346.1656, 554.32) 6 323.1756 323.1756@1.0843128 + C21 H48 Cl N12 1.0801384 [ C21 H48 Cl N12, mfg=71.78, overall=71.78 ] (504.38898, 10222.169)(505.38867, 4391.112)(506.38867, 3939.3828)(521.4193, 8688.47)(522.42114, 4513.1855)(523.4287, 3992.1187)(526.37085, 3838.9353) 23 503.3857 C21 H48 Cl N12 + 593.4676@1.0864989 1.0864989 (594.4747, 4643.5776)(616.4576, 2853.01) 4 593.4676 593.4676@1.0864989 + 385.246@1.1224612 1.1224612 (386.25287, 19344.729)(387.2551, 7402.107)(403.2814, 3212.72) 7 385.246 385.246@1.1224612 + C26 H46 O4 1.0758214 [ C26 H46 O4, mfg=54.21, overall=54.21 ] (862.6888, 1072.09)(423.3449, 4672.8745)(424.3532, 2145.543)(405.3332, 4217.48)(406.3434, 1981.86)(440.3705, 2417.5525) 13 422.3383 C26 H46 O4 + 429.2199@1.0854721 1.0854721 (430.22647, 4547.7495)(431.2361, 2583.603) 12 429.2199 429.2199@1.0854721 + C11 H31 Cl N10 1.0910426 [ C11 H31 Cl N10, mfg=47.13, overall=23.57 ] (677.4922, 2291.0798)(339.2514, 5843.294)(340.2518, 4509.33)(356.2787, 5385.1587)(357.2802, 2532.1301)(361.2318, 6004.78) 20 338.2447 C11 H31 Cl N10 + 701.5119@1.1131945 1.1131945 (702.5209, 7679.8027)(703.5208, 2078.9631)(704.52124, 1413.9232) 4 701.5119 701.5119@1.1131945 + 303.1682@1.0881985 1.0881985 (304.17554, 13398.429)(305.17746, 3302.9688)(306.1861, 1069.31) 9 303.1682 303.1682@1.0881985 + 248.2137@1.0938933 1.0938933 (249.2204, 3335.5513)(250.224, 1081.6567)(271.20316, 2354.75) 8 248.2137 248.2137@1.0938933 + 485.3353@1.0912799 1.0912799 (486.34262, 9688.492)(487.34564, 4728.779)(488.3576, 12956.88)(503.3741, 3986.55) 14 485.3353 485.3353@1.0912799 + 218.1881@1.0890067 1.0890067 (219.19548, 6236.041)(220.19965, 1040.8475)(221.18864, 922.472)(236.22186, 5177.991)(237.22263, 1708.669)(241.1802, 2139.41) 21 218.1881 218.1881@1.0890067 + 797.7005@1.0890156 1.0890156 (798.7093, 4641.3076)(799.7111, 2507.0247)(800.7133, 1064.89) 19 797.7005 797.7005@1.0890156 + 670.4661@1.0728132 1.0728132 (671.47327, 2153.65)(672.4734, 1261.25)(688.5007, 14384.3125)(689.50366, 5962.81)(690.5029, 2601.29)(693.4577, 2701.8733)(694.4653, 3112.87)(695.4666, 1550.23) 4 670.4661 670.4661@1.0728132 + 318.219@1.1278352 1.1278352 (637.4434, 1279.57)(654.4673, 1436.24)(319.2261, 13635.522)(320.2292, 4439.165)(301.21518, 5233.702)(302.22263, 1904.4)(336.25046, 2740.0967)(341.20993, 5440.082)(342.2199, 2134.88) 22 318.219 318.219@1.1278352 + 668.3241@1.0882356 1.0882356 (669.333, 1611.4401)(686.3596, 1282.67) 7 668.3241 668.3241@1.0882356 + 706.4697@1.112353 1.112353 (707.4804, 6946.5083)(708.4867, 3710.0461)(709.48804, 2498.6401) 6 706.4697 706.4697@1.112353 + 633.4157@1.0946397 1.0946397 (634.423, 15706.1)(635.4345, 7114.48) 1 633.4157 633.4157@1.0946397 + 327.2407@1.0968351 1.0968351 (655.48193, 1342.8201)(328.2477, 32792.008)(329.25003, 10726.927)(330.2569, 7025.71) 8 327.2407 327.2407@1.0968351 + 386.3393@1.0923401 1.0923401 (387.34637, 8455.037)(388.34335, 5199.563)(389.34628, 2919.0166)(404.37277, 8759.009)(405.3739, 3552.8918)(406.38266, 1603.4501)(409.32825, 4871.47)(410.32742, 2726.4033) 14 386.3393 386.3393@1.0923401 + 329.141@1.1056955 1.1056955 (659.2854, 792.68)(676.31525, 1708.1666)(677.3211, 907.8)(330.14932, 2017.4667)(347.1841, 3471.6) 6 329.141 329.141@1.1056955 + 691.6449@1.0934066 1.0934066 (692.64386, 2587.2297)(693.65234, 1298.3201)(694.65955, 800.83496) 6 691.6449 691.6449@1.0934066 + 363.2608@1.110318 1.110318 (727.5365, 820.02)(364.26736, 9079.682)(365.2689, 6656.71)(366.2686, 2580.29) 11 363.2608 363.2608@1.110318 + 264.2086@1.0948155 1.0948155 (529.4186, 2142.44)(265.21503, 3151.9646)(266.2173, 1083.268)(247.2051, 850.01)(287.20013, 2395.1938)(288.2145, 1029.405) 10 264.2086 264.2086@1.0948155 + 660.3512@1.0996372 1.0996372 (661.3585, 1856.11)(662.3626, 1393.94) 1 660.3512 660.3512@1.0996372 + 924.795@1.0855584 1.0855584 (925.7997, 2267.134)(926.8069, 1447.53) 5 924.795 924.795@1.0855584 + 646.3365@1.1006366 1.1006366 (647.3438, 2034.65)(648.3482, 1054.88) 1 646.3365 646.3365@1.1006366 + 435.1744@1.100686 1.100686 (436.18277, 5764.82) 5 435.1744 435.1744@1.100686 + C32 H31 N3 O4 1.102026 [ C32 H31 N3 O4, mfg=80.41, overall=80.41 ] (522.2381, 4058.533)(523.2432, 1467.1034)(524.2468, 699.285) 29 521.2313 C32 H31 N3 O4 + 619.4033@1.0925871 1.0925871 (620.4088, 5676.983)(621.4085, 2536.14)(622.40027, 2361.13) 3 619.4033 619.4033@1.0925871 + 539.4393@1.0902401 1.0902401 (540.44525, 14237.575)(541.44855, 6760.3374)(542.4389, 2455.0) 4 539.4393 539.4393@1.0902401 + 740.6322@1.1026556 1.1026556 (741.63934, 99959.375) 26 740.6322 740.6322@1.1026556 + 635.584@1.1040881 1.1040881 (636.5912, 1622.9576)(637.59406, 1105.7888)(638.59863, 1026.9651)(618.581, 3467.547)(619.58417, 1633.7847)(658.56866, 1208.26) 13 635.584 635.584@1.1040881 + 445.3746@1.1060477 1.1060477 (446.38052, 3552.0432)(447.3851, 2485.99) 3 445.3746 445.3746@1.1060477 + 544.3958@1.1046346 1.1046346 (545.4031, 7343.16) 1 544.3958 544.3958@1.1046346 + 782.6577@1.1014671 1.1014671 (783.6645, 4552.7686)(784.67596, 2820.4421)(785.6781, 1364.3036) 12 782.6577 782.6577@1.1014671 + 525.4234@1.1046346 1.1046346 (526.4307, 21516.86)(527.4318, 8868.17)(528.4244, 4869.47) 1 525.4234 525.4234@1.1046346 + 340.2971@1.0924481 1.0924481 (681.5964, 618.325)(682.6127, 967.11)(341.30444, 55439.812)(342.30783, 13464.722)(343.30923, 3043.2559)(344.314, 681.76) 6 340.2971 340.2971@1.0924481 + 1112.8767@1.1056341 1.1056341 (1113.884, 1142.26)(1114.8895, 799.39) 1 1112.8767 1112.8767@1.1056341 + 821.7437@1.1100092 1.1100092 (822.7523, 2703.0813)(823.7569, 1459.3337)(824.7641, 740.54004) 8 821.7437 821.7437@1.1100092 + 605.3826@1.1066337 1.1066337 (606.3899, 6874.13)(607.3945, 3034.55) 1 605.3826 605.3826@1.1066337 + 632.3222@1.1066337 1.1066337 (633.3295, 1151.71) 1 632.3222 632.3222@1.1066337 + 1106.9237@1.1079489 1.1079489 (1107.9326, 1662.8301) 3 1106.9237 1106.9237@1.1079489 + 617.5739@1.1056151 1.1056151 (618.5809, 3179.0984)(619.584, 1538.7833)(620.5964, 5185.47)(621.6004, 2028.59)(622.6106, 884.3) 22 617.5739 617.5739@1.1056151 + 659.4638@1.1232313 1.1232313 (660.47076, 5809.802)(661.47174, 2868.4763)(662.4808, 1770.2233)(677.5014, 2052.45) 9 659.4638 659.4638@1.1232313 + 475.351@1.0973194 1.0973194 (476.35873, 10993.918)(477.3583, 6351.112)(478.3633, 4862.845)(493.3871, 4933.5635)(494.38705, 2598.565)(498.34167, 5728.827)(499.3373, 3526.705) 13 475.351 475.351@1.0973194 + 704.612@1.1106316 1.1106316 (705.6193, 1121.34) 1 704.612 704.612@1.1106316 + 729.5016@1.098609 1.098609 (730.50806, 2443.8975)(731.5027, 1627.39)(732.5101, 2011.5801)(752.49255, 1256.2649) 4 729.5016 729.5016@1.098609 + 716.6127@1.1137981 1.1137981 (717.6181, 5274.9067)(718.6255, 2068.9568) 3 716.6127 716.6127@1.1137981 + 591.3664@1.1149603 1.1149603 (592.37604, 5936.22)(593.3763, 2277.92)(594.3924, 1759.47) 3 591.3664 591.3664@1.1149603 + 511.4079@1.119466 1.119466 (512.4116, 10918.613)(513.4101, 4230.935)(514.4141, 2643.7534) 9 511.4079 511.4079@1.119466 + 443.2509@1.1264876 1.1264876 (444.25888, 7495.5767)(445.26108, 3338.4102)(446.2709, 2229.82)(426.2492, 10737.98)(427.2536, 3984.43) 12 443.2509 443.2509@1.1264876 + 433.3755@1.1141472 1.1141472 (434.38168, 3898.9487)(435.38412, 1623.1234)(456.36707, 2920.5552) 9 433.3755 433.3755@1.1141472 + 661.5995@1.117907 1.117907 (662.6077, 2002.2068)(663.6092, 1115.0634)(664.6211, 941.51)(644.5969, 1604.0299)(645.5987, 845.07) 15 661.5995 661.5995@1.117907 + 1206.3232@1.1107197 1.1107197 (1207.3307, 2990.1484)(1208.3297, 1657.776)(1209.3279, 852.095) 6 1206.3232 1206.3232@1.1107197 + C14 H34 Cl N5 O7 1.1173997 [ C14 H34 Cl N5 O7, mfg=47.55, overall=47.55 ] (420.2232, 8482.025)(421.23477, 4396.3184)(422.2319, 2235.9934)(402.21155, 1512.095) 16 419.2156 C14 H34 Cl N5 O7 + 607.5533@1.115644 1.115644 (608.56036, 1683.2251)(609.5665, 863.795)(590.5498, 1340.63)(591.55426, 833.96497) 6 607.5533 607.5533@1.115644 + 451.3514@1.1041911 1.1041911 (452.36346, 4997.685) 2 451.3514 451.3514@1.1041911 + 437.3352@1.160838 1.160838 (438.34415, 9797.795)(439.3541, 5568.23)(440.34412, 2678.405) 7 437.3352 437.3352@1.160838 + 1201.3256@1.1155747 1.1155747 (1202.3325, 6890.9385)(1203.3335, 8459.863)(1204.3322, 9065.357)(1205.332, 6073.531)(1206.331, 4207.962)(1207.33, 1952.9324)(1208.3287, 1053.735) 26 1201.3256 1201.3256@1.1155747 + 312.2656@1.1209419 1.1209419 (313.27264, 9216.635)(314.27094, 3510.8506)(335.2541, 5759.61) 16 312.2656 312.2656@1.1209419 + 475.4584@1.1186277 1.1186277 (476.4657, 6863.48)(477.4697, 2755.49)(478.4605, 1451.45) 1 475.4584 475.4584@1.1186277 + Ceramide (d18:1/24:0) 1.1153939 C00195 Ceramide (d18:1/24:0) [ C42 H83 N O3, mfg=45.32, db=44.45, overall=44.88, CAS ID=104404-17-3, KEGG ID=C00195, HMP ID=HMDB04956, METLIN ID=7209 ] 104404-17-3 (672.6278, 3771.9512)(673.63556, 2307.9211) 23 671.6206 Ceramide (d18:1/24:0) HMDB04956 + Cer(d18:2/16:0) 1.1204612 Cer(d18:2/16:0) [ C34 H65 N O3, db=25.77, overall=25.77, Lipid ID=LMSP02010024, METLIN ID=83723 ] (536.5026, 3247.613)(537.50946, 1645.9657)(538.5181, 3238.57)(539.5234, 1136.27)(540.5317, 933.27) 19 535.4958 Cer(d18:2/16:0) + LMSP02010024 C42 H80 Cl 1.1173463 [ C42 H80 Cl, mfg=73.46, overall=36.73 ] (620.59674, 4775.1553)(621.60046, 2011.1603)(622.60944, 1453.7418)(623.6137, 1034.58)(602.5857, 1451.9421)(603.5901, 1094.302)(604.595, 1118.36)(642.5843, 584.63) 34 619.5891 C42 H80 Cl + C24 H35 N O 1.1216551 [ C24 H35 N O, mfg=47.27, overall=47.27 ] (354.2788, 13994.988) 8 353.2654 C24 H35 N O + C40 H86 Cl N4 O2 S 1.1054015 [ C40 H86 Cl N4 O2 S, mfg=61.89, overall=61.89 ] (722.627, 2481.6406)(723.62683, 1478.2751)(724.6202, 1696.114)(704.61646, 1441.8274) 16 721.6205 C40 H86 Cl N4 O2 S + 4,4-difluoro-1?,25-dihydroxyvitamin D3 / 4,4-difluoro-1?,25-dihydroxycholecalciferol 1.113789 4,4-difluoro-1?,25-dihydroxyvitamin D3 / 4,4-difluoro-1?,25-dihydroxycholecalciferol [ C27 H42 F2 O3, db=11.49, overall=5.74, Lipid ID=LMST03020142, METLIN ID=42081 ] (470.347, 9953.865)(471.3582, 4926.984)(472.36005, 5866.6772) 26 469.3399 4,4-difluoro-1?,25-dihydroxyvitamin D3 / 4,4-difluoro-1?,25-dihydroxycholecalciferol + LMST03020142 C19 H41 N11 S 1.1080472 [ C19 H41 N11 S, mfg=47.62, overall=47.62 ] (456.33176, 6363.7925)(457.3369, 3457.5752)(458.34323, 4341.2666)(473.3605, 3168.78)(478.3093, 2925.79) 30 455.3251 C19 H41 N11 S + 466.292@1.1298485 1.1298485 (467.29953, 3327.5776)(468.30603, 1660.3)(469.3004, 2061.0)(484.3269, 4413.38)(485.32095, 3067.595)(489.2826, 1624.6068) 4 466.292 466.292@1.1298485 + 430.3355@1.12599 1.12599 (431.34436, 4767.78) 8 430.3355 430.3355@1.12599 + 676.5292@1.1019998 1.1019998 (677.5354, 3613.045)(678.5361, 2549.72) 2 676.5292 676.5292@1.1019998 + 302.2814@1.1158905 1.1158905 (303.28864, 2172.051)(304.29767, 749.07)(285.2801, 2383.75)(320.31464, 2515.924) 9 302.2814 302.2814@1.1158905 + 684.569@1.1236267 1.1236267 (685.5756, 7769.614) 15 684.569 684.569@1.1236267 + 256.05@1.1242343 1.1242343 (257.0572, 14060.16)(258.0609, 2024.7534)(274.08383, 21735.158)(275.08755, 3294.6616)(276.08923, 859.75)(279.03928, 3236.5818)(280.0468, 846.11) 16 256.05 256.05@1.1242343 + 423.319@1.1246246 1.1246246 (424.3263, 41806.75)(425.3297, 11293.97)(426.3335, 3200.27) 1 423.319 423.319@1.1246246 + 447.3219@1.1219312 1.1219312 (448.3309, 8168.7314)(449.32913, 3810.2783)(450.32394, 2731.4102)(465.35654, 5007.14)(466.36435, 2999.655) 13 447.3219 447.3219@1.1219312 + DG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 1.1243834 DG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) [ C45 H70 O5, mfg=73.20, db=73.17, overall=73.18, HMP ID=HMDB07469, METLIN ID=58974 ] (691.5284, 6238.4824)(692.5285, 3070.4495)(693.53174, 1386.1678) 30 690.5217 DG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) HMDB07469 + PGE2 1.16921 C00584 PGE2 [ C20 H32 O5, mfg=47.44, db=5.92, overall=26.68, CAS ID=363-24-6, Lipid ID=LMFA03010003, KEGG ID=C00584, METLIN ID=421 ] 363-24-6 (727.4388, 1337.68)(353.2316, 13510.382)(354.2301, 5068.449)(355.22498, 17910.299)(356.22803, 4265.5073)(370.2593, 11510.3)(371.2609, 5868.22)(375.21555, 12670.344)(376.23083, 9130.85) 19 352.2261 PGE2 + LMFA03010003 593.5758@1.1256242 1.1256242 (594.5818, 1016.22)(616.5655, 2437.08)(617.5791, 927.31) 1 593.5758 593.5758@1.1256242 + 835.7586@1.152768 1.152768 (836.7669, 1596.8099)(837.77216, 848.2767)(838.7806, 567.33) 3 835.7586 835.7586@1.152768 + 521.3965@1.1266236 1.1266236 (522.4057, 3013.07)(544.3848, 4480.2)(545.3844, 2847.32) 1 521.3965 521.3965@1.1266236 + 447.171@1.1266236 1.1266236 (448.1782, 2599.73)(449.1804, 1409.14) 1 447.171 447.171@1.1266236 + 493.4299@1.1308992 1.1308992 (494.44467, 2821.9727)(495.45328, 1404.7401) 4 493.4299 493.4299@1.1308992 + 522.3551@1.1223849 1.1223849 (523.36084, 3194.9639)(540.3888, 9104.125)(541.3901, 3694.41)(545.34296, 2678.9968) 8 522.3551 522.3551@1.1223849 + 377.3111@1.1286227 1.1286227 (755.627, 4452.0)(378.3209, 3111.11) 1 377.3111 377.3111@1.1286227 + 926.8125@1.1645138 1.1645138 (927.8181, 2098.095) 2 926.8125 926.8125@1.1645138 + 409.3035@1.1286227 1.1286227 (836.6354, 787.07)(410.3108, 58926.68)(411.3143, 15890.88)(412.3131, 4859.92) 1 409.3035 409.3035@1.1286227 + 354.2766@1.1357112 1.1357112 (709.5674, 1369.4)(355.2834, 172387.97)(356.28668, 56776.816)(357.2938, 12407.2)(377.2658, 3288.19) 5 354.2766 354.2766@1.1357112 + 519.5008@1.1275071 1.1275071 (520.5074, 2381.5793)(521.50916, 1224.7762)(537.5292, 1432.39) 11 519.5008 519.5008@1.1275071 + 517.3615@1.1219603 1.1219603 (518.36975, 9432.509)(519.3677, 3736.415)(520.3693, 3761.6934)(500.3587, 13749.58)(501.36688, 5899.4453)(535.3967, 5767.61)(540.3517, 4010.54)(541.34656, 1991.4299) 13 517.3615 517.3615@1.1219603 + 457.3761@1.1280857 1.1280857 (458.38135, 3640.76)(459.37973, 1808.35)(480.36554, 4700.655) 4 457.3761 457.3761@1.1280857 + 357.2148@1.1241752 1.1241752 (358.22025, 3614.07)(375.24927, 2774.315) 2 357.2148 357.2148@1.1241752 + 611.496@1.2011403 1.2011403 (612.50287, 6261.5503)(613.5035, 2580.4333) 3 611.496 611.496@1.2011403 + 622.3706@1.132243 1.132243 (623.38055, 4086.45)(624.38715, 2618.6067) 4 622.3706 622.3706@1.132243 + 341.2205@1.1299113 1.1299113 (342.22733, 10860.874)(343.2249, 7502.04)(324.2161, 4039.44)(364.2118, 1776.57) 3 341.2205 341.2205@1.1299113 + 603.3988@1.1329149 1.1329149 (604.40826, 11011.747)(605.41376, 4878.3633)(606.40753, 2988.5234)(626.3934, 994.89) 6 603.3988 603.3988@1.1329149 + 651.5217@1.1316539 1.1316539 (652.52844, 3964.7246)(653.5251, 2036.765)(654.5241, 1624.9332)(669.5439, 1302.6) 6 651.5217 651.5217@1.1316539 + 220.1462@1.1433613 1.1433613 (441.2967, 2140.76)(221.1534, 7130.3916)(222.1543, 1507.4342)(203.1427, 1754.26)(238.18161, 1523.9701)(243.13486, 1121.37) 20 220.1462 220.1462@1.1433613 + C10 H9 N O7 S 1.1295613 [ C10 H9 N O7 S, mfg=72.69, overall=72.69 ] (288.01694, 5356.5093)(289.02026, 1652.7424)(290.0168, 807.97)(309.99875, 1423.554) 14 287.0093 C10 H9 N O7 S + C6 H14 O4 + 1.1488354 1.1488354 [ C6 H14 O4, mfg=42.64, overall=42.64 ] (318.2135, 2135.38)(151.09708, 21976.373)(152.10455, 1634.8857)(153.09354, 4802.91)(154.0902, 3006.96) 17 150.0895 C6 H14 O4 + 1.1488354 + 608.3546@1.1337668 1.1337668 (609.36206, 7802.937)(610.36835, 4229.175)(611.367, 2125.8) 3 608.3546 608.3546@1.1337668 + 467.3097@1.1758312 1.1758312 (468.31268, 3654.335)(469.3075, 1958.9501) 2 467.3097 467.3097@1.1758312 + 797.5256@1.1373769 1.1373769 (798.53357, 4287.6416)(799.5365, 2246.3052)(800.5389, 1140.129) 28 797.5256 797.5256@1.1373769 + 677.4414@1.1346196 1.1346196 (678.4488, 13567.74)(679.4529, 7561.41)(680.4551, 2457.05)(695.4737, 1498.99) 1 677.4414 677.4414@1.1346196 + 636.3853@1.1309738 1.1309738 (637.3938, 5948.235)(638.39746, 2608.21)(639.4002, 1312.11) 2 636.3853 636.3853@1.1309738 + 485.3346@1.2019981 1.2019981 (486.33868, 3411.1)(487.34988, 2639.4167) 5 485.3346 485.3346@1.2019981 + 704.3785@1.1346196 1.1346196 (705.3858, 1467.95)(706.3919, 835.47) 1 704.3785 704.3785@1.1346196 + 2,3-dinor-11b-PGF2? 1.1282063 C14794 2,3-dinor-11b-PGF2? [ C18 H30 O5, mfg=62.84, db=61.05, overall=61.94, CAS ID=221664-05-7, Lipid ID=LMFA03010011, KEGG ID=C14794, METLIN ID=36202 ] 221664-05-7 (653.4298, 1258.1285)(670.453, 1320.36)(671.4578, 1296.47)(675.40955, 1012.214)(327.21732, 23425.592)(328.21613, 9428.224)(329.22147, 3983.33)(309.20728, 11398.763)(310.2098, 5047.265)(349.1993, 15448.969)(350.2062, 4122.7793) 23 326.2099 2,3-dinor-11b-PGF2? + LMFA03010011 589.384@1.1268324 1.1268324 (590.39, 10558.541)(591.39276, 4505.632) 5 589.384 589.384@1.1268324 + 402.2262@1.2014145 1.2014145 (403.23407, 5248.69)(404.2269, 4007.98)(420.2592, 5522.69) 2 402.2262 402.2262@1.2014145 + 682.3998@1.1366186 1.1366186 (683.407, 1367.79) 1 682.3998 682.3998@1.1366186 + 252.2088@1.1168966 1.1168966 (505.4223, 3164.7344)(506.4288, 3157.47)(507.4368, 2797.58)(527.40485, 3681.8435)(253.21587, 48000.363)(254.21864, 10373.065)(255.22328, 2665.7866)(235.20412, 1314.9333)(270.24188, 1279.566)(275.1998, 3348.05) 24 252.2088 252.2088@1.1168966 + 537.4287@1.0936294 1.0936294 (538.4365, 4372.2026)(539.43207, 2653.4734)(540.42786, 4572.995)(560.4148, 4879.93) 4 537.4287 537.4287@1.0936294 + 425.3855@1.1376181 1.1376181 (426.3928, 2183.08)(427.3968, 1050.77) 1 425.3855 425.3855@1.1376181 + 663.4241@1.1376181 1.1376181 (664.4314, 10953.36)(665.4346, 5957.87)(666.4328, 2622.51) 1 663.4241 663.4241@1.1376181 + 509.3986@1.2177409 1.2177409 (510.40067, 4643.1616)(511.39902, 2101.6367)(532.38403, 5094.5664)(533.3865, 1766.405) 7 509.3986 509.3986@1.2177409 + 519.1893@1.1376181 1.1376181 (520.1966, 841.32) 1 519.1893 519.1893@1.1376181 + 523.4118@1.174898 1.174898 (524.4252, 6407.185)(525.4247, 2799.77)(526.4306, 1547.24) 2 523.4118 523.4118@1.174898 + 392.2527@1.1352117 1.1352117 (393.25833, 9112.838)(394.2575, 9259.1) 11 392.2527 392.2527@1.1352117 + 325.141@1.1386176 1.1386176 (326.1483, 3514.13)(327.1555, 1403.8) 1 325.141 325.141@1.1386176 + 365.2813@1.1273959 1.1273959 (366.28778, 5377.94)(383.3147, 12938.74)(384.3168, 4651.38)(385.3032, 1852.72) 2 365.2813 365.2813@1.1273959 + C25 H47 Cl N8 O 1.139855 [ C25 H47 Cl N8 O, mfg=47.61, overall=47.61 ] (511.36087, 5049.2524)(512.36035, 2864.4048)(513.3624, 1787.8738)(528.3899, 1655.23)(533.347, 1846.385) 26 510.3528 C25 H47 Cl N8 O + 246.2189@1.1393162 1.1393162 (493.4394, 799.46)(247.22673, 4365.5737)(248.23117, 1160.6133)(249.22119, 2706.975)(264.25177, 3060.9158) 17 246.2189 246.2189@1.1393162 + 649.4084@1.1386176 1.1386176 (650.4157, 7151.85)(651.4133, 3840.45)(652.4209, 2511.01) 1 649.4084 649.4084@1.1386176 + C20 H37 N5 O2 1.1377977 [ C20 H37 N5 O2, mfg=74.19, overall=74.19 ] (380.29895, 11936.581)(381.30096, 4846.4697)(362.2898, 9114.92)(363.298, 2342.9)(402.28177, 6884.9263)(403.28467, 3297.7156) 27 379.2918 C20 H37 N5 O2 + C13 H23 N O2 + 1.1620494 1.1620494 [ C13 H23 N O2, mfg=84.25, overall=84.25 ] (451.3526, 1864.77)(226.18013, 113334.57)(227.18265, 19690.168)(208.16963, 8142.3994)(243.2099, 8760.03) 15 225.1729 C13 H23 N O2 + 1.1620494 + 374.3385@1.141616 1.141616 (375.3449, 3248.08)(392.3726, 9976.89)(393.3761, 3193.08) 1 374.3385 374.3385@1.141616 + 580.3229@1.1430975 1.1430975 (581.3306, 3461.8835)(582.33344, 1847.3467) 3 580.3229 580.3229@1.1430975 + 546.5115@1.1053671 1.1053671 (547.5152, 1655.4675)(548.51624, 921.9874) 4 546.5115 546.5115@1.1053671 + 569.4496@1.2413605 1.2413605 (570.4588, 6392.6953)(571.45703, 2825.5698)(572.4583, 2452.02) 6 569.4496 569.4496@1.2413605 + Avocadyne acetate 1.1433647 Avocadyne acetate [ C19 H34 O4, mfg=44.95, db=44.25, overall=44.60, CAS ID=24607-06-5, METLIN ID=43513 ] 24607-06-5 (327.25195, 9198.143)(349.23398, 3341.747) 16 326.2449 Avocadyne acetate + sec-Butylbenzene 1.1326512 C14142 sec-Butylbenzene [ C10 H14, mfg=97.94, db=97.94, overall=97.94, CAS ID=135-98-8, KEGG ID=C14142, METLIN ID=69831 ] 135-98-8 (135.11662, 409809.78)(136.1199, 46882.39)(137.13066, 6683.4053)(138.13405, 610.9892) 27 134.1093 sec-Butylbenzene + 570.2727@1.1466135 1.1466135 (571.28, 22879.65)(572.283, 8541.7)(573.2882, 2210.66) 1 570.2727 570.2727@1.1466135 + 327.2071@1.1493977 1.1493977 (328.21307, 6212.965) 2 327.2071 327.2071@1.1493977 + 555.5214@1.1480281 1.1480281 (556.52893, 1520.8401)(557.53253, 855.2) 5 555.5214 555.5214@1.1480281 + Batatasin IV 1.1490388 C10247 Batatasin IV [ C15 H16 O3, mfg=64.37, db=64.28, overall=64.33, Lipid ID=LMPK13090032, KEGG ID=C10247, METLIN ID=53259 ] (245.11768, 11212.785)(246.12463, 2575.2773)(267.09964, 1363.0012)(268.1004, 802.66) 18 244.1099 Batatasin IV + LMPK13090032 637.5025@1.1429251 1.1429251 (638.51556, 2537.43)(639.5176, 1228.885) 2 637.5025 637.5025@1.1429251 + C33 H47 N2 S 1.146602 [ C33 H47 N2 S, mfg=54.42, overall=54.42 ] (504.35306, 5115.054)(505.35358, 2748.4858)(521.3829, 1606.66)(526.3405, 1444.48) 12 503.3455 C33 H47 N2 S + 211.0121@1.1481959 1.1481959 (212.01979, 3330.1667) 3 211.0121 211.0121@1.1481959 + 635.3925@1.1462634 1.1462634 (636.3998, 3792.8562)(637.39984, 1586.7949)(638.4125, 1326.6) 5 635.3925 635.3925@1.1462634 + 285.1371@1.1526104 1.1526104 (286.1444, 58936.73)(287.1489, 13749.34) 1 285.1371 285.1371@1.1526104 + 845.4345@1.1522328 1.1522328 (846.4424, 15041.535)(847.4459, 8288.348)(848.4488, 2763.4514)(849.4516, 1169.1234) 15 845.4345 845.4345@1.1522328 + 397.357@1.1703224 1.1703224 (398.36194, 2199.8865)(399.3637, 1520.48)(415.38605, 1421.555) 6 397.357 397.357@1.1703224 + 555.3695@1.1526104 1.1526104 (556.3768, 2643.47)(557.3768, 1325.71) 1 555.3695 555.3695@1.1526104 + C32 H26 N O 1.1490424 [ C32 H26 N O, mfg=78.35, overall=78.35 ] (441.2092, 6420.503)(442.21045, 2054.198)(443.2104, 3162.715)(423.203, 986.45)(458.23538, 14655.344)(459.23923, 5271.088)(463.1905, 1048.8745) 31 440.2012 C32 H26 N O + 456.2305@1.1518247 1.1518247 (457.2382, 4626.634) 5 456.2305 456.2305@1.1518247 + 411.3804@1.1584376 1.1584376 (412.38745, 3734.2578)(413.38815, 1088.28) 5 411.3804 411.3804@1.1584376 + 510.2425@1.1546094 1.1546094 (511.2497, 1017.35)(512.2532, 641.15) 1 510.2425 510.2425@1.1546094 + 421.3371@1.1619064 1.1619064 (422.345, 3530.3674)(423.3505, 1363.5857)(424.35315, 1414.1)(439.3739, 1140.93)(444.3292, 2881.95) 8 421.3371 421.3371@1.1619064 + 9,12-octadecadienal 1.1570152 9,12-octadecadienal [ C18 H32 O, mfg=58.61, db=58.33, overall=58.47, METLIN ID=36619 ] (551.4825, 1043.7)(265.25262, 2166.527)(266.252, 979.3575)(282.27893, 10280.64)(283.27875, 3186.8328) 29 264.245 9,12-octadecadienal + Chaparrinone 1.1589627 C08757 Chaparrinone [ C20 H26 O7, mfg=61.33, db=61.14, overall=61.23, CAS ID=22611-34-3, KEGG ID=C08757, METLIN ID=67176 ] 22611-34-3 (379.1758, 7552.6064)(380.18106, 2558.8655)(401.1575, 1758.43) 13 378.1679 Chaparrinone + 579.4346@1.169126 1.169126 (580.43964, 2167.55)(581.43854, 1330.125)(582.4462, 1467.73)(602.4249, 2001.72) 4 579.4346 579.4346@1.169126 + 1591.4294@1.1243613 1.1243613 (1592.436, 1374.04)(1593.434, 827.36) 2 1591.4294 1591.4294@1.1243613 + 379.2568@1.1635419 1.1635419 (380.26468, 14151.884)(362.2539, 15671.22)(397.29233, 6611.8022)(398.2917, 2547.275) 12 379.2568 379.2568@1.1635419 + 1275.3438@1.1750982 1.1750982 (1276.351, 2554.318)(1277.3517, 3103.8792)(1278.3505, 3250.1475)(1279.351, 2219.0867)(1280.3496, 1294.8267) 11 1275.3438 1275.3438@1.1750982 + C32 H67 N O4 S2 1.1554345 [ C32 H67 N O4 S2, mfg=73.94, overall=73.94 ] (594.45874, 3645.2017)(595.46375, 1648.3635)(596.4552, 1163.73)(616.4359, 1616.85) 22 593.4513 C32 H67 N O4 S2 + C30 H63 N O4 S2 1.0844756 [ C30 H63 N O4 S2, mfg=47.58, overall=47.58 ] (566.43207, 5239.784)(567.4386, 2976.1187)(568.4221, 11128.918)(569.42664, 4325.6714)(570.43805, 5077.5103)(548.4167, 2426.08)(588.4079, 4718.1196)(589.4153, 2776.9648) 18 565.4211 C30 H63 N O4 S2 + 412.2926@1.179073 1.179073 (413.2985, 4448.672)(414.284, 1318.95) 5 412.2926 412.2926@1.179073 + 495.3784@1.1606064 1.1606064 (496.3856, 7819.63)(497.3848, 2350.45)(498.3679, 1944.6) 1 495.3784 495.3784@1.1606064 + 465.3999@1.1622005 1.1622005 (466.40485, 3747.19)(467.41266, 1140.435) 2 465.3999 465.3999@1.1622005 + 481.3614@1.1616058 1.1616058 (482.3687, 59019.12)(483.3719, 18566.13)(484.3733, 5370.4) 1 481.3614 481.3614@1.1616058 + 586.2698@1.1626054 1.1626054 (587.2771, 1477.96) 1 586.2698 586.2698@1.1626054 + 460.1162@1.1626054 1.1626054 (461.1234, 1307.65) 1 460.1162 460.1162@1.1626054 + 339.3129@1.1631311 1.1631311 (340.3204, 6178.3354)(341.31863, 4971.36) 21 339.3129 339.3129@1.1631311 + 307.2396@1.1628817 1.1628817 (308.24463, 4089.7266)(309.2427, 2256.99)(325.2746, 6965.52) 3 307.2396 307.2396@1.1628817 + 519.4857@1.2031637 1.2031637 (520.4914, 5159.0303)(521.4979, 3255.76) 2 519.4857 519.4857@1.2031637 + 317.2607@1.1610415 1.1610415 (318.26367, 2715.0737)(335.29446, 25059.4)(340.24823, 2640.0234) 14 317.2607 317.2607@1.1610415 + 427.3337@1.1446816 1.1446816 (428.33676, 2659.854)(445.3667, 6794.79)(446.3715, 3873.49) 5 427.3337 427.3337@1.1446816 + 444.2399@1.1628457 1.1628457 (445.24832, 4132.807)(446.25626, 3282.5225)(462.27472, 1863.25)(463.2633, 1169.16) 13 444.2399 444.2399@1.1628457 + 737.4973@1.1645383 1.1645383 (738.5059, 3099.694)(739.5081, 1867.1733)(740.52, 2222.5183)(760.4845, 2764.75)(761.4857, 2478.2)(762.4993, 1866.42) 7 737.4973 737.4973@1.1645383 + 370.1811@1.1710699 1.1710699 (371.18808, 6314.338)(372.1943, 3455.205) 6 370.1811 370.1811@1.1710699 + C20 H48 Cl N6 1.1767485 [ C20 H48 Cl N6, mfg=74.48, overall=74.48 ] (408.3676, 32797.203)(409.371, 9186.103)(410.37338, 17025.262)(411.37662, 4543.681)(412.3875, 2290.4973)(430.34998, 1859.1533) 30 407.3604 C20 H48 Cl N6 + 467.3457@1.1686023 1.1686023 (468.3529, 77086.47)(469.3561, 20859.48)(470.355, 4400.53) 1 467.3457 467.3457@1.1686023 + 576.4749@1.130485 1.130485 (577.4829, 7873.428)(578.48395, 3818.0085)(579.4928, 1613.86)(599.4615, 1278.27) 6 576.4749 576.4749@1.130485 + 316.2614@1.1207492 1.1207492 (633.5276, 971.05)(655.5265, 983.47)(317.26978, 2854.5688)(318.26764, 937.32404) 10 316.2614 316.2614@1.1207492 + 413.3882@1.1726002 1.1726002 (414.3954, 1591.32) 1 413.3882 413.3882@1.1726002 + 343.3077@1.1745992 1.1745992 (344.3124, 819.78)(326.3045, 15745.26)(327.307, 4085.66) 1 343.3077 343.3077@1.1745992 + 652.5068@1.1669008 1.1669008 (653.51526, 2616.8574)(654.5179, 1993.9601)(655.5251, 1515.913) 12 652.5068 652.5068@1.1669008 + 741.5936@1.1775976 1.1775976 (742.6008, 3227.46)(743.6083, 1817.98) 1 741.5936 741.5936@1.1775976 + 575.4747@1.1767484 1.1767484 (576.48065, 3268.9077)(577.48444, 1681.2056)(578.4824, 1567.23) 15 575.4747 575.4747@1.1767484 + 446.3955@1.1389705 1.1389705 (447.3995, 2788.03)(464.43054, 9603.775)(465.43335, 3419.42)(466.4303, 1650.01) 2 446.3955 446.3955@1.1389705 + 311.1578@1.1785971 1.1785971 (312.1651, 50757.88)(313.1712, 9571.97) 1 311.1578 311.1578@1.1785971 + 587.4727@1.1397845 1.1397845 (588.47955, 1972.9501)(589.4839, 1015.975)(610.4637, 1914.13) 6 587.4727 587.4727@1.1397845 + C12 H24 O4 1.1779788 [ C12 H24 O4, mfg=46.95, overall=46.95 ] (233.17412, 8035.8906)(234.17867, 1375.3618)(235.1683, 6183.77)(250.20169, 2559.7102)(255.15894, 7401.625) 22 232.1675 C12 H24 O4 + 151.141@1.1753154 1.1753154 (325.2759, 7513.3)(326.274, 764.57)(152.14903, 1807.0968) 9 151.141 151.141@1.1753154 + 418.3091@1.1819906 1.1819906 (419.31616, 19560.426) 2 418.3091 418.3091@1.1819906 + 644.5014@1.2140615 1.2140615 (645.50903, 1382.6934)(646.51965, 1047.475)(627.498, 8732.84)(628.4991, 6008.66)(629.5082, 3161.78)(667.4937, 1266.975) 3 644.5014 644.5014@1.2140615 + 311.2806@1.1835774 1.1835774 (312.28857, 2075.3467) 3 311.2806 311.2806@1.1835774 + 375.1717@1.1185595 1.1185595 (376.1781, 7457.9917)(377.1906, 2513.27)(393.2027, 999.07)(398.1605, 712.32) 11 375.1717 375.1717@1.1185595 + 331.235@1.2303301 1.2303301 (685.4539, 847.04)(332.2411, 4416.071)(333.24472, 1771.8186)(314.2323, 2361.85) 9 331.235 331.235@1.2303301 + 430.2006@1.1836705 1.1836705 (431.20526, 9143.255)(413.1995, 2842.17)(414.2063, 1504.73)(448.2295, 4082.1) 2 430.2006 430.2006@1.1836705 + 597.4951@1.1876864 1.1876864 (598.4998, 3201.8345)(599.5031, 1650.2509)(580.49286, 8984.904)(581.4961, 3472.7627)(582.4876, 1772.6875)(620.485, 4661.268)(621.48724, 2050.5134)(622.48535, 1106.89) 18 597.4951 597.4951@1.1876864 + C15 H40 Cl N9 1.1877989 [ C15 H40 Cl N9, mfg=81.07, overall=81.07 ] (382.31638, 51728.055)(383.32065, 12287.716)(384.31363, 12524.703)(385.3123, 4780.0)(404.2987, 9358.71)(405.301, 3322.685)(406.3063, 9567.619)(407.3041, 2434.31) 21 381.3091 C15 H40 Cl N9 + 409.3039@1.1875924 1.1875924 (410.3112, 15005.95)(411.3134, 4143.97) 1 409.3039 409.3039@1.1875924 + 276.2297@1.1896499 1.1896499 (277.2365, 15959.619)(278.24246, 4480.0674)(294.26364, 21143.928)(295.2655, 5889.0938)(296.2572, 12045.71) 13 276.2297 276.2297@1.1896499 + 9(S)-HpOTrE 1.1895744 C16321 9(S)-HpOTrE [ C18 H30 O4, mfg=71.16, db=71.03, overall=71.10, CAS ID=111004-08-1, Lipid ID=LMFA02000018, KEGG ID=C16321, METLIN ID=36025 ] 111004-08-1 (311.22205, 22473.938)(312.22336, 6150.0063)(333.20544, 10485.506)(334.2025, 3050.4302) 16 310.2145 9(S)-HpOTrE + LMFA02000018 333.3022@1.176626 1.176626 (689.5739, 2879.5)(334.30728, 9266.428)(335.3, 3186.24) 4 333.3022 333.3022@1.176626 + 428.1848@1.1972238 1.1972238 (429.19092, 4296.561)(430.1997, 1640.0377)(446.21997, 3376.696)(451.1722, 783.29) 9 428.1848 428.1848@1.1972238 + 199.1935@1.1950283 1.1950283 (399.39316, 2270.3699)(200.20064, 13617.489)(201.20424, 1850.778) 7 199.1935 199.1935@1.1950283 + 553.4538@1.2207965 1.2207965 (554.4614, 7940.8965)(555.46484, 2993.0432) 3 553.4538 553.4538@1.2207965 + 605.4671@1.162713 1.162713 (606.4673, 4806.39)(607.46814, 3015.8599)(608.4755, 3208.39) 23 605.4671 605.4671@1.162713 + 420.2324@1.122193 1.122193 (421.23874, 6696.04)(422.23648, 3226.9238)(423.2349, 2336.2)(438.2735, 1848.77)(443.22296, 8977.45)(444.2224, 3686.1) 14 420.2324 420.2324@1.122193 + 681.5199@1.1934237 1.1934237 (682.53467, 2203.605)(683.5241, 1073.26) 2 681.5199 681.5199@1.1934237 + 402.1316@1.1901675 1.1901675 (403.1385, 3801.6802) 2 402.1316 402.1316@1.1901675 + 327.2754@1.1945889 1.1945889 (328.2832, 1499.15)(310.272, 3709.65) 1 327.2754 327.2754@1.1945889 + 395.2882@1.1945889 1.1945889 (396.2955, 24727.91)(397.2991, 9405.79) 1 395.2882 395.2882@1.1945889 + 728.6365@1.1910605 1.1910605 (729.6414, 2242.7666)(730.65063, 1411.9951) 3 728.6365 728.6365@1.1910605 + 876.7971@1.2490187 1.2490187 (877.8037, 4880.5303)(878.8092, 2423.14)(879.815, 1196.22) 2 876.7971 876.7971@1.2490187 + 227.1881@1.197195 1.197195 (228.19572, 28697.87)(229.19914, 4408.3965)(250.1746, 1543.2) 3 227.1881 227.1881@1.197195 + 567.4421@1.1955882 1.1955882 (568.4494, 3813.39)(569.4429, 1309.46)(570.463, 2218.26) 1 567.4421 567.4421@1.1955882 + 206.167@1.1725008 1.1725008 (207.17407, 10526.593)(208.17598, 2272.8)(189.1635, 1106.24) 13 206.167 206.167@1.1725008 + 253.2393@1.2008746 1.2008746 (254.24625, 4919.75)(255.24776, 1208.8125) 4 253.2393 253.2393@1.2008746 + 323.2111@1.1975873 1.1975873 (324.2184, 3160.12) 1 323.2111 323.2111@1.1975873 + 437.2985@1.2333664 1.2333664 (438.30573, 13111.428)(439.30768, 5116.8584)(440.3184, 6731.89)(460.28223, 2558.2666)(461.2805, 2079.61) 20 437.2985 437.2985@1.2333664 + 619.3938@1.1995863 1.1995863 (620.4011, 4253.34)(621.4038, 1828.46) 1 619.3938 619.3938@1.1995863 + 6-keto PGE1 1.2029549 C05962 6-keto PGE1 [ C20 H32 O6, mfg=46.90, db=29.40, overall=38.15, Lipid ID=LMFA03010012, KEGG ID=C05962, METLIN ID=36094 ] (369.225, 18232.834)(370.2229, 6325.412)(386.2532, 12761.609)(391.2117, 22395.81)(392.2236, 6836.16) 19 368.2175 6-keto PGE1 + LMFA03010012 404.1845@1.2046198 1.2046198 (405.19046, 4796.5054)(406.20316, 1598.1635)(387.1844, 3019.04)(422.2123, 1092.12) 6 404.1845 404.1845@1.2046198 + C10 H21 N O 1.2045497 [ C10 H21 N O, mfg=86.11, overall=86.11 ] (343.3318, 1125.4)(172.16943, 9992.29)(173.1723, 1337.4327) 31 171.1621 C10 H21 N O + 211.1931@1.2152224 1.2152224 (212.19957, 3053.5625)(213.2034, 853.155) 4 211.1931 211.1931@1.2152224 + 358.1975@1.2268505 1.2268505 (359.20734, 14058.815)(360.20416, 4761.085)(361.2034, 2733.02) 2 358.1975 358.1975@1.2268505 + C28 H39 O 1.2187058 [ C28 H39 O, mfg=78.30, overall=78.30 ] (392.3087, 14168.752)(393.31158, 4126.678)(409.3383, 2012.89)(414.2856, 1787.6) 21 391.2974 C28 H39 O + C19 H35 N4 S 1.2029424 [ C19 H35 N4 S, mfg=47.51, overall=47.51 ] (725.506, 665.43)(352.26395, 12129.502)(353.2687, 4700.1763)(354.25058, 12631.227)(355.2511, 3036.085)(374.24768, 2770.15) 15 351.2562 C19 H35 N4 S + 390.2217@1.1718526 1.1718526 (391.2338, 11755.365)(392.2334, 5563.69)(393.2285, 2885.9) 2 390.2217 390.2217@1.1718526 + 283.2501@1.205322 1.205322 (284.25766, 2982.81)(285.25818, 996.47906)(286.248, 8140.56)(266.246, 1173.2) 16 283.2501 283.2501@1.205322 + 2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate 1.2087672 C07159 2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate [ C10 H14 O3, mfg=78.59, db=78.58, overall=78.58, CAS ID=1130-49-0, KEGG ID=C07159, METLIN ID=66598 ] 1130-49-0 (365.1959, 6447.1377)(366.20258, 3892.995)(382.22162, 3427.6035)(183.10152, 34736.977)(184.10475, 4651.2593)(185.0974, 2419.96)(165.09225, 7120.675)(166.0922, 1758.4451)(167.0809, 932.37)(200.12854, 2625.6548) 31 182.0944 2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate + 72.0578@1.2070621 1.2070621 (145.122, 2703.7815)(167.10596, 2574.435)(73.06443, 1629.4418) 6 72.0578 72.0578@1.2070621 + 288.2299@1.2060931 1.2060931 (599.4406, 1267.4)(289.23618, 3558.4207)(306.26392, 36647.67)(307.26498, 10326.666) 14 288.2299 288.2299@1.2060931 + 217.1317@1.2085047 1.2085047 (435.2754, 1842.57)(452.2953, 1652.37)(218.13882, 12454.044)(219.13753, 3592.5974)(220.13759, 2040.1957)(200.1278, 1053.5) 10 217.1317 217.1317@1.2085047 + 753.5828@1.136622 1.136622 (754.5958, 1001.78503)(755.6067, 759.62)(756.5961, 840.97) 2 753.5828 753.5828@1.136622 + 589.4807@1.2091014 1.2091014 (590.48773, 3076.936)(591.491, 1388.9244)(592.4741, 1943.0349) 10 589.4807 589.4807@1.2091014 + 597.2962@1.209581 1.209581 (598.3035, 877.62)(599.3118, 610.68) 1 597.2962 597.2962@1.209581 + 556.2603@1.2105803 1.2105803 (557.2676, 1821.25)(558.2683, 1207.87) 1 556.2603 556.2603@1.2105803 + Traumatic Acid + 1.2060251 1.2060251 C16308 Traumatic Acid [ C12 H20 O4, mfg=58.73, db=52.99, overall=55.86, CAS ID=6402-36-4, Lipid ID=LMFA01170002, KEGG ID=C16308, HMP ID=HMDB00933, METLIN ID=5882 ] 6402-36-4 (474.30634, 6337.117)(475.30762, 2884.4968)(479.2637, 1649.995)(229.14365, 15825.597)(230.14595, 5354.935)(231.13852, 2968.6626)(246.17049, 2757.843)(251.12796, 4459.32)(252.1286, 1870.0975) 11 228.1364 Traumatic Acid + 1.2060251 HMDB00933 + LMFA01170002 605.3773@1.2125795 1.2125795 (606.3846, 3128.18)(607.3881, 1756.41) 1 605.3773 605.3773@1.2125795 + 263.1732@1.2122661 1.2122661 (544.3785, 982.88)(264.18063, 9997.342)(265.18082, 4500.481)(266.18045, 2778.9885)(246.1716, 1970.91)(281.20755, 2067.3633)(286.1645, 2382.15) 15 263.1732 263.1732@1.2122661 + 454.2182@1.2085518 1.2085518 (455.22498, 3190.2468)(456.2257, 2329.72)(457.2298, 1213.23) 3 454.2182 454.2182@1.2085518 + C25 H51 N2 O S 1.2148746 [ C25 H51 N2 O S, mfg=70.33, overall=70.33 ] (428.3812, 3320.0999)(429.38083, 1299.0688)(430.38135, 768.4634) 19 427.3757 C25 H51 N2 O S + 511.3729@1.146456 1.146456 (512.3844, 34775.113)(513.3834, 21077.93)(514.383, 5597.31) 2 511.3729 511.3729@1.146456 + 212.1261@1.2148358 1.2148358 (442.2899, 1962.63)(213.13353, 15304.093)(214.13104, 3134.5332)(215.13025, 2990.925) 15 212.1261 212.1261@1.2148358 + 580.5394@1.1428959 1.1428959 (581.5523, 1750.7051)(582.55237, 1084.765)(598.5748, 2012.31)(599.5818, 1299.91) 2 580.5394 580.5394@1.1428959 + 315.1142@1.2165773 1.2165773 (316.1215, 3727.15)(317.1341, 1800.76) 1 315.1142 315.1142@1.2165773 + 497.3563@1.2518126 1.2518126 (498.363, 14886.406)(499.36847, 15843.205)(500.3714, 6508.44)(501.3743, 2181.04)(515.39, 1936.89)(520.3447, 2673.225) 9 497.3563 497.3563@1.2518126 + C32 H69 Cl2 N4 O 1.1761379 [ C32 H69 Cl2 N4 O, mfg=66.18, overall=66.18 ] (596.4932, 3894.4824)(597.49695, 1717.7823)(598.485, 2430.0747)(578.4791, 1097.35)(613.513, 1051.25)(618.4745, 943.87) 19 595.4817 C32 H69 Cl2 N4 O + 348.2866@1.2424785 1.2424785 (349.29236, 16812.209)(331.2832, 4549.43)(366.3203, 193379.83)(367.3232, 41117.72)(368.3157, 124734.01)(369.3193, 29604.29)(370.3314, 165959.88) 6 348.2866 348.2866@1.2424785 + 241.0777@1.2209846 1.2209846 (242.08514, 5284.0786)(243.08897, 1802.0835)(244.0852, 575.47) 13 241.0777 241.0777@1.2209846 + 465.3687@1.167341 1.167341 (466.37048, 4901.1094)(467.36298, 2082.5142)(468.37344, 1710.62)(483.4036, 1806.29)(488.3575, 15621.208)(489.361, 6904.0723)(490.37036, 6000.87) 9 465.3687 465.3687@1.167341 + 355.1843@1.2188866 1.2188866 (356.19183, 36728.5)(357.1966, 13439.07) 2 355.1843 355.1843@1.2188866 + 563.5117@1.1698952 1.1698952 (564.52374, 3924.205)(565.5222, 3787.36) 4 563.5117 563.5117@1.1698952 + 481.3603@1.2252796 1.2252796 (482.36908, 4266.0557)(483.3705, 2427.116)(484.3496, 8133.465)(485.3484, 3187.99) 5 481.3603 481.3603@1.2252796 + 591.3673@1.2133301 1.2133301 (592.3733, 3116.5176)(593.37445, 1411.25) 4 591.3673 591.3673@1.2133301 + 370.2623@1.1981906 1.1981906 (371.27344, 8534.097)(372.27316, 5062.02)(373.2896, 1099.28) 11 370.2623 370.2623@1.1981906 + 575.467@1.1915771 1.1915771 (576.4726, 1949.3365)(577.4832, 1638.04) 3 575.467 575.467@1.1915771 + 319.2357@1.2233151 1.2233151 (320.24295, 65901.85)(321.24664, 17739.514)(322.25446, 5226.56)(342.224, 2230.99) 11 319.2357 319.2357@1.2233151 + 467.3465@1.2235736 1.2235736 (468.3538, 19225.11) 1 467.3465 467.3465@1.2235736 + 561.4509@1.2217766 1.2217766 (562.4576, 3754.2378)(563.4611, 1659.1262) 9 561.4509 561.4509@1.2217766 + 218.0795@1.224573 1.224573 (219.0868, 10113.2)(220.0964, 2905.16)(221.0809, 3013.32) 1 218.0795 218.0795@1.224573 + 667.3105@1.2275715 1.2275715 (668.3178, 911.87) 1 667.3105 667.3105@1.2275715 + 208.1816@1.2285709 1.2285709 (209.1892, 3059.42)(231.1706, 5134.0) 1 208.1816 208.1816@1.2285709 + 253.1164@1.2295704 1.2295704 (254.1237, 22191.81)(255.1254, 6312.75) 1 253.1164 253.1164@1.2295704 + 334.2735@1.2357168 1.2357168 (335.27655, 16207.587)(336.27737, 4736.62)(352.3083, 126997.89)(353.3121, 24409.61) 6 334.2735 334.2735@1.2357168 + 619.4978@1.2453556 1.2453556 (620.50586, 5274.591)(621.506, 3009.4648)(622.51654, 1500.6234) 8 619.4978 619.4978@1.2453556 + C11 H22 N5 1.2338862 [ C11 H22 N5, mfg=74.72, overall=74.72 ] (449.3757, 1119.84)(466.40808, 4538.473)(467.4122, 1575.3987)(225.19467, 27329.586)(226.19032, 6744.154)(227.1996, 3007.93)(247.1761, 3769.5503) 25 224.1871 C11 H22 N5 + 569.414@1.2335682 1.2335682 (570.4212, 39409.49)(571.4252, 13677.32)(572.4258, 3573.88) 1 569.414 569.414@1.2335682 + 539.1546@1.1842681 1.1842681 (540.1622, 1921.99)(541.1631, 1040.55) 2 539.1546 539.1546@1.1842681 + 583.4329@1.2355671 1.2355671 (584.4401, 6228.5)(585.4362, 2199.98) 1 583.4329 583.4329@1.2355671 + 625.3179@1.2355671 1.2355671 (626.3251, 1565.13)(627.3252, 916.1) 1 625.3179 625.3179@1.2355671 + 547.424@1.2406616 1.2406616 (548.4305, 3698.93) 2 547.424 547.424@1.2406616 + C13 H18 1.2373652 [ C13 H18, mfg=43.55, overall=43.55 ] (349.29016, 7928.1304)(366.3135, 25199.73)(175.1478, 8679.272)(176.15022, 1758.3057)(177.1533, 4044.71) 16 174.1408 C13 H18 + C27 H51 N O S 1.2374486 [ C27 H51 N O S, mfg=89.68, overall=89.68 ] (438.37817, 72914.69)(439.38165, 20334.066)(440.3769, 7332.41)(441.38046, 1379.005)(460.35938, 1602.925) 33 437.3709 C27 H51 N O S + 555.3986@1.2331325 1.2331325 (556.41394, 9105.067)(557.4138, 3667.0059)(558.4204, 2382.992)(559.4244, 1258.93)(560.4154, 4391.68) 7 555.3986 555.3986@1.2331325 + 320.256@1.2405646 1.2405646 (321.263, 47806.5)(322.2681, 15334.46)(338.2899, 131621.44)(339.2931, 25156.74) 1 320.256 320.256@1.2405646 + 669.5392@1.2523869 1.2523869 (670.53973, 3108.0632)(671.5445, 1579.69)(672.5247, 2946.76) 6 669.5392 669.5392@1.2523869 + 634.9694@1.244164 1.244164 (635.9881, 2121.9568) 6 634.9694 634.9694@1.244164 + 148.1245@1.2440722 1.2440722 (149.13168, 9033.204)(150.13435, 1384.9634)(166.15839, 1953.165) 7 148.1245 148.1245@1.2440722 + 541.3822@1.2417132 1.2417132 (542.39374, 9280.517)(543.3957, 4214.439)(544.38574, 4514.82)(545.4047, 2370.41) 13 541.3822 541.3822@1.2417132 + 341.2923@1.242462 1.242462 (683.5851, 739.11)(342.29968, 7536.3457)(343.30252, 1929.6323)(364.2809, 19888.35)(365.2834, 6145.53) 24 341.2923 341.2923@1.242462 + 239.0618@1.2527963 1.2527963 (240.06856, 4803.824)(241.06995, 1595.8275)(222.0531, 1626.51) 12 239.0618 239.0618@1.2527963 + 655.5235@1.2496574 1.2496574 (656.5275, 4863.3574)(657.5264, 2177.4326)(658.518, 968.18) 4 655.5235 655.5235@1.2496574 + 624.3135@1.2184843 1.2184843 (625.32025, 2769.625)(626.3275, 1257.705) 6 624.3135 624.3135@1.2184843 + 663.5023@1.2410758 1.2410758 (664.5127, 3715.8225)(665.5095, 2075.2) 4 663.5023 663.5023@1.2410758 + 435.3581@1.2375822 1.2375822 (436.36426, 2366.48)(458.3474, 22786.38)(459.3497, 5631.26) 2 435.3581 435.3581@1.2375822 + 605.3438@1.2457253 1.2457253 (606.352, 2600.03)(607.36053, 1272.6316)(608.36224, 876.08496) 6 605.3438 605.3438@1.2457253 + C21 H48 N3 S2 1.2474296 [ C21 H48 N3 S2, mfg=96.66, overall=96.66 ] (407.3317, 3016.7761)(424.36255, 74928.11)(425.3662, 19510.443)(426.3597, 8339.02)(429.31146, 1534.61) 15 406.3286 C21 H48 N3 S2 + 262.2295@1.234778 1.234778 (263.23386, 2046.2968)(280.26328, 18849.275)(281.265, 4667.61)(285.212, 2376.73) 6 262.2295 262.2295@1.234778 + 434.2769@1.2457054 1.2457054 (435.28336, 7701.404)(436.28418, 7001.263)(437.2908, 3377.71)(452.3111, 3103.53) 5 434.2769 434.2769@1.2457054 + 399.2116@1.2495598 1.2495598 (400.2189, 21210.17)(401.2294, 6345.49) 1 399.2116 399.2116@1.2495598 + 613.4411@1.2505592 1.2505592 (614.4484, 25985.78)(615.4544, 9894.76)(616.456, 4455.71) 1 613.4411 613.4411@1.2505592 + 535.4084@1.1746217 1.1746217 (536.4139, 5944.2915)(537.415, 3443.2688)(538.4239, 3843.5967)(539.4344, 2356.79)(540.4448, 7851.11)(541.4386, 764.92)(518.3987, 3327.07) 18 535.4084 535.4084@1.1746217 + 647.4614@1.1997017 1.1997017 (648.4652, 5266.086)(649.4678, 3168.3975)(650.4667, 2145.6775)(665.4967, 1883.37)(666.5043, 486.17)(670.4522, 6646.01)(671.4526, 4571.84) 5 647.4614 647.4614@1.1997017 + 429.3921@1.2509304 1.2509304 (430.3993, 4398.703)(431.40097, 1476.1687)(432.402, 519.03) 17 429.3921 429.3921@1.2509304 + 519.404@1.2481128 1.2481128 (520.4111, 6858.2534)(521.40955, 2703.384)(542.39343, 2878.2776)(543.3955, 1314.6)(544.3876, 1209.54) 6 519.404 519.404@1.2481128 + 607.5384@1.2531333 1.2531333 (608.54425, 4940.485) 2 607.5384 607.5384@1.2531333 + 599.4247@1.2512248 1.2512248 (600.43713, 17533.969)(601.4396, 7135.845)(602.43176, 2552.53) 2 599.4247 599.4247@1.2512248 + 467.346@1.2525581 1.2525581 (468.3533, 20669.33)(469.3565, 7936.97) 1 467.346 467.346@1.2525581 + 494.3587@1.2525581 1.2525581 (495.366, 2697.11) 1 494.3587 494.3587@1.2525581 + C13 H23 N2 O 1.2529709 [ C13 H23 N2 O, mfg=46.75, overall=46.75 ] (224.18575, 23203.746)(225.1903, 23268.035)(246.1698, 13573.09) 27 223.1784 C13 H23 N2 O + 570.2727@1.2968936 1.2968936 (571.2855, 21070.035)(572.2892, 7623.355)(573.2942, 1350.42) 2 570.2727 570.2727@1.2968936 + 409.3401@1.2536316 1.2536316 (410.34247, 121761.17)(411.3467, 30991.2)(412.33334, 11088.677)(413.3515, 4586.18) 7 409.3401 409.3401@1.2536316 + 444.2741@1.2525581 1.2525581 (445.2814, 2047.0) 1 444.2741 444.2741@1.2525581 + 535.4774@1.2535576 1.2535576 (536.4847, 1008.74) 1 535.4774 535.4774@1.2535576 + 430.3103@1.2563921 1.2563921 (431.31488, 2992.0725)(448.3456, 3465.49) 4 430.3103 430.3103@1.2563921 + 288.1936@1.2531174 1.2531174 (289.20065, 17264.287)(290.2032, 6226.8413)(291.192, 6095.425)(306.2292, 1955.11)(311.18515, 3841.765) 7 288.1936 288.1936@1.2531174 + C25 H49 N O4 S2 1.2496711 [ C25 H49 N O4 S2, mfg=90.63, overall=90.63 ] (492.31723, 16338.59)(493.32108, 5353.9585)(494.3167, 3350.6062)(514.2998, 804.235) 36 491.3096 C25 H49 N O4 S2 + 620.3654@1.254557 1.254557 (621.3726, 2180.77)(622.3769, 1193.09)(623.3808, 970.27) 1 620.3654 620.3654@1.254557 + 253.1168@1.254557 1.254557 (254.1241, 20981.09) 1 253.1168 253.1168@1.254557 + 610.2965@1.2525002 1.2525002 (611.30536, 2060.4167)(612.3081, 1288.995)(613.3114, 1064.435) 3 610.2965 610.2965@1.2525002 + 307.234@1.2520418 1.2520418 (615.47076, 1723.3059)(308.24075, 6433.8525)(330.22607, 3370.44) 25 307.234 307.234@1.2520418 + 378.2977@1.254557 1.254557 (379.3048, 48802.94)(380.3047, 17510.88)(381.3108, 4893.91)(396.3315, 832381.75)(397.3351, 180850.48)(398.3358, 36940.95)(399.3371, 4848.7)(401.2897, 5737.34) 1 378.2977 378.2977@1.254557 + 637.3201@1.2555566 1.2555566 (638.3273, 1882.63)(639.3289, 1146.43) 1 637.3201 637.3201@1.2555566 + D-Glucosyldihydrosphingosine 1.2545047 C03858 D-Glucosyldihydrosphingosine [ C24 H49 N O7, mfg=96.35, db=96.35, overall=96.35, KEGG ID=C03858, METLIN ID=66066 ] (464.35782, 168699.3)(465.36108, 44941.598)(466.36075, 11443.102)(467.36105, 2667.8313)(481.3903, 1357.21)(486.33963, 1863.2168) 34 463.3506 D-Glucosyldihydrosphingosine + C11 H20 N2 O 1.2552217 [ C11 H20 N2 O, mfg=43.82, overall=43.82 ] (393.31775, 21902.363)(410.34137, 15061.944)(411.34555, 4673.366)(412.32874, 4740.6177)(413.3301, 0.0)(414.3194, 1254.38)(415.3031, 6203.01)(197.162, 18497.863)(219.144, 2263.915) 27 196.1553 C11 H20 N2 O + 583.4676@1.2291313 1.2291313 (584.47235, 5412.753)(585.46967, 2346.1238)(586.4586, 3136.79)(566.4657, 4683.5)(567.4703, 3025.85)(568.4767, 2711.21)(606.4555, 2347.7766) 13 583.4676 583.4676@1.2291313 + 513.3669@1.2316927 1.2316927 (514.3705, 4189.136)(515.3737, 2786.2864)(516.3733, 7854.6)(536.3467, 3290.33)(537.3464, 1806.9) 5 513.3669 513.3669@1.2316927 + 206.1617@1.255287 1.255287 (413.33594, 1813.565)(430.3491, 923.02)(435.30917, 1679.2101)(207.16873, 62345.98)(208.17123, 14131.678)(209.15921, 8302.584) 13 206.1617 206.1617@1.255287 + 623.4855@1.1930711 1.1930711 (624.4874, 1926.0399)(625.4789, 1516.98) 2 623.4855 623.4855@1.1930711 + 357.3252@1.2555238 1.2555238 (737.6399, 4100.63)(738.6432, 2019.14)(739.6505, 1935.65)(358.32974, 1652.858)(359.3287, 862.47) 5 357.3252 357.3252@1.2555238 + 534.4762@1.2564228 1.2564228 (535.48126, 1442.7001)(536.4769, 1045.75)(517.4701, 1004.45)(557.4621, 1147.1) 3 534.4762 534.4762@1.2564228 + C10 H22 N3 O4 1.2542741 [ C10 H22 N3 O4, mfg=55.80, overall=55.80 ] (497.3335, 1440.6901)(514.35803, 2182.106)(515.35846, 1408.93)(519.3185, 1044.1001)(249.16971, 57045.184)(250.17676, 28662.031)(231.15974, 16970.195)(232.1594, 4633.2456)(233.1536, 1857.93)(266.1962, 35122.297)(267.1972, 13996.91)(268.1833, 9328.17)(271.15363, 7979.6265)(272.15326, 2806.1707) 21 248.1626 C10 H22 N3 O4 + 681.5971@1.2565559 1.2565559 (682.6044, 2018.4)(683.6108, 1403.85) 1 681.5971 681.5971@1.2565559 + 732.6007@1.2573819 1.2573819 (733.6068, 3441.3025)(734.61975, 2037.1749)(735.6245, 12544.414)(736.6272, 6351.7695)(737.63934, 20095.74) 4 732.6007 732.6007@1.2573819 + 253.2386@1.2571551 1.2571551 (254.24432, 3325.5571)(255.24579, 1171.19)(276.23004, 1655.6799) 4 253.2386 253.2386@1.2571551 + 297.1426@1.2565559 1.2565559 (298.1499, 66549.83)(299.1532, 11995.47)(300.1544, 3766.24) 1 297.1426 297.1426@1.2565559 + 474.3467@1.2555287 1.2555287 (475.35016, 1548.775)(492.3779, 7506.1797)(493.3733, 3851.785)(494.36462, 5202.24) 2 474.3467 474.3467@1.2555287 + C11 H29 N5 O2 S 1.253662 [ C11 H29 N5 O2 S, mfg=76.09, overall=76.09 ] (296.20834, 11431.685)(297.20676, 4875.42)(298.20093, 4451.9404)(278.1999, 2264.23)(313.23734, 29958.104)(314.239, 8448.021)(315.23758, 2357.8733)(318.19272, 6417.7715)(319.19165, 3439.8333)(320.1796, 1817.11) 25 295.2009 C11 H29 N5 O2 S + C23 H33 N2 O4 1.239156 [ C23 H33 N2 O4, mfg=47.61, overall=47.61 ] (803.49316, 1010.26337)(825.479, 738.5)(826.4932, 527.32)(402.24997, 8256.517)(403.25125, 3775.5435)(404.2354, 2479.31)(419.2778, 2089.52)(424.23102, 4005.4072)(425.2387, 1940.72) 26 401.2439 C23 H33 N2 O4 + 762.6405@1.2565559 1.2565559 (763.6485, 1282.24)(764.6525, 633.1)(765.6669, 850.38)(785.6288, 805.37) 1 762.6405 762.6405@1.2565559 + 704.6402@1.2579476 1.2579476 (705.6486, 1871.0941)(706.65204, 1125.2566)(707.6648, 4209.22)(708.66797, 1840.665)(709.6719, 820.42)(687.6424, 694.28)(727.6283, 1206.328) 7 704.6402 704.6402@1.2579476 + 544.4953@1.2564434 1.2564434 (545.50336, 2017.4781)(546.5037, 1262.484)(547.49133, 2580.9775) 5 544.4953 544.4953@1.2564434 + 364.2824@1.2566314 1.2566314 (365.28693, 53021.523)(366.2975, 52880.33)(382.31555, 731596.06)(383.31955, 152030.2)(384.3151, 40868.93)(385.3198, 10467.87) 2 364.2824 364.2824@1.2566314 + 553.4167@1.2574531 1.2574531 (554.4227, 2914.178)(555.4256, 1911.7899)(556.4149, 2527.59)(536.4154, 2175.21)(576.4063, 2256.73)(577.4063, 1860.12) 5 553.4167 553.4167@1.2574531 + 754.5916@1.2575555 1.2575555 (755.5989, 1546.56)(756.6009, 1225.52)(757.605, 2215.4) 1 754.5916 754.5916@1.2575555 + 363.2672@1.2610964 1.2610964 (744.5812, 3276.78)(745.5851, 2410.46)(364.2759, 14189.531)(365.27768, 5015.91)(346.262, 2573.21)(381.3047, 1138.2)(386.25574, 12564.635)(387.2532, 4382.8896)(388.25955, 4529.85) 7 363.2672 363.2672@1.2610964 + C16 H37 N10 O 1.2564448 [ C16 H37 N10 O, mfg=79.70, overall=79.70 ] (386.3259, 24566.746)(387.32077, 9899.942)(388.3108, 5273.21)(368.3107, 12709.17)(369.3127, 3092.56)(403.35416, 1074.335)(408.30768, 8234.849)(409.30872, 3077.961) 29 385.3186 C16 H37 N10 O + 695.6179@1.2575555 1.2575555 (696.6248, 15643.87)(697.627, 6953.67)(698.6195, 2257.81)(718.6093, 2486.99) 1 695.6179 695.6179@1.2575555 + 301.1295@1.2575555 1.2575555 (603.2704, 2875.85)(604.2774, 1138.31)(605.286, 3886.62)(606.2891, 1692.16)(607.297, 717.37)(302.1367, 1700.33)(319.1596, 1711.01) 1 301.1295 301.1295@1.2575555 + 667.5858@1.2575555 1.2575555 (668.593, 11833.49)(669.597, 5168.36)(670.5986, 2197.25)(690.575, 2156.13)(691.5873, 1502.32)(692.5824, 932.78) 1 667.5858 667.5858@1.2575555 + 718.6209@1.2576431 1.2576431 (719.6277, 3111.6064)(720.63007, 2091.831)(721.64514, 22251.885)(722.6461, 2183.05)(723.6588, 2941.31)(724.664, 1385.03)(701.6142, 1687.6)(741.61035, 1489.1133)(742.6105, 1330.68)(743.6267, 10910.56) 9 718.6209 718.6209@1.2576431 + 342.1857@1.294181 1.294181 (343.19043, 8330.261)(344.1918, 2427.06) 3 342.1857 342.1857@1.294181 + 455.3256@1.130869 1.130869 (456.32953, 6685.4946)(457.33316, 3227.0867)(458.34274, 3395.9702)(438.31516, 4131.75)(439.3027, 2442.09)(478.3123, 1461.92) 7 455.3256 455.3256@1.130869 + Rimantadine 1.2911017 C07236 Rimantadine [ C12 H21 N, mfg=46.96, db=46.95, overall=46.95, CAS ID=, KEGG ID=C07236, METLIN ID=43325 ] (180.17432, 6356.4146) 19 179.1669 Rimantadine + 723.6509@1.2577627 1.2577627 (724.6608, 5494.86)(725.66516, 3290.445)(726.6668, 1384.12)(746.6421, 2190.595)(747.6487, 1351.725)(748.6547, 819.66003) 3 723.6509 723.6509@1.2577627 + 228.137@1.2588407 1.2588407 (229.14551, 13124.414)(230.14395, 3046.2676)(211.13324, 21337.314)(246.16965, 11898.39)(251.1275, 4150.53) 4 228.137 228.137@1.2588407 + 758.6124@1.2595468 1.2595468 (759.6173, 3010.562)(760.61896, 1700.1711)(761.6311, 1571.0613)(762.64825, 782.88)(763.6493, 859.53)(741.6094, 877.56)(781.5839, 1473.62) 16 758.6124 758.6124@1.2595468 + 311.2435@1.2561274 1.2561274 (312.24985, 4479.6846)(329.2795, 995.13) 2 311.2435 311.2435@1.2561274 + 728.6377@1.2427264 1.2427264 (729.6455, 3480.6826)(730.651, 1691.7124)(731.6503, 1157.1) 4 728.6377 728.6377@1.2427264 + C40 H79 N O S3 1.2583251 [ C40 H79 N O S3, mfg=81.04, overall=81.04 ] (686.5413, 4875.175)(687.5442, 2409.783)(688.53204, 1214.6328)(708.52124, 1025.8966)(709.5035, 883.88) 25 685.5342 C40 H79 N O S3 + 639.5541@1.2595544 1.2595544 (640.5614, 9463.08)(641.5581, 4419.03) 1 639.5541 639.5541@1.2595544 + C13 H25 N O3 + 1.2584482 1.2584482 [ C13 H25 N O3, mfg=99.69, overall=99.69 ] (487.37125, 1686.3154)(509.35873, 6648.9546)(510.35883, 4259.528)(511.36185, 2050.8801)(244.19092, 557077.56)(245.19417, 79276.31)(246.19572, 10539.931)(247.19727, 1528.8378)(226.1803, 323480.75)(227.18259, 54227.2)(261.2193, 1233.4851)(266.17426, 85786.4)(267.17307, 19429.79)(268.1821, 8525.91) 34 243.1838 C13 H25 N O3 + 1.2584482 + 678.6275@1.2584652 1.2584652 (679.63477, 1968.21)(680.6383, 1531.31)(701.61597, 2690.0432)(702.61945, 1779.0067)(703.6331, 4349.5)(704.6355, 3161.5)(705.64905, 9107.65)(706.6517, 4052.09) 3 678.6275 678.6275@1.2584652 + 672.2771@1.2595544 1.2595544 (673.2843, 1916.75)(674.2836, 722.79) 1 672.2771 672.2771@1.2595544 + 637.5076@1.2643332 1.2643332 (638.51086, 2637.53)(639.5217, 1905.08)(640.4939, 2731.82) 2 637.5076 637.5076@1.2643332 + 651.5649@1.2569175 1.2569175 (652.56726, 3298.7)(653.5542, 1634.9249)(654.56244, 1643.69) 2 651.5649 651.5649@1.2569175 + 251.2238@1.2540486 1.2540486 (503.4566, 685.54004)(520.4863, 1429.04)(252.23068, 3075.7632) 10 251.2238 251.2238@1.2540486 + 661.5247@1.1980639 1.1980639 (662.5343, 2074.3)(679.5566, 936.0) 2 661.5247 661.5247@1.1980639 + 313.26@1.2598039 1.2598039 (627.52985, 1227.18)(649.5045, 764.23)(314.26727, 4937.4937)(315.26544, 1733.6101)(316.2595, 3832.7434)(296.2554, 5632.98)(336.24835, 3430.1516) 14 313.26 313.26@1.2598039 + C8 H16 N5 1.2601928 [ C8 H16 N5, mfg=47.46, overall=47.46 ] (382.31284, 28726.87)(383.3192, 7868.1797)(384.3089, 16082.342)(387.2706, 8853.64)(183.14502, 9893.614)(184.13753, 2377.7966)(205.12726, 2428.018) 27 182.1398 C8 H16 N5 + 753.6299@1.238188 1.238188 (754.6346, 2756.716)(755.6425, 1604.9266)(776.6192, 2227.76) 5 753.6299 753.6299@1.238188 + 267.1829@1.2592732 1.2592732 (552.3885, 1985.03)(268.18674, 11275.385)(285.2113, 2003.89)(290.16638, 3187.1426) 10 267.1829 267.1829@1.2592732 + 768.6181@1.259393 1.259393 (769.62726, 2116.4163)(770.62756, 1302.615)(771.631, 1180.85)(751.61865, 2986.9001)(752.6211, 2111.0767)(753.63403, 4289.33)(754.6355, 1973.58)(755.6395, 1204.35)(791.6056, 1530.0701)(792.60455, 1047.095)(793.5834, 1064.27) 8 768.6181 768.6181@1.259393 + 716.6035@1.2607205 1.2607205 (717.60876, 1832.2742)(718.6162, 1064.5149)(719.6276, 3078.74)(720.6294, 1831.0332)(734.6386, 634.98) 5 716.6035 716.6035@1.2607205 + 436.3537@1.2615533 1.2615533 (437.361, 5252.28) 1 436.3537 436.3537@1.2615533 + 586.2674@1.2615533 1.2615533 (587.2747, 4113.26)(588.2803, 1571.16) 1 586.2674 586.2674@1.2615533 + 168.1497@1.259237 1.259237 (169.15749, 2688.5466)(170.1547, 1027.05)(151.1477, 2196.69) 12 168.1497 168.1497@1.259237 + 512.41@1.2605255 1.2605255 (513.42334, 2660.8198)(514.43823, 1249.895) 2 512.41 512.41@1.2605255 + 415.2931@1.2606869 1.2606869 (416.29916, 3928.9082)(417.30347, 2114.5432)(433.3337, 2360.44) 5 415.2931 415.2931@1.2606869 + 762.5747@1.2615533 1.2615533 (763.582, 1298.04)(764.5701, 872.46)(765.5985, 1572.42) 1 762.5747 762.5747@1.2615533 + 499.3492@1.2615533 1.2615533 (500.3564, 5378.91)(501.3692, 2305.28) 1 499.3492 499.3492@1.2615533 + 556.2577@1.2625527 1.2625527 (557.2652, 3195.07)(558.2725, 1194.22)(574.2908, 1207.0)(575.3005, 852.96) 1 556.2577 556.2577@1.2625527 + Darlingine 1.2609951 C10857 Darlingine [ C13 H17 N O2, mfg=60.17, db=60.14, overall=60.15, CAS ID=58471-10-6, KEGG ID=C10857, METLIN ID=68635 ] 58471-10-6 (439.2597, 1279.0)(220.13339, 19053.906)(221.13414, 5094.085)(242.1119, 1325.33) 13 219.126 Darlingine + 774.6054@1.2605975 1.2605975 (775.61066, 1684.3448)(776.6133, 1065.5038)(777.626, 1150.8099)(757.598, 1501.67)(758.5952, 1346.59) 8 774.6054 774.6054@1.2605975 + C10 H19 N O2 1.2658219 [ C10 H19 N O2, mfg=86.42, overall=86.42 ] (186.14885, 33540.047)(187.15106, 4623.9185)(188.15382, 2485.25)(208.13246, 4100.4253) 26 185.1415 C10 H19 N O2 + 535.3369@1.259817 1.259817 (536.34564, 3671.7888)(537.3461, 1961.9585) 15 535.3369 535.3369@1.259817 + 333.3024@1.262628 1.262628 (334.30957, 7123.9434)(335.30954, 2618.0386) 18 333.3024 333.3024@1.262628 + 590.4989@1.2638354 1.2638354 (591.5046, 4098.165)(592.5055, 2303.79)(593.49066, 19543.35)(594.4913, 4584.25) 2 590.4989 590.4989@1.2638354 + 414.2387@1.2594384 1.2594384 (415.24512, 3075.148)(416.26, 2980.755) 5 414.2387 414.2387@1.2594384 + 618.4937@1.267481 1.267481 (619.50104, 12050.222)(620.50354, 3896.804)(621.50916, 2400.3782) 6 618.4937 618.4937@1.267481 + 602.4983@1.2646847 1.2646847 (603.50354, 2123.5698)(604.50494, 1595.386)(605.4853, 2742.0225)(606.48444, 682.50665)(607.5002, 4129.717)(625.4889, 1399.21) 5 602.4983 602.4983@1.2646847 + 594.4962@1.2549039 1.2549039 (595.503, 10896.653)(596.5067, 9418.581)(597.51874, 20976.195)(598.5199, 8617.65)(599.5149, 3818.03)(577.49133, 1743.5582)(578.49194, 1042.0433)(617.4835, 4008.6328)(618.48206, 2382.247)(619.50104, 5372.565)(620.5032, 2684.555)(621.5084, 1277.8301) 19 594.4962 594.4962@1.2549039 + 646.4897@1.2627954 1.2627954 (647.49176, 1964.7267)(648.4937, 1233.53)(649.5038, 1911.0701) 3 646.4897 646.4897@1.2627954 + 235.1221@1.2665142 1.2665142 (493.2401, 1006.79)(236.12943, 10460.1045)(237.1417, 6212.19) 8 235.1221 235.1221@1.2665142 + 425.335@1.2708368 1.2708368 (426.343, 35249.66)(427.34845, 8575.51)(428.33722, 2638.08)(429.3486, 438.03) 2 425.335 425.335@1.2708368 + 4-Methylaminobutanal 1.2688656 C10974 4-Methylaminobutanal [ C5 H11 N O, mfg=81.49, db=81.49, overall=81.49, KEGG ID=C10974, METLIN ID=68736 ] (203.1773, 1753.58)(102.090996, 10966.485)(103.09376, 1087.0033) 16 101.0839 4-Methylaminobutanal + 351.261@1.2707629 1.2707629 (352.26746, 6929.3604)(353.269, 3353.24)(374.2538, 1686.26) 2 351.261 351.261@1.2707629 + 108.0938@1.25553 1.25553 (234.2202, 717.1)(109.10109, 14177.044)(110.10293, 1787.6855)(131.0809, 4286.12) 19 108.0938 108.0938@1.25553 + 229.2023@1.2780288 1.2780288 (230.20984, 6770.2207)(231.21194, 1431.6921) 12 229.2023 229.2023@1.2780288 + 341.1692@1.2785441 1.2785441 (342.1764, 9202.73) 1 341.1692 341.1692@1.2785441 + 170.1415@1.2788062 1.2788062 (171.14893, 64962.32) 13 170.1415 170.1415@1.2788062 + 591.3279@1.2895424 1.2895424 (592.33685, 2586.01)(593.3368, 1511.51) 2 591.3279 591.3279@1.2895424 + 596.281@1.2920765 1.2920765 (597.2899, 1957.6566)(598.2947, 937.42) 3 596.281 596.281@1.2920765 + C37 H71 Cl O S 1.31055 [ C37 H71 Cl O S, mfg=73.03, overall=73.03 ] (599.49854, 2967.0579)(600.5044, 1387.5765)(601.4981, 1525.5051)(581.48987, 2580.205)(621.4822, 1904.21)(622.49304, 1236.5)(623.4975, 1345.7849) 20 598.4919 C37 H71 Cl O S + 172.1574@1.2881988 1.2881988 (173.16435, 5265.291)(174.16685, 1052.6921) 18 172.1574 172.1574@1.2881988 + 538.4305@1.293536 1.293536 (539.4378, 2216.3) 1 538.4305 538.4305@1.293536 + 663.4246@1.2955347 1.2955347 (664.4319, 3994.64)(665.4341, 1941.71) 1 663.4246 663.4246@1.2955347 + 1278.3431@1.2681668 1.2681668 (1279.3502, 12320.871)(1280.3495, 8558.334)(1281.3484, 5232.151)(1282.3475, 4004.0525)(1283.3478, 10036.69) 23 1278.3431 1278.3431@1.2681668 + 583.4653@1.2670047 1.2670047 (584.4693, 5252.8555)(585.4694, 2142.8708)(586.4679, 1400.23) 11 583.4653 583.4653@1.2670047 + 586.269@1.3075281 1.3075281 (587.2762, 1793.72)(588.2771, 1041.27) 1 586.269 586.269@1.3075281 + Lentiginosine + 1.3061546 1.3061546 C10155 Lentiginosine [ C8 H15 N O2, mfg=79.80, db=79.80, overall=79.80, CAS ID=125279-72-3, KEGG ID=C10155, METLIN ID=68160 ] 125279-72-3 (315.2259, 839.72)(158.11722, 16687.363)(159.1174, 1849.1674)(160.1237, 1048.75)(140.1066, 1538.47)(180.10072, 4810.773) 29 157.11 Lentiginosine + 1.3061546 + 649.4068@1.309527 1.309527 (650.4141, 2962.9)(651.4197, 1218.42)(652.4198, 769.6) 1 649.4068 649.4068@1.309527 + 406.3282@1.309527 1.309527 (407.3329, 1059.18)(424.3623, 11397.52)(425.3691, 4473.98) 1 406.3282 406.3282@1.309527 + 877.8012@1.38153 1.38153 (878.81305, 1609.8)(879.8159, 835.54504) 2 877.8012 877.8012@1.38153 + 342.0267@1.310943 1.310943 (343.03406, 1561.0847)(360.06052, 4840.833)(361.06378, 1001.60803)(365.01627, 958.48663) 15 342.0267 342.0267@1.310943 + 257.1992@1.3194698 1.3194698 (532.4269, 917.24)(258.2063, 5479.0)(259.206, 2058.767)(260.20294, 3602.6345)(261.20682, 469.57748)(240.19373, 3411.75)(241.1929, 996.06)(275.2324, 1423.4137)(276.2311, 245.09)(277.2364, 2286.79)(280.1862, 2525.5698)(281.2007, 1592.34)(282.189, 1727.62) 23 257.1992 257.1992@1.3194698 + 489.3566@1.3159276 1.3159276 (490.36398, 6054.6914)(491.36902, 2857.0825)(492.37048, 1388.6699) 6 489.3566 489.3566@1.3159276 + 582.2644@1.3228173 1.3228173 (583.2722, 2796.12)(584.27783, 1058.225) 2 582.2644 582.2644@1.3228173 + 409.3399@1.3221968 1.3221968 (410.3456, 20293.467)(411.3509, 13420.27)(412.3533, 3030.3) 3 409.3399 409.3399@1.3221968 + 643.4517@1.3225199 1.3225199 (644.4589, 6789.57)(645.4629, 2677.53)(646.4627, 1227.75) 1 643.4517 643.4517@1.3225199 + 577.3103@1.323317 1.323317 (578.31805, 2934.0698)(579.32245, 1459.62) 2 577.3103 577.3103@1.323317 + 481.3259@1.3673888 1.3673888 (482.33185, 2089.001)(483.33572, 941.2651)(504.3171, 979.23) 11 481.3259 481.3259@1.3673888 + 562.4297@1.3212857 1.3212857 (563.438, 1716.1101)(564.43585, 828.75)(565.4501, 1324.1) 2 562.4297 562.4297@1.3212857 + 635.3914@1.3245188 1.3245188 (636.3987, 4626.18)(637.4002, 2032.41)(638.3985, 1248.05) 1 635.3914 635.3914@1.3245188 + 555.3967@1.3245188 1.3245188 (556.404, 6068.01)(557.4085, 2509.26) 1 555.3967 555.3967@1.3245188 + C12 H23 N O3 + 1.318151 1.318151 [ C12 H23 N O3, mfg=99.27, overall=99.27 ] (481.3216, 1738.56)(230.17526, 94372.04)(231.17802, 13788.351)(232.18031, 1599.9124)(212.16449, 72820.01)(213.16597, 11876.403)(252.15802, 27831.71)(253.1579, 3890.88)(254.161, 3054.2)(255.1583, 208.34) 18 229.168 C12 H23 N O3 + 1.318151 + 425.165@1.3083 1.3083 (426.1716, 2161.6873)(427.17758, 1174.7616) 11 425.165 425.165@1.3083 + 497.3555@1.3325143 1.3325143 (498.3627, 5826.84)(499.3666, 2364.52) 1 497.3555 497.3555@1.3325143 + 378.2976@1.3345133 1.3345133 (379.3048, 6115.3)(380.3077, 948.47)(381.3091, 710.99)(396.3315, 82055.52)(397.3348, 17641.52)(398.3381, 3773.15) 1 378.2976 378.2976@1.3345133 + 541.3821@1.3355126 1.3355126 (542.3894, 11512.89)(543.3921, 3958.48) 1 541.3821 541.3821@1.3355126 + 679.4199@1.3405098 1.3405098 (680.4272, 3394.04)(681.4282, 1476.41) 1 679.4199 679.4199@1.3405098 + 166.1358@1.342041 1.342041 (333.2812, 949.25)(350.3038, 2130.13)(351.3102, 761.35)(167.1434, 3041.3755)(168.14117, 1375.7451)(149.13237, 1929.892)(184.16957, 9674.882)(185.17029, 1689.6606)(189.1259, 2281.53) 18 166.1358 166.1358@1.342041 + 599.4601@1.2773738 1.2773738 (600.4729, 3412.605)(601.4694, 1902.2)(602.4636, 676.79)(582.4677, 1461.02) 2 599.4601 599.4601@1.2773738 + 1349.362@1.3418214 1.3418214 (1350.3691, 2847.957)(1351.3698, 3373.5078)(1352.3691, 3916.698)(1353.3691, 3083.4006)(1354.3678, 2337.919)(1355.3678, 2008.9467)(1356.3655, 1435.5549)(1357.3658, 694.96) 22 1349.362 1349.362@1.3418214 + 1354.3593@1.341662 1.341662 (1355.3671, 5239.1826)(1356.3652, 2783.5098)(1357.3652, 1741.5549)(1358.365, 292.54) 4 1354.3593 1354.3593@1.341662 + 177.0997@1.3369536 1.3369536 (178.10712, 8738.902)(179.1065, 3780.94) 4 177.0997 177.0997@1.3369536 + 408.3086@1.3409842 1.3409842 (409.3158, 5171.67)(410.3154, 5326.23)(426.34222, 22706.1)(427.34726, 5892.835)(428.34558, 1730.585)(431.2986, 2071.88) 3 408.3086 408.3086@1.3409842 + 425.3351@1.3417296 1.3417296 (426.34137, 47227.914)(427.34766, 19931.658)(428.34854, 6696.5654)(429.3513, 3728.65) 13 425.3351 425.3351@1.3417296 + 363.2272@1.3524492 1.3524492 (364.23456, 2409.6487)(365.23447, 1120.3284)(366.22488, 1119.8401)(346.2245, 961.14) 8 363.2272 363.2272@1.3524492 + 284.1239@1.3472232 1.3472232 (569.2579, 919.57)(285.13138, 4876.214)(286.13458, 1044.2986)(287.1211, 912.99)(267.1228, 1237.285)(307.1175, 908.89) 8 284.1239 284.1239@1.3472232 + 244.2457@1.3450372 1.3450372 (245.25412, 1220.9629)(227.2416, 777.07) 7 244.2457 244.2457@1.3450372 + 412.1748@1.3447992 1.3447992 (413.18298, 2269.945)(414.1877, 1296.2) 2 412.1748 412.1748@1.3447992 + 288.0564@1.3477545 1.3477545 (289.06522, 1700.4268) 3 288.0564 288.0564@1.3477545 + 211.1572@1.348179 1.348179 (445.3021, 893.1)(212.1645, 64146.934)(213.16714, 9996.812)(234.1465, 1091.68) 11 211.1572 211.1572@1.348179 + 364.2822@1.3485054 1.3485054 (365.2895, 11190.51)(366.2967, 5160.86)(382.3161, 168083.55)(383.3195, 35714.92) 1 364.2822 364.2822@1.3485054 + 629.4347@1.3495048 1.3495048 (630.442, 10258.76)(631.4472, 3907.11)(632.4461, 1529.52) 1 629.4347 629.4347@1.3495048 + 625.4837@1.335231 1.335231 (626.4853, 2310.7358)(627.48944, 1381.2301)(628.49756, 2253.0928)(629.4891, 3557.21) 7 625.4837 625.4837@1.335231 + 563.295@1.3525032 1.3525032 (564.3023, 2751.69)(565.3065, 1166.08) 1 563.295 563.295@1.3525032 + 341.17@1.3535025 1.3535025 (342.1773, 4656.77) 1 341.17 341.17@1.3535025 + 568.2504@1.3562881 1.3562881 (569.2574, 2046.9)(570.2629, 984.385) 2 568.2504 568.2504@1.3562881 + 450.3453@1.3702192 1.3702192 (451.35236, 3357.6836)(452.35333, 1662.7314)(473.33243, 1210.3201) 11 450.3453 450.3453@1.3702192 + 553.4547@1.368494 1.368494 (554.462, 9177.86)(555.4659, 2404.47) 1 553.4547 553.4547@1.368494 + 439.3146@1.3663198 1.3663198 (440.3218, 3027.8953)(441.32312, 1564.735) 11 439.3146 439.3146@1.3663198 + N-hexanoyl-L-Homoserine lactone 1.3703777 N-hexanoyl-L-Homoserine lactone [ C10 H17 N O3, mfg=54.43, db=54.42, overall=54.42, CAS ID=147852-83-3, METLIN ID=45094 ] 147852-83-3 (200.12822, 8564.465)(201.12775, 2370.9116)(202.1294, 765.44)(182.11804, 1241.9183)(222.11139, 2029.265) 25 199.1211 N-hexanoyl-L-Homoserine lactone + 134.0944@1.3829017 1.3829017 (135.10144, 5148.2183)(136.11205, 700.315)(117.0914, 7093.72)(152.12733, 4202.8003)(157.08376, 17737.06)(158.08755, 2027.7726)(159.08374, 895.775) 11 134.0944 134.0944@1.3829017 + 241.1681@1.325542 1.325542 (483.3419, 918.13)(242.17567, 6953.689)(243.17563, 1311.7639)(259.20306, 2442.665)(264.15723, 1915.7039) 12 241.1681 241.1681@1.325542 + 398.1554@1.3935055 1.3935055 (399.16547, 3695.5242)(400.17203, 1156.3279)(401.1771, 1083.71) 5 398.1554 398.1554@1.3935055 + 613.4397@1.39348 1.39348 (614.4469, 4967.38) 1 613.4397 613.4397@1.39348 + 395.2845@1.3944793 1.3944793 (396.2918, 3394.28)(397.2967, 1704.54) 1 395.2845 395.2845@1.3944793 + 509.4291@1.3954787 1.3954787 (510.4364, 4981.36)(511.4393, 2347.46) 1 509.4291 509.4291@1.3954787 + 437.2681@1.4600189 1.4600189 (438.27554, 1252.1951)(439.2787, 773.25) 2 437.2681 437.2681@1.4600189 + 436.3299@1.3934634 1.3934634 (437.33755, 3039.53)(438.33997, 1574.7826)(459.3193, 1187.68) 8 436.3299 436.3299@1.3934634 + 581.4497@1.3949937 1.3949937 (582.45605, 1572.04)(583.45984, 1146.715) 3 581.4497 581.4497@1.3949937 + 554.2338@1.397335 1.397335 (555.2416, 2670.5166)(556.24524, 974.40497) 3 554.2338 554.2338@1.397335 + 549.2788@1.4002497 1.4002497 (550.28613, 3323.0)(551.2919, 1225.615) 2 549.2788 549.2788@1.4002497 + 453.448@1.4004759 1.4004759 (454.4553, 1280.94) 1 453.448 453.448@1.4004759 + 695.589@1.4014752 1.4014752 (696.5963, 1936.99)(697.5943, 821.32) 1 695.589 695.589@1.4014752 + 599.4265@1.4024748 1.4024748 (600.4337, 9095.54)(601.44, 3059.03)(617.461, 628.33) 1 599.4265 599.4265@1.4024748 + 187.157@1.3997211 1.3997211 (397.2986, 897.87)(188.16435, 15668.14)(189.16705, 2064.06)(210.146, 2850.7402) 7 187.157 187.157@1.3997211 + 381.2375@1.4058151 1.4058151 (382.24408, 2821.8713)(383.24454, 1343.4532)(364.2328, 1404.21) 7 381.2375 381.2375@1.4058151 + 256.0925@1.4136016 1.4136016 (257.10052, 6379.1953)(258.10522, 1335.5)(259.0944, 1352.98)(260.0969, 616.93) 7 256.0925 256.0925@1.4136016 + 641.5078@1.4044735 1.4044735 (642.5151, 4998.56)(643.5163, 1766.95)(644.5088, 1351.98) 1 641.5078 641.5078@1.4044735 + 481.3972@1.3876266 1.3876266 (482.40466, 6077.3604)(483.40576, 2389.4175) 4 481.3972 481.3972@1.3876266 + 585.4092@1.4114695 1.4114695 (586.4165, 10801.14)(587.4197, 4400.57) 1 585.4092 585.4092@1.4114695 + 556.4428@1.4134685 1.4134685 (557.4504, 2644.01)(558.4584, 1056.48)(579.4317, 1226.88) 1 556.4428 556.4428@1.4134685 + 483.3763@1.417466 1.417466 (484.3836, 18099.01)(485.3874, 5180.76)(486.3864, 1382.15) 1 483.3763 483.3763@1.417466 + 417.3043@1.4214638 1.4214638 (418.3116, 2246.56) 1 417.3043 417.3043@1.4214638 + 707.4497@1.4264609 1.4264609 (708.457, 2989.32)(709.4609, 931.98)(710.4594, 906.61) 1 707.4497 707.4497@1.4264609 + 613.4756@1.4264609 1.4264609 (614.4829, 3761.42)(615.48, 2116.51) 1 613.4756 613.4756@1.4264609 + 236.1621@1.4330848 1.4330848 (473.3275, 1197.01)(237.16898, 14210.231)(238.17162, 2846.0286)(254.1944, 1620.58)(259.1525, 2529.29)(260.1474, 927.36)(261.1425, 1081.05) 9 236.1621 236.1621@1.4330848 + 87.0321@1.4334568 1.4334568 (88.0394, 3264.77) 1 87.0321 87.0321@1.4334568 + 171.051@1.4344561 1.4344561 (172.0583, 4451.28) 1 171.051 171.051@1.4344561 + 453.3662@1.435163 1.435163 (454.37277, 20002.504)(455.3744, 5791.515)(456.37582, 2366.6775)(457.3808, 1109.86) 9 453.3662 453.3662@1.435163 + Otonecine + 1.4471529 1.4471529 C10356 Otonecine [ C9 H15 N O3, mfg=44.96, db=44.92, overall=44.94, CAS ID=6887-34-9, KEGG ID=C10356, METLIN ID=68272 ] 6887-34-9 (186.11269, 10362.868)(187.11253, 1960.8942)(188.10416, 1403.0049)(168.1028, 2508.575) 18 185.1054 Otonecine + 1.4471529 + 687.4778@1.4394534 1.4394534 (688.4851, 4305.46)(689.4898, 1311.17) 1 687.4778 687.4778@1.4394534 + 238.1415@1.4424515 1.4424515 (239.1488, 49704.32)(240.1529, 7331.16)(241.1493, 1964.97) 1 238.1415 238.1415@1.4424515 + 266.1368@1.4444505 1.4444505 (267.1443, 88209.17)(268.1483, 12608.47)(269.1475, 2411.02)(284.1706, 620699.7)(285.1738, 79840.98)(286.1769, 14817.33)(287.1784, 1594.89)(289.1264, 5568.56)(290.1319, 1217.68) 1 266.1368 266.1368@1.4444505 + 781.6421@1.4440262 1.4440262 (782.65027, 1256.958)(783.652, 856.2514)(784.6619, 887.2775) 10 781.6421 781.6421@1.4440262 + 651.5678@1.4464493 1.4464493 (652.5751, 1526.34) 1 651.5678 651.5678@1.4464493 + 693.436@1.4464493 1.4464493 (694.4433, 1876.33)(695.4444, 1024.61) 1 693.436 693.436@1.4464493 + 439.3507@1.4377046 1.4377046 (440.3569, 49749.32)(441.36264, 16113.477)(442.3489, 14674.72)(443.3445, 2960.58)(462.3372, 2384.95)(463.3405, 1051.84) 4 439.3507 439.3507@1.4377046 + 535.2623@1.4553103 1.4553103 (536.2701, 3154.093)(537.27423, 1200.1499) 3 535.2623 535.2623@1.4553103 + 379.1855@1.458312 1.458312 (380.19284, 2578.89)(381.19214, 960.55)(382.1984, 1066.455) 3 379.1855 379.1855@1.458312 + 540.2192@1.4581966 1.4581966 (541.2262, 2373.97)(542.2295, 773.49) 2 540.2192 540.2192@1.4581966 + 208.0952@1.4979203 1.4979203 (209.1014, 12066.915)(210.1116, 2085.87)(191.0909, 15368.3)(192.0958, 2358.78)(231.0843, 17637.66)(232.089, 1749.73) 2 208.0952 208.0952@1.4979203 + 102.0316@1.4594417 1.4594417 (103.0389, 7994.43) 1 102.0316 102.0316@1.4594417 + 280.1521@1.4592642 1.4592642 (578.3337, 610.0)(281.16095, 6276.2104)(282.16797, 1787.1733)(283.16418, 2401.435)(298.18585, 30359.344)(299.189, 5876.671)(303.14307, 1156.6475) 15 280.1521 280.1521@1.4592642 + 571.3941@1.4624399 1.4624399 (572.4014, 4389.98)(573.4036, 2407.78) 1 571.3941 571.3941@1.4624399 + 480.3627@1.4644387 1.4644387 (481.37, 1256.46) 1 480.3627 480.3627@1.4644387 + 408.2979@1.461066 1.461066 (409.3064, 3474.1125)(410.3108, 1928.242)(431.2938, 1888.86) 8 408.2979 408.2979@1.461066 + 497.3926@1.4435586 1.4435586 (498.39914, 20713.191)(499.40082, 6246.942)(500.38565, 2912.492)(501.4011, 900.86) 7 497.3926 497.3926@1.4435586 + 657.4706@1.470435 1.470435 (658.4779, 2959.27)(659.48, 1770.29)(660.4776, 793.68) 1 657.4706 657.4706@1.470435 + 425.3346@1.4684346 1.4684346 (426.34073, 41435.605)(427.3458, 9838.587)(428.33652, 5457.1147)(429.3508, 2563.18) 11 425.3346 425.3346@1.4684346 + C14 H26 N O2 S2 1.4749994 [ C14 H26 N O2 S2, mfg=61.25, overall=61.25 ] (305.14777, 5100.654)(306.15192, 1502.6053)(307.15207, 1202.0654) 21 304.1404 C14 H26 N O2 S2 + 679.4184@1.472434 1.472434 (680.4256, 3325.3)(681.4284, 1454.81) 1 679.4184 679.4184@1.472434 + 673.4628@1.4744328 1.4744328 (674.4701, 4737.06)(675.4742, 2314.49) 1 673.4628 673.4628@1.4744328 + 401.2776@1.5161865 1.5161865 (402.28403, 9029.635)(403.2883, 9876.96)(404.2914, 1990.63)(384.2795, 1396.61)(424.2624, 876.11) 5 401.2776 401.2776@1.5161865 + 595.5008@1.4894239 1.4894239 (596.5081, 3475.63)(597.5102, 1382.56)(598.4884, 790.14) 1 595.5008 595.5008@1.4894239 + 487.2629@1.5024161 1.5024161 (488.2702, 2007.89) 1 487.2629 487.2629@1.5024161 + 629.435@1.5064137 1.5064137 (630.4423, 7556.87)(631.4456, 2345.66)(632.445, 1250.75) 1 629.435 629.435@1.5064137 + 483.3768@1.5017468 1.5017468 (484.38358, 50141.56)(485.38736, 13705.656)(486.3897, 6826.22)(487.3887, 1168.55) 3 483.3768 483.3768@1.5017468 + 625.4768@1.5113935 1.5113935 (626.48334, 1696.3267)(627.487, 902.72675) 3 625.4768 625.4768@1.5113935 + 567.4704@1.5132599 1.5132599 (568.4777, 5696.7534)(569.4815, 1936.1234) 3 567.4704 567.4704@1.5132599 + 292.0922@1.5473462 1.5473462 (293.10004, 4334.0845)(294.10413, 1497.245) 7 292.0922 292.0922@1.5473462 + 521.2478@1.5226351 1.5226351 (522.2545, 4420.5703)(523.25946, 1258.89) 2 521.2478 521.2478@1.5226351 + 526.2024@1.523284 1.523284 (527.2101, 3183.8425)(528.2139, 1154.0133) 4 526.2024 526.2024@1.523284 + 230.0768@1.5333976 1.5333976 (231.0841, 51946.4)(232.0884, 5527.93) 1 230.0768 230.0768@1.5333976 + 410.3149@1.5409608 1.5409608 (411.32224, 2756.894)(412.32364, 1100.8433) 15 410.3149 410.3149@1.5409608 + C36 H31 N2 O 1.5426183 [ C36 H31 N2 O, mfg=72.90, overall=72.90 ] (508.25162, 2116.3174)(509.25613, 817.80505) 18 507.2446 C36 H31 N2 O + 276.0671@1.5353363 1.5353363 (277.07645, 10725.44)(278.08154, 1882.1101)(279.0834, 2081.04) 2 276.0671 276.0671@1.5353363 + 370.1237@1.5485263 1.5485263 (371.1307, 5754.0576)(372.13776, 1209.844)(373.1383, 1014.89) 5 370.1237 370.1237@1.5485263 + 472.3685@1.5433915 1.5433915 (473.3757, 1892.22)(474.376, 1125.9) 1 472.3685 472.3685@1.5433915 + 365.1688@1.5453415 1.5453415 (366.17584, 4832.3325)(367.177, 1528.57)(383.2029, 1225.04) 4 365.1688 365.1688@1.5453415 + 469.3607@1.5391965 1.5391965 (470.36804, 46043.316)(471.3716, 12596.505)(472.36826, 803.995) 6 469.3607 469.3607@1.5391965 + 461.3858@1.556503 1.556503 (462.3932, 5658.0303)(463.3967, 2146.6199)(464.40256, 1023.31006)(444.3829, 2518.9167)(445.3867, 1316.25) 9 461.3858 461.3858@1.556503 + 435.1891@1.5605835 1.5605835 (436.19565, 1961.7767)(437.19382, 867.1533) 6 435.1891 435.1891@1.5605835 + 468.2289@1.5610058 1.5610058 (469.23645, 1573.3726)(470.23914, 1008.61) 4 468.2289 468.2289@1.5610058 + C13 H21 Cl N11 O S 1.561264 [ C13 H21 Cl N11 O S, mfg=47.61, overall=23.81 ] (432.16776, 3235.12) 16 431.161 C13 H21 Cl N11 O S + 471.3669@1.5603812 1.5603812 (472.3742, 14612.07)(473.3761, 2157.7)(474.3734, 1118.38) 1 471.3669 471.3669@1.5603812 + 626.2528@1.5591824 1.5591824 (627.2605, 1563.355)(628.265, 551.78) 2 626.2528 626.2528@1.5591824 + 583.4656@1.4853209 1.4853209 (584.47253, 6408.1816)(585.47656, 1997.6099)(586.4767, 956.98) 5 583.4656 583.4656@1.4853209 + 344.1277@1.5752772 1.5752772 (345.13492, 3059.951)(346.14374, 1131.1858)(347.1378, 2793.2651)(367.1184, 751.93) 10 344.1277 344.1277@1.5752772 + C25 H23 O 1.5719544 [ C25 H23 O, mfg=70.11, overall=70.11 ] (340.17978, 4158.5854)(341.1902, 1277.032)(322.1644, 1477.02) 9 339.172 C25 H23 O + 511.408@1.5723598 1.5723598 (512.4149, 13333.074)(513.41754, 4727.67)(514.4162, 1994.84) 2 511.408 511.408@1.5723598 + 765.5008@1.575372 1.575372 (766.5081, 3261.49)(767.5089, 860.94)(768.5057, 675.7) 1 765.5008 765.5008@1.575372 + 685.5347@1.5763713 1.5763713 (686.542, 3388.11)(687.5454, 1217.66)(688.5424, 600.73) 1 685.5347 685.5347@1.5763713 + 2-Oxo-9-methylthiononanoic acid 1.5723234 C17228 2-Oxo-9-methylthiononanoic acid [ C10 H18 O3 S, mfg=60.14, db=60.01, overall=60.08, CAS ID=, KEGG ID=C17228, METLIN ID=64507 ] (437.1964, 599.62)(454.2232, 621.38)(219.10367, 6796.6714)(220.1031, 1361.69)(201.0951, 1864.35)(236.13069, 12524.208)(237.13889, 2442.67)(241.08626, 6017.633)(242.09413, 1154.5243) 13 218.097 2-Oxo-9-methylthiononanoic acid + 381.1821@1.5783701 1.5783701 (382.1894, 1292.06)(383.2024, 723.87) 1 381.1821 381.1821@1.5783701 + 332.1451@1.5803689 1.5803689 (333.1525, 7264.34)(334.1603, 1302.45)(335.1525, 914.06)(355.1336, 1716.26)(356.1325, 779.66) 1 332.1451 332.1451@1.5803689 + C8 H11 O7 S 1.5961113 [ C8 H11 O7 S, mfg=94.68, overall=94.68 ] (503.0535, 8522.77)(504.0586, 2180.62)(505.0545, 1124.52)(520.0809, 964.54)(525.0346, 4693.08)(526.0387, 779.19)(527.0313, 606.21)(252.03369, 14873.374)(253.03667, 1548.4651)(254.0329, 1053.59) 23 251.0266 C8 H11 O7 S + C14 H35 N4 O S2 1.5849129 [ C14 H35 N4 O S2, mfg=71.94, overall=71.94 ] (340.23282, 4380.6235)(341.23346, 1397.243)(342.2308, 1128.8)(362.2127, 1059.09) 18 339.2257 C14 H35 N4 O S2 + Diethylene glycol 1.6272333 C14689 Diethylene glycol [ C4 H10 O3, mfg=85.97, db=85.97, overall=85.97, CAS ID=111-46-6, KEGG ID=C14689, METLIN ID=70263 ] 111-46-6 (107.07052, 7330.014)(108.0801, 1129.9031)(89.05971, 24232.336)(90.06268, 1592.2767)(124.09646, 11799.977)(125.1008, 1511.1466)(129.05276, 9895.021)(130.0567, 896.97) 28 106.0628 Diethylene glycol + 346.1464@1.5908276 1.5908276 (347.15024, 2478.4033)(348.1581, 1211.46) 3 346.1464 346.1464@1.5908276 + 326.1756@1.5946171 1.5946171 (675.3456, 1844.68)(327.18335, 5594.51)(344.21167, 14756.44)(345.21564, 2603.49)(346.22107, 1139.4233)(349.16513, 5356.306)(350.1761, 2255.0957) 16 326.1756 326.1756@1.5946171 + C18 H41 Cl N3 O2 1.5884329 [ C18 H41 Cl N3 O2, mfg=68.60, overall=68.60 ] (755.5599, 2004.86)(756.5616, 1708.87)(367.29492, 3319.9856)(368.29916, 1200.7554)(369.29504, 782.57996)(389.2739, 1203.79) 25 366.2878 C18 H41 Cl N3 O2 + 314.1853@1.5873647 1.5873647 (315.1887, 1701.04)(297.1824, 8787.83) 1 314.1853 314.1853@1.5873647 + 429.2206@1.5683343 1.5683343 (430.2265, 2593.6262)(431.2219, 1021.81506)(432.2319, 1161.26) 10 429.2206 429.2206@1.5683343 + 2-Fluoroaniline + 1.5872291 1.5872291 C11010 2-Fluoroaniline [ C6 H6 F N, db=81.11, overall=81.11, CAS ID=348-54-9, KEGG ID=C11010, METLIN ID=68769 ] 348-54-9 (112.05626, 27390.057)(113.06062, 2362.3933) 23 111.049 2-Fluoroaniline + 1.5872291 + C6 H10 S 1.587027 [ C6 H10 S, mfg=54.08, overall=54.08 ] (229.1065, 1367.08)(115.05607, 19545.613)(116.054436, 1449.0665)(117.055824, 2707.0942) 20 114.0489 C6 H10 S + Dimethametryn 1.5883565 C18537 Dimethametryn [ C11 H21 N5 S, mfg=61.23, db=61.20, overall=61.21, CAS ID=22936-75-0, KEGG ID=C18537, METLIN ID=72343 ] 22936-75-0 (256.15686, 55791.414)(257.1648, 7563.9893)(273.18164, 1017.825)(278.1401, 2591.16) 20 255.1495 Dimethametryn + 219.1158@1.5884517 1.5884517 (439.2322, 707.56)(220.12302, 16560.791)(237.1493, 1178.63)(242.1053, 1121.27) 19 219.1158 219.1158@1.5884517 + Ferimzone + 1.587867 1.587867 C18579 Ferimzone [ C15 H18 N4, mfg=47.58, db=47.58, overall=47.58, CAS ID=89269-64-7, KEGG ID=C18579, METLIN ID=72381 ] 89269-64-7 (255.16032, 13868.236) 20 254.1527 Ferimzone + 1.587867 + 250.03@1.5917482 1.5917482 (251.03775, 2345.77) 4 250.03 250.03@1.5917482 + Hemigossypol 1.5901996 C09680 Hemigossypol [ C15 H16 O4, mfg=90.90, db=90.91, overall=90.90, KEGG ID=C09680, METLIN ID=41202 ] (261.11185, 37750.92)(262.116, 4390.4395)(263.11713, 1561.2664) 24 260.1045 Hemigossypol + C11 H18 Cl N3 O2 1.590083 [ C11 H18 Cl N3 O2, mfg=47.53, overall=47.53 ] (260.11588, 10897.643)(282.0946, 665.64) 20 259.1083 C11 H18 Cl N3 O2 + 310.163@1.5913621 1.5913621 (311.1705, 37505.05)(312.1743, 6073.91)(313.1726, 2200.65)(328.1968, 706414.7)(329.2001, 107171.35)(330.2017, 18748.44)(331.2045, 2768.52) 1 310.163 310.163@1.5913621 + 282.1683@1.5913621 1.5913621 (283.1756, 17763.12)(284.1793, 3684.63) 1 282.1683 282.1683@1.5913621 + 303.1149@1.5940907 1.5940907 (304.12375, 2456.615) 4 303.1149 303.1149@1.5940907 + 392.1645@1.5925618 1.5925618 (393.17197, 2595.3828)(394.17618, 920.635)(395.16766, 521.64) 7 392.1645 392.1645@1.5925618 + 387.2091@1.5924507 1.5924507 (388.2162, 4974.6074)(389.21512, 1582.5645)(390.21542, 838.3033)(370.2061, 1916.31) 15 387.2091 387.2091@1.5924507 + 497.3921@1.5936996 1.5936996 (498.39963, 36463.68)(499.40125, 10527.92)(500.4054, 8727.27)(501.4082, 526.57) 4 497.3921 497.3921@1.5936996 + 386.213@1.5925659 1.5925659 (387.21988, 3142.4224) 9 386.213 386.213@1.5925659 + 304.1129@1.5953592 1.5953592 (305.12018, 3673.5798)(306.1246, 889.5101)(287.1071, 633.32) 12 304.1129 304.1129@1.5953592 + 192.0906@1.6193079 1.6193079 (193.09816, 10929.527)(194.10263, 1825.5432)(195.098, 1307.63) 12 192.0906 192.0906@1.6193079 + C45 H73 N2 O4 S 1.5881165 [ C45 H73 N2 O4 S, mfg=84.91, overall=84.91 ] (738.53625, 3380.1738)(739.5393, 1851.5555)(740.5412, 1009.91425)(755.56, 6361.468)(756.5634, 3578.8767)(757.5649, 1544.9141)(758.5712, 200.05)(760.5148, 5800.0435)(761.51776, 3296.1875)(762.521, 1251.1849) 23 737.5266 C45 H73 N2 O4 S + 483.3769@1.6164244 1.6164244 (484.3839, 94215.55)(485.38736, 25827.71)(486.3902, 8802.5)(487.3921, 1497.32) 2 483.3769 483.3769@1.6164244 + 731.5014@1.6183454 1.6183454 (732.5087, 1721.46)(733.5154, 687.62) 1 731.5014 731.5014@1.6183454 + 280.1513@1.6281656 1.6281656 (281.15518, 4219.8237)(282.1636, 1797.0) 3 280.1513 280.1513@1.6281656 + 639.5282@1.6192394 1.6192394 (640.53516, 4370.3433)(641.5385, 2055.9434)(642.5282, 739.68) 3 639.5282 639.5282@1.6192394 + 673.4617@1.6243417 1.6243417 (674.4689, 5100.69)(675.4725, 2116.47)(676.4783, 659.02) 1 673.4617 673.4617@1.6243417 + 697.5337@1.6266893 1.6266893 (698.54144, 2574.32)(699.5444, 1132.5901)(700.5596, 598.69) 3 697.5337 697.5337@1.6266893 + 229.0355@1.6337782 1.6337782 (230.04483, 3560.9324)(231.0453, 1095.3049) 4 229.0355 229.0355@1.6337782 + 555.4346@1.6364667 1.6364667 (556.4417, 6489.9785)(557.4433, 2334.736)(558.44257, 1167.172) 8 555.4346 555.4346@1.6364667 + 264.157@1.5773755 1.5773755 (265.1641, 4336.2715)(266.17276, 1058.822)(267.16833, 2437.0552)(247.1531, 1658.78)(282.19113, 11313.346)(283.18954, 2378.685)(287.14706, 2476.5)(288.1493, 1178.88) 6 264.157 264.157@1.5773755 + 469.361@1.6435186 1.6435186 (470.36832, 49673.055)(471.3719, 13498.197)(472.36716, 3404.0981)(473.3762, 2349.81) 8 469.361 469.361@1.6435186 + 397.3028@1.582699 1.582699 (398.3092, 2164.165) 2 397.3028 397.3028@1.582699 + 138.0683@1.6444519 1.6444519 (139.07658, 4490.8794)(156.10196, 20926.99)(157.10222, 2547.5298)(158.0916, 1498.49) 13 138.0683 138.0683@1.6444519 + 252.1212@1.6483268 1.6483268 (253.1284, 23387.72)(275.1105, 7626.3) 1 252.1212 252.1212@1.6483268 + 262.2046@1.6461 1.6461 (263.21194, 2333.7773)(264.2107, 1015.7775)(245.199, 851.43) 12 262.2046 262.2046@1.6461 + 669.5041@1.6549903 1.6549903 (670.51227, 1786.865)(671.51575, 1087.275) 2 669.5041 669.5041@1.6549903 + 611.497@1.6479279 1.6479279 (612.5042, 4946.898)(613.5075, 1894.9684)(614.484, 4975.015)(615.4857, 1112.755)(616.4765, 281.89) 6 611.497 611.497@1.6479279 + 208.0849@1.6546024 1.6546024 (209.09224, 10644.748)(210.09, 1502.2688)(211.0976, 583.45) 10 208.0849 208.0849@1.6546024 + 723.444@1.6543229 1.6543229 (724.4513, 2514.85)(725.453, 1283.92) 1 723.444 723.444@1.6543229 + 417.9686@1.657321 1.657321 (418.9759, 1503.64) 1 417.9686 417.9686@1.657321 + 717.488@1.6583204 1.6583204 (718.4953, 2170.96) 1 717.488 717.488@1.6583204 + C15 H31 N8 O2 1.6656554 [ C15 H31 N8 O2, mfg=88.55, overall=88.55 ] (356.26413, 11585.808)(357.26733, 2466.3076)(358.26468, 843.57404)(338.2567, 895.96)(378.2437, 739.18) 20 355.2568 C15 H31 N8 O2 + 382.2846@1.6673146 1.6673146 (383.2919, 2147.6) 1 382.2846 382.2846@1.6673146 + 413.3017@1.6854385 1.6854385 (414.3092, 3198.145)(415.3148, 845.17) 2 413.3017 413.3017@1.6854385 + 583.4653@1.6843039 1.6843039 (584.4726, 20886.27)(585.4762, 7299.61) 1 583.4653 583.4653@1.6843039 + 260.07@1.6859753 1.6859753 (261.07675, 985.69006) 2 260.07 260.07@1.6859753 + C10 H16 N7 O 1.6903064 [ C10 H16 N7 O, mfg=79.59, overall=79.59 ] (251.14702, 6954.2935)(252.15251, 1137.95)(253.1351, 2286.17)(233.13605, 3952.9036)(234.14536, 988.98004)(268.17563, 13368.095)(269.1776, 2637.8323)(273.13034, 1840.7887)(274.1288, 561.59) 19 250.1413 C10 H16 N7 O + 174.0796@1.6859694 1.6859694 (349.1632, 1039.84)(175.08757, 32316.45)(176.09187, 3874.38) 5 174.0796 174.0796@1.6859694 + 369.1824@1.6952969 1.6952969 (370.1897, 2763.25)(371.1837, 1205.39) 1 369.1824 369.1824@1.6952969 + 252.121@1.6987681 1.6987681 (253.12909, 21899.176)(254.133, 5220.47)(255.132, 1668.92)(235.1196, 12644.31)(270.1549, 106873.35)(271.15845, 13454.516)(272.162, 4987.29)(273.165, 693.68)(275.1104, 13459.65)(276.1168, 1790.68) 2 252.121 252.121@1.6987681 + 102.0324@1.7002938 1.7002938 (103.0397, 2003.72) 1 102.0324 102.0324@1.7002938 + 234.111@1.6993961 1.6993961 (235.11943, 66780.766)(236.1261, 7853.603)(237.12384, 3395.71) 3 234.111 234.111@1.6993961 + 569.4496@1.6175275 1.6175275 (570.4569, 6767.171)(571.4583, 2195.0833)(572.463, 961.46) 9 569.4496 569.4496@1.6175275 + 527.4031@1.7042912 1.7042912 (528.4103, 111246.44)(529.4136, 31657.01)(530.4165, 6973.41)(531.4172, 1363.95) 1 527.4031 527.4031@1.7042912 + 493.216@1.7064496 1.7064496 (494.22266, 3912.4)(495.2265, 1181.87) 2 493.216 493.216@1.7064496 + 192.0901@1.7154547 1.7154547 (402.2097, 597.94)(193.09708, 16051.651)(194.0986, 2970.551)(175.08765, 11297.65)(176.0977, 2343.99) 13 192.0901 192.0901@1.7154547 + 498.171@1.7088614 1.7088614 (499.17874, 3792.7031)(500.18176, 1093.66) 3 498.171 498.171@1.7088614 + 287.2099@1.7130423 1.7130423 (288.21658, 5105.8447)(289.2196, 1306.7981)(310.1994, 2825.1387) 10 287.2099 287.2099@1.7130423 + C9 H8 N5 O5 1.7134951 [ C9 H8 N5 O5, mfg=76.46, overall=76.46 ] (267.0591, 6541.3975)(268.06342, 1061.915)(289.0404, 614.88) 26 266.0516 C9 H8 N5 O5 + 382.2823@1.7172588 1.7172588 (383.2904, 2658.219)(384.29446, 783.1354)(385.2987, 835.23334)(405.27023, 1220.6) 15 382.2823 382.2823@1.7172588 + 372.1031@1.7277263 1.7277263 (373.10983, 2050.4219) 5 372.1031 372.1031@1.7277263 + 555.4342@1.7272766 1.7272766 (556.4415, 21859.72)(557.4453, 7495.31)(558.4435, 2463.74)(578.4228, 659.48) 1 555.4342 555.4342@1.7272766 + 469.2877@1.7312734 1.7312734 (470.29608, 2746.8223)(471.30194, 967.0399)(472.30716, 620.22) 4 469.2877 469.2877@1.7312734 + 731.5037@1.7322733 1.7322733 (732.511, 2268.54) 1 731.5037 731.5037@1.7322733 + 713.5294@1.7489432 1.7489432 (714.5376, 1247.7433)(715.5381, 763.4533)(716.54395, 748.12335) 3 713.5294 713.5294@1.7489432 + C15 H28 N O3 S2 1.7473292 [ C15 H28 N O3 S2, mfg=86.15, overall=86.15 ] (335.15878, 7710.2656)(336.1634, 1862.4385)(337.15594, 1288.845) 25 334.1507 C15 H28 N O3 S2 + C13 H28 N O2 S2 1.745984 [ C13 H28 N O2 S2, mfg=82.13, overall=82.13 ] (295.1649, 15222.626)(296.16934, 3248.2986)(297.16122, 1762.643) 24 294.1577 C13 H28 N O2 S2 + 514.3909@1.7462642 1.7462642 (515.3981, 55087.19)(516.4045, 11968.73)(517.4121, 2168.59) 1 514.3909 514.3909@1.7462642 + 449.2987@1.7438067 1.7438067 (450.30643, 2357.2546)(451.3078, 954.41174)(452.2973, 810.8) 16 449.2987 449.2987@1.7438067 + 296.1472@1.7492623 1.7492623 (297.155, 10409.14)(298.162, 1964.34)(314.1809, 49182.59)(315.1846, 7921.22)(316.1876, 1432.16) 1 296.1472 296.1472@1.7492623 + 230.0698@1.7612622 1.7612622 (231.07762, 8230.679)(232.0812, 1788.5214)(233.08319, 1397.9126)(248.102, 1181.17)(253.05992, 1520.9675) 11 230.0698 230.0698@1.7612622 + 541.4189@1.751739 1.751739 (542.42584, 20965.42)(543.42834, 7496.669)(544.4329, 6034.87)(545.4402, 1192.58) 6 541.4189 541.4189@1.751739 + 717.4881@1.7582564 1.7582564 (718.4954, 2966.11)(719.5014, 1272.78)(720.5005, 762.48) 1 717.4881 717.4881@1.7582564 + 627.4918@1.7456433 1.7456433 (628.4991, 8423.333)(629.5026, 2880.2334)(630.5028, 1273.4651)(650.4803, 934.81) 3 627.4918 627.4918@1.7456433 + C12 H24 N2 O2 1.7766012 [ C12 H24 N2 O2, mfg=63.26, overall=63.26 ] (229.19211, 7984.337)(230.19212, 1502.046)(231.1802, 801.56)(251.17534, 2731.966) 26 228.1844 C12 H24 N2 O2 + 527.4032@1.7798135 1.7798135 (528.4104, 79687.08)(529.4136, 23640.324)(530.4161, 9921.39)(531.4163, 1792.93) 2 527.4032 527.4032@1.7798135 + 741.5599@1.7859895 1.7859895 (742.56726, 2468.275)(743.5698, 1187.285)(744.5795, 354.89) 2 741.5599 741.5599@1.7859895 + 809.5244@1.7872375 1.7872375 (810.5317, 2070.65)(811.539, 970.7) 1 809.5244 809.5244@1.7872375 + 273.1936@1.7957398 1.7957398 (564.4234, 1268.47)(274.20096, 4801.32)(275.2036, 1171.3534)(276.19577, 2283.4365)(296.18185, 2437.8013) 17 273.1936 273.1936@1.7957398 + 368.2665@1.7968937 1.7968937 (369.27396, 2313.17)(370.28088, 822.465) 8 368.2665 368.2665@1.7968937 + 354.1891@1.7982304 1.7982304 (355.1964, 3790.45)(356.2024, 1014.52)(357.1931, 928.99)(377.1783, 1190.29) 1 354.1891 354.1891@1.7982304 + 371.2154@1.7957125 1.7957125 (372.2228, 22589.105)(373.22537, 4784.55)(374.22876, 1832.3461)(375.2314, 1047.18) 10 371.2154 371.2154@1.7957125 + 655.5236@1.8078319 1.8078319 (656.53094, 6200.511)(657.53455, 2634.3542)(658.5198, 2459.0266)(659.5133, 1703.83)(660.5171, 583.64) 7 655.5236 655.5236@1.8078319 + 514.3908@1.81422 1.81422 (515.3981, 81271.2)(516.4032, 17956.93)(517.412, 3460.69)(518.4086, 781.76) 1 514.3908 514.3908@1.81422 + 149.0476@1.8289567 1.8289567 (316.1248, 844.6)(321.0846, 628.61)(150.05504, 10245.994)(151.05748, 1355.9156)(132.0444, 705.67) 14 149.0476 149.0476@1.8289567 + 641.5076@1.8242133 1.8242133 (642.5148, 6399.74)(643.5181, 1965.49)(644.5102, 1027.67) 1 641.5076 641.5076@1.8242133 + 272.0873@1.8275383 1.8275383 (273.09537, 2989.4827)(274.10245, 711.8367) 8 272.0873 272.0873@1.8275383 + 572.4321@1.8272113 1.8272113 (573.4394, 3009.5)(574.4423, 1102.65) 1 572.4321 572.4321@1.8272113 + 385.2318@1.8293002 1.8293002 (386.23914, 6656.685)(387.24185, 1520.096) 16 385.2318 385.2318@1.8293002 + 296.1475@1.82921 1.82921 (297.1554, 7086.57)(298.1618, 1490.31)(314.1808, 10987.04)(315.1848, 2488.43) 1 296.1475 296.1475@1.82921 + 455.2724@1.8326544 1.8326544 (456.2806, 2025.89)(457.2838, 866.01) 6 455.2724 455.2724@1.8326544 + 205.1314@1.8344332 1.8344332 (428.2975, 765.83)(206.13864, 18178.004)(207.14351, 2805.2573)(208.13425, 1250.175)(228.1214, 3205.415) 5 205.1314 205.1314@1.8344332 + 242.0769@1.8251342 1.8251342 (243.0849, 8456.38)(244.09296, 1105.12)(245.0944, 852.12)(265.0694, 4015.86) 6 242.0769 242.0769@1.8251342 + 427.2782@1.8422015 1.8422015 (428.2855, 6559.76)(429.2913, 1975.02) 1 427.2782 427.2782@1.8422015 + 387.0131@1.845999 1.845999 (388.0208, 1513.56) 2 387.0131 387.0131@1.845999 + 627.4919@1.850196 1.850196 (628.4991, 20277.54)(629.5022, 8384.86)(630.5038, 1819.14)(650.4821, 1175.36) 1 627.4919 627.4919@1.850196 + 320.9537@1.8605814 1.8605814 (321.9611, 3466.0369)(322.9627, 1017.92) 3 320.9537 320.9537@1.8605814 + 727.5811@1.8439763 1.8439763 (728.58826, 5425.21)(729.5918, 2831.685)(730.5839, 454.19) 2 727.5811 727.5811@1.8439763 + 585.4448@1.8671848 1.8671848 (586.4521, 57042.39)(587.4555, 18573.47)(588.4583, 4848.66) 1 585.4448 585.4448@1.8671848 + C25 H39 N2 S 1.8773975 [ C25 H39 N2 S, mfg=86.04, overall=86.04 ] (400.2903, 6326.229)(401.2929, 1645.3292)(402.29736, 757.23663) 26 399.283 C25 H39 N2 S + Arg Arg Met 1.867821 Arg Arg Met [ C17 H35 N9 O4 S, db=78.56, overall=78.56, METLIN ID=18689 ] (940.541, 3065.2915)(941.5442, 1696.2441)(942.5446, 951.56396) 19 939.5338 Arg Arg Met + 130.049@1.8820833 1.8820833 (131.05652, 2884.0674)(132.0654, 570.4) 18 130.049 130.049@1.8820833 + 510.9357@1.8792197 1.8792197 (511.94272, 1636.2333)(512.9429, 807.115) 3 510.9357 510.9357@1.8792197 + 327.2254@1.8814747 1.8814747 (328.23227, 4173.3696)(329.23566, 1054.772)(330.2408, 621.05) 16 327.2254 327.2254@1.8814747 + 761.5135@1.8801761 1.8801761 (762.5207, 1955.94)(763.5253, 928.02) 1 761.5135 761.5135@1.8801761 + 425.0255@1.8844961 1.8844961 (426.03314, 2459.159)(427.0351, 877.1987) 10 425.0255 425.0255@1.8844961 + 437.9947@1.8820764 1.8820764 (439.0016, 1586.6924) 4 437.9947 437.9947@1.8820764 + C14 H5 N O3 S2 1.8840283 [ C14 H5 N O3 S2, mfg=84.86, overall=84.86 ] (299.97903, 13103.174)(300.98053, 2653.9883)(301.98022, 862.9965)(321.96133, 3971.0552)(322.96243, 869.6099) 34 298.9716 C14 H5 N O3 S2 + 471.0311@1.8943319 1.8943319 (472.03845, 2177.955)(473.03986, 891.096) 8 471.0311 471.0311@1.8943319 + 361.9816@1.8841482 1.8841482 (362.98862, 2164.7385)(363.9879, 729.54) 7 361.9816 361.9816@1.8841482 + 329.1304@1.9464681 1.9464681 (330.14044, 1915.74) 2 329.1304 329.1304@1.9464681 + D-Leucic acid 1.9006482 C03264 D-Leucic acid [ C6 H12 O3, mfg=67.86, db=67.85, overall=67.86, CAS ID=20312-37-2, Lipid ID=LMFA01050402, KEGG ID=C03264, HMP ID=HMDB00624, METLIN ID=5597 ] 20312-37-2 (133.08595, 10107.414)(134.0901, 1177.5815)(135.07985, 914.4249) 23 132.0787 D-Leucic acid HMDB00624 + LMFA01050402 88.0529@1.91764 1.91764 (177.11198, 10341.88)(178.11887, 1299.6725)(179.1163, 525.22)(89.06027, 10088.008)(90.063774, 749.1567) 4 88.0529 88.0529@1.91764 + 259.178@1.9044304 1.9044304 (541.3436, 552.63)(260.18533, 7757.599)(261.18826, 1484.9507)(262.1812, 788.874)(282.16672, 2966.6738)(283.1744, 1690.36) 14 259.178 259.178@1.9044304 + 258.0649@1.912546 1.912546 (259.07056, 1162.0499) 2 258.0649 258.0649@1.912546 + C9 H20 N5 O 1.9040866 [ C9 H20 N5 O, mfg=47.05, overall=47.05 ] (215.1758, 4736.509)(216.17781, 1063.8801)(217.17, 1107.1833)(237.15637, 1569.4275) 27 214.1683 C9 H20 N5 O + 528.1993@1.9059322 1.9059322 (529.2062, 1574.0823)(530.2085, 901.28) 13 528.1993 528.1993@1.9059322 + 415.2596@1.9122896 1.9122896 (416.26663, 10195.831)(417.2693, 2750.3572)(418.27707, 2653.133)(419.2788, 597.73) 17 415.2596 415.2596@1.9122896 + 572.4323@1.9101559 1.9101559 (573.4395, 25823.35)(574.4424, 6293.63)(575.447, 1292.7) 1 572.4323 572.4323@1.9101559 + 699.5495@1.9004117 1.9004117 (700.5569, 7105.547)(701.5601, 3358.0364)(702.55316, 963.555) 3 699.5495 699.5495@1.9004117 + 340.1041@1.9247781 1.9247781 (341.11172, 3728.9983) 6 340.1041 340.1041@1.9247781 + 481.3069@1.9341396 1.9341396 (482.3142, 2362.56)(483.3196, 950.3) 1 481.3069 481.3069@1.9341396 + 585.445@1.935073 1.935073 (586.45197, 32418.713)(587.45496, 10959.376)(588.4579, 6873.02)(589.4586, 1013.56) 3 585.445 585.445@1.935073 + 427.278@1.9371376 1.9371376 (428.2853, 4941.11)(429.2894, 964.84)(430.2703, 769.08) 1 427.278 427.278@1.9371376 + N-Methyl-2-pyrrolidinone 1.9363258 C11118 N-Methyl-2-pyrrolidinone [ C5 H9 N O, mfg=99.88, db=99.88, overall=99.88, CAS ID=872-50-4, KEGG ID=C11118, METLIN ID=68859 ] 872-50-4 (216.1723, 983.15)(100.07572, 386161.56)(101.078995, 22584.543)(102.0839, 1753.4889) 21 99.0684 N-Methyl-2-pyrrolidinone + 268.1524@1.944696 1.944696 (269.16, 2495.1914)(270.1622, 1211.752)(271.15305, 1266.96)(286.18597, 7478.0615)(287.18756, 1490.1493)(288.18243, 919.31396)(291.139, 1089.14) 16 268.1524 268.1524@1.944696 + 441.2577@1.9591228 1.9591228 (442.2649, 2188.96)(443.2682, 1215.5)(444.2657, 1911.33) 1 441.2577 441.2577@1.9591228 + 278.1378@1.9681165 1.9681165 (279.145, 8111.24)(280.1526, 797.93) 1 278.1378 278.1378@1.9681165 + 313.1777@1.9809434 1.9809434 (314.18497, 9499.377)(315.1861, 1723.1199)(316.18555, 1231.0874) 10 313.1777 313.1777@1.9809434 + 572.4326@1.9711145 1.9711145 (573.4399, 37699.93)(574.4422, 7787.75)(575.4447, 1614.12) 1 572.4326 572.4326@1.9711145 + 133.0742@1.9811077 1.9811077 (134.0815, 10393.05) 1 133.0742 133.0742@1.9811077 + 289.0639@1.9861042 1.9861042 (290.0716, 988.16)(307.0986, 1113.03)(312.0516, 844.73) 1 289.0639 289.0639@1.9861042 + 286.0952@1.9945387 1.9945387 (287.10248, 4636.2485)(288.1068, 1342.3025) 13 286.0952 286.0952@1.9945387 + 493.3261@2.0016925 2.0016925 (494.33307, 1998.9666)(495.336, 1073.814) 9 493.3261 493.3261@2.0016925 + 242.0773@2.0000947 2.0000947 (243.0846, 2806.56)(244.0883, 773.42) 1 242.0773 242.0773@2.0000947 + 557.4138@2.001452 2.001452 (558.4211, 74814.26)(559.42456, 23321.541)(560.4164, 733.2) 3 557.4138 557.4138@2.001452 + 357.1995@2.0100877 2.0100877 (358.2068, 16216.07)(359.206, 2910.67) 1 357.1995 357.1995@2.0100877 + 478.0817@2.0218241 2.0218241 (479.08896, 8260.319)(480.0916, 1833.7189)(481.0952, 668.17) 12 478.0817 478.0817@2.0218241 + 152.0333@2.018178 2.018178 (327.0564, 3251.067)(328.0588, 804.7767)(153.0406, 83128.195)(154.04718, 5598.696)(155.04813, 1143.9417)(175.02249, 7616.612)(176.02675, 966.97003) 18 152.0333 152.0333@2.018178 + 630.1155@2.0194001 2.0194001 (631.1228, 85142.02)(632.12494, 23302.775)(633.1271, 4721.7793)(634.13055, 906.5918) 18 630.1155 630.1155@2.0194001 + 274.1391@2.0863335 2.0863335 (275.14728, 43972.918)(276.15002, 6000.055) 2 274.1391 274.1391@2.0863335 + 296.1832@2.0489159 2.0489159 (297.19067, 4015.5044)(298.19052, 1184.0186)(299.19092, 920.8233)(314.21686, 43427.625)(315.2204, 6743.9414)(316.22205, 1500.4689) 21 296.1832 296.1832@2.0489159 + 671.518@1.9807191 1.9807191 (672.52515, 11428.851)(673.5288, 1419.71) 2 671.518 671.518@1.9807191 + 673.5222@2.0590537 2.0590537 (674.5295, 1907.61)(675.5324, 677.84) 1 673.5222 673.5222@2.0590537 + 415.2415@2.057656 2.057656 (848.5169, 1011.82)(849.5179, 466.53)(850.5192, 819.01)(416.24884, 14753.286)(417.25272, 3127.0122)(418.2545, 1370.6525) 10 415.2415 415.2415@2.057656 + 214.168@2.075536 2.075536 (215.17531, 4152.5713)(216.17924, 801.49664) 7 214.168 214.168@2.075536 + 471.3036@2.0770414 2.0770414 (472.3109, 6693.47)(473.3153, 1860.89)(474.3097, 929.38) 1 471.3036 471.3036@2.0770414 + 429.2596@2.0980265 2.0980265 (430.2669, 4027.68)(431.2683, 935.26) 1 429.2596 429.2596@2.0980265 + 188.1158@2.1060212 2.1060212 (189.1231, 13833.05)(190.1263, 1998.3)(191.1167, 726.58) 1 188.1158 188.1158@2.1060212 + 386.2706@2.129875 2.129875 (387.27765, 4146.725) 2 386.2706 386.2706@2.129875 + 224.9918@2.1330225 2.1330225 (225.99901, 8403.066)(227.00171, 1292.804)(227.99539, 1390.595) 6 224.9918 224.9918@2.1330225 + 629.471@2.151001 2.151001 (630.47864, 14130.753)(631.48224, 5353.026)(632.4851, 5359.35)(633.4888, 1028.87) 5 629.471 629.471@2.151001 + 376.1157@2.1620486 2.1620486 (377.1232, 2741.0498)(378.13052, 1119.0734)(359.11172, 6475.7837)(360.11655, 1114.6324) 13 376.1157 376.1157@2.1620486 + C13 H19 N11 O6 S 2.162034 [ C13 H19 N11 O6 S, mfg=93.55, overall=93.55 ] (458.13037, 16594.676)(459.13287, 3724.3955)(460.13217, 1530.6809) 18 457.1233 C13 H19 N11 O6 S + 335.1262@2.1589305 2.1589305 (336.13428, 2055.77)(353.15988, 17518.451)(358.1169, 2001.9233) 8 335.1262 335.1262@2.1589305 + 519.1412@2.158373 2.158373 (520.1509, 1082.528)(502.13794, 4860.6626)(503.1405, 1262.2574)(504.14, 773.84) 5 519.1412 519.1412@2.158373 + 407.053@2.1597986 2.1597986 (408.06012, 1904.6251) 8 407.053 407.053@2.1597986 + 518.1439@2.1615062 2.1615062 (519.1534, 824.92334)(501.1406, 4008.3066) 3 518.1439 518.1439@2.1615062 + 383.1598@2.1525216 2.1525216 (384.16644, 2771.8362)(385.1761, 1095.625) 5 383.1598 383.1598@2.1525216 + C13 H25 N4 O10 2.1659856 [ C13 H25 N4 O10, mfg=96.00, overall=48.00 ] (398.16388, 7933.697)(399.16776, 1572.6282)(400.16873, 1054.7925)(380.15295, 22779.623)(381.15616, 3848.4683)(382.15924, 1285.571)(415.1887, 952.49) 28 397.1565 C13 H25 N4 O10 + 396.1597@2.1611571 2.1611571 (397.167, 5295.065)(379.15634, 12803.645) 12 396.1597 396.1597@2.1611571 + 207.0918@2.1646633 2.1646633 (208.099, 6037.4253)(209.0998, 1251.17)(190.08624, 1265.635) 10 207.0918 207.0918@2.1646633 + 268.1139@2.1677113 2.1677113 (269.1209, 3351.6548)(286.1448, 1278.41) 2 268.1139 268.1139@2.1677113 + 471.3043@2.1729739 2.1729739 (472.3115, 4552.1)(473.3152, 1312.01)(474.2997, 740.79) 1 471.3043 471.3043@2.1729739 + 615.4556@2.185933 2.185933 (616.4627, 44359.184)(617.46606, 14683.585)(618.4685, 6657.12)(619.4718, 841.01) 2 615.4556 615.4556@2.185933 + C22 H30 Cl 2.185363 [ C22 H30 Cl, mfg=84.15, overall=84.15 ] (330.21164, 3558.4563)(331.21436, 1008.19507)(332.2099, 1094.145) 19 329.2045 C22 H30 Cl + 839.5285@2.1899617 2.1899617 (840.5358, 1131.16)(841.538, 861.65) 1 839.5285 839.5285@2.1899617 + 459.2858@2.2104244 2.2104244 (460.29315, 14825.3545)(461.296, 4059.2393)(462.30182, 2490.637)(463.2997, 620.93) 16 459.2858 459.2858@2.2104244 + 427.2777@2.2199402 2.2199402 (428.285, 2683.63)(429.2878, 1005.57) 1 427.2777 427.2777@2.2199402 + 250.04@2.2219388 2.2219388 (251.0472, 1705.06) 1 250.04 250.04@2.2219388 + 601.4399@2.2290885 2.2290885 (602.447, 22423.969)(603.4507, 8146.9214)(604.4518, 3743.3125)(605.4559, 2189.55) 9 601.4399 601.4399@2.2290885 + 645.4476@2.2319317 2.2319317 (646.4549, 3856.85)(647.4592, 1330.14) 1 645.4476 645.4476@2.2319317 + 335.2667@2.2509181 2.2509181 (336.274, 1654.93) 1 335.2667 335.2667@2.2509181 + 334.88@2.2315369 2.2315369 (335.88718, 1218.0233) 6 334.88 334.88@2.2315369 + 715.5444@2.2526827 2.2526827 (716.55206, 6895.09)(717.55566, 3265.14)(718.5505, 2095.3599)(719.5467, 836.27)(720.5547, 640.93) 2 715.5444 715.5444@2.2526827 + 329.2043@2.2817461 2.2817461 (330.2114, 3152.1008)(331.21378, 959.0871) 11 329.2043 329.2043@2.2817461 + 387.1893@2.2850177 2.2850177 (388.19678, 3131.2505)(389.1987, 901.76697)(370.18683, 3398.1624)(371.18906, 888.4733) 19 387.1893 387.1893@2.2850177 + 202.1006@2.2858927 2.2858927 (203.1078, 7589.25)(204.1062, 1081.62) 1 202.1006 202.1006@2.2858927 + 220.1311@2.2868922 2.2868922 (221.1384, 5597.2)(222.1472, 1162.68) 1 220.1311 220.1311@2.2868922 + 263.1417@2.2874732 2.2874732 (264.14923, 1688.7156)(246.13837, 10038.946)(281.17535, 4501.257)(286.1271, 989.56) 11 263.1417 263.1417@2.2874732 + 5,6-Indolequinone-2-carboxylic acid 2.2974086 C17938 5,6-Indolequinone-2-carboxylic acid [ C9 H5 N O4, mfg=47.61, db=84.72, overall=66.16, CAS ID=, KEGG ID=C17938, METLIN ID=63501 ] (209.05563, 17208.137)(210.0598, 1950.6329)(191.04573, 1288.237) 28 208.0483 5,6-Indolequinone-2-carboxylic acid + 351.168@2.2923007 2.2923007 (352.17572, 2886.7)(353.1825, 791.67505) 2 351.168 351.168@2.2923007 + 1-Methoxypyrene-6,7-oxide 2.3022802 C18262 1-Methoxypyrene-6,7-oxide [ C17 H12 O2, mfg=46.02, db=71.15, overall=58.58, KEGG ID=C18262, METLIN ID=72106 ] (271.0736, 2263.529)(272.07718, 624.42) 12 270.0661 1-Methoxypyrene-6,7-oxide + 1,2-Diamino-4-nitrobenzene 2.2973633 C19384 1,2-Diamino-4-nitrobenzene [ C6 H7 N3 O2, db=47.07, overall=47.07, CAS ID=99-56-9, KEGG ID=C19384, METLIN ID=73087 ] 99-56-9 (154.06082, 7852.7417)(155.0721, 3166.31)(156.0614, 2259.18) 14 153.0536 1,2-Diamino-4-nitrobenzene + 401.2257@2.3188689 2.3188689 (402.233, 6820.34)(403.2368, 1761.21) 1 401.2257 401.2257@2.3188689 + 515.3306@2.340853 2.340853 (516.3379, 4547.72)(517.34, 1761.81)(518.3445, 658.85) 1 515.3306 515.3306@2.340853 + 687.5124@2.344793 2.344793 (688.5197, 3750.066)(689.52374, 1578.0433) 7 687.5124 687.5124@2.344793 + 459.2676@2.3468037 2.3468037 (460.27484, 11270.503)(461.27844, 2399.01)(462.2787, 1148.01) 8 459.2676 459.2676@2.3468037 + 357.2031@2.3688326 2.3688326 (358.2104, 14278.24)(359.209, 2976.92)(360.2124, 929.01) 1 357.2031 357.2031@2.3688326 + 815.6329@2.3824825 2.3824825 (816.6399, 7138.625)(817.6437, 3504.5352)(818.6454, 1270.24) 2 815.6329 815.6329@2.3824825 + 673.4973@2.4167976 2.4167976 (674.5046, 20364.73)(675.5077, 8520.59) 1 673.4973 673.4973@2.4167976 + 307.2358@2.4197955 2.4197955 (308.2431, 3317.88)(309.2343, 882.24) 1 307.2358 307.2358@2.4197955 + 429.2932@2.4169607 2.4169607 (430.3005, 4311.24)(431.30408, 1124.33)(452.2824, 733.91) 4 429.2932 429.2932@2.4169607 + C4 H4 N2 O 2.4499488 [ C4 H4 N2 O, mfg=96.90, overall=96.90 ] (97.0396, 46941.527)(98.042496, 2652.9285)(99.050705, 863.025) 22 96.0323 C4 H4 N2 O + 659.4818@2.4572365 2.4572365 (660.4885, 13805.725)(661.4911, 5767.98)(662.4955, 2475.34)(663.4987, 600.58) 2 659.4818 659.4818@2.4572365 + 675.5037@2.4567683 2.4567683 (676.511, 2377.42) 1 675.5037 675.5037@2.4567683 + 815.6325@2.4687595 2.4687595 (816.6398, 5576.24)(817.6433, 3024.35)(818.6422, 1105.29) 1 815.6325 815.6325@2.4687595 + 61.0524@2.4982994 2.4982994 (62.05965, 5535.925) 2 61.0524 61.0524@2.4982994 + 104.0583@2.497897 2.497897 (105.06559, 12348.732)(106.06855, 721.15)(87.055, 1508.08)(127.0466, 829.7) 5 104.0583 104.0583@2.497897 + 659.4817@2.5107286 2.5107286 (660.489, 27819.64)(661.4919, 10622.61)(662.4953, 2833.52) 1 659.4817 659.4817@2.5107286 + 316.1317@2.5182118 2.5182118 (317.13913, 8058.934) 14 316.1317 316.1317@2.5182118 + 309.0496@2.5433304 2.5433304 (310.05695, 2839.685)(311.06064, 621.51) 4 309.0496 309.0496@2.5433304 + 645.4659@2.5350757 2.5350757 (646.4733, 12574.913)(647.4771, 4679.292) 5 645.4659 645.4659@2.5350757 + 503.312@2.5566945 2.5566945 (504.3193, 11393.19)(505.3215, 3644.04) 1 503.312 503.312@2.5566945 + 152.0584@2.5641458 2.5641458 (153.06573, 135667.7)(154.0687, 11156.559)(155.07278, 1297.0881) 12 152.0584 152.0584@2.5641458 + 181.0951@2.5741196 2.5741196 (182.10258, 7294.2227)(183.10425, 1224.4266)(184.09961, 589.1533) 19 181.0951 181.0951@2.5741196 + 267.1127@2.5858545 2.5858545 (268.11993, 7796.999)(269.12558, 1152.7758)(270.1267, 836.98) 16 267.1127 267.1127@2.5858545 + 770.5474@2.7248209 2.7248209 (771.55536, 3261.6467)(772.5594, 1639.2999) 3 770.5474 770.5474@2.7248209 + 597.4242@2.6737275 2.6737275 (598.4313, 2485.768)(599.4338, 1221.0339) 5 597.4242 597.4242@2.6737275 + 355.9334@2.7460823 2.7460823 (356.94092, 2753.945)(373.96802, 1798.3925) 6 355.9334 355.9334@2.7460823 + 415.1271@2.7244549 2.7244549 (416.13495, 3058.4138) 5 415.1271 415.1271@2.7244549 + 300.0632@2.7249336 2.7249336 (301.07147, 15910.56)(323.0509, 1135.33) 3 300.0632 300.0632@2.7249336 + 559.3567@2.7185738 2.7185738 (560.3639, 4679.32)(561.3674, 1293.91)(562.3674, 701.79) 1 559.3567 559.3567@2.7185738 + 480.1262@2.7120044 2.7120044 (481.13345, 5302.4497)(482.13977, 1310.82)(503.1169, 727.35) 3 480.1262 480.1262@2.7120044 + 506.1555@2.7471237 2.7471237 (507.16287, 16128.353)(508.16605, 4112.7183)(509.16852, 1293.8491) 18 506.1555 506.1555@2.7471237 + 731.5396@2.7275672 2.7275672 (732.5469, 5780.39)(733.5493, 2703.94) 1 731.5396 731.5396@2.7275672 + 503.294@2.7312844 2.7312844 (504.30164, 9437.012)(505.30478, 2417.9382)(506.3119, 1941.51) 6 503.294 503.294@2.7312844 + 382.1085@2.7787533 2.7787533 (383.11566, 79798.414)(384.1191, 10588.805)(385.12003, 3257.5225) 8 382.1085 382.1085@2.7787533 + 362.2093@2.7980185 2.7980185 (363.21637, 4197.86)(364.22192, 1307.43) 11 362.2093 362.2093@2.7980185 + 229.9816@2.7565453 2.7565453 (230.9889, 1550.74) 1 229.9816 229.9816@2.7565453 + 717.5233@2.7575448 2.7575448 (718.5305, 15935.53)(719.5347, 6411.99) 1 717.5233 717.5233@2.7575448 + 445.2524@2.7615416 2.7615416 (446.2596, 5788.07)(447.2696, 1697.1)(448.2662, 695.92) 1 445.2524 445.2524@2.7615416 + 385.1391@2.757821 2.757821 (386.14627, 81897.195)(387.14996, 12067.326)(388.15134, 3213.5164)(389.15463, 648.98334) 11 385.1391 385.1391@2.757821 + 384.1423@2.7836628 2.7836628 (385.14948, 28639.613) 10 384.1423 384.1423@2.7836628 + 84.0209@2.7788131 2.7788131 (85.0283, 21633.102)(86.031784, 2001.516) 6 84.0209 84.0209@2.7788131 + 859.6591@2.7675095 2.7675095 (860.6662, 7632.647)(861.66986, 3868.26)(862.67114, 1358.9) 3 859.6591 859.6591@2.7675095 + 415.0954@2.7862225 2.7862225 (416.10275, 1898.865) 4 415.0954 415.0954@2.7862225 + 88.0525@2.7885213 2.7885213 (177.112, 7791.72)(178.1187, 2065.19)(179.1167, 507.28)(89.0599, 2618.29) 1 88.0525 88.0525@2.7885213 + C38 H31 2.792368 [ C38 H31, mfg=66.27, overall=66.27 ] (488.25098, 2382.0059)(489.25626, 1010.88007) 10 487.244 C38 H31 + 343.2029@2.7915618 2.7915618 (344.21298, 15444.574)(345.21512, 2340.49)(346.2178, 1087.73)(326.1983, 3866.42)(327.20404, 970.18)(328.1983, 1138.5049) 3 343.2029 343.2029@2.7915618 + 342.205@2.789239 2.789239 (343.21246, 5409.8047) 2 342.205 342.205@2.789239 + 719.5306@2.795516 2.795516 (720.5379, 2277.45)(721.5372, 758.06) 1 719.5306 719.5306@2.795516 + 360.1322@2.8173244 2.8173244 (361.13937, 3048.4944)(362.14343, 1000.5954) 16 360.1322 360.1322@2.8173244 + 505.2529@2.8145018 2.8145018 (506.2602, 1562.54) 1 505.2529 505.2529@2.8145018 + 401.262@2.8135748 2.8135748 (402.26895, 4151.4927)(403.2716, 1052.01)(404.2619, 977.96) 11 401.262 401.262@2.8135748 + 349.0221@2.8748507 2.8748507 (350.0291, 1463.375)(372.0119, 616.92) 2 349.0221 349.0221@2.8748507 + 496.17@2.8270075 2.8270075 (497.17752, 5640.7314)(498.18057, 1890.7235)(499.1844, 1118.81) 13 496.17 496.17@2.8270075 + 153.0095@2.823176 2.823176 (307.02637, 1773.0901)(154.0166, 2934.08)(175.99893, 1233.1901) 4 153.0095 153.0095@2.823176 + 633.0696@2.8621902 2.8621902 (634.0774, 1497.0967)(635.0777, 785.78) 3 633.0696 633.0696@2.8621902 + 333.9986@2.8342888 2.8342888 (335.00583, 5860.3755)(336.0135, 4995.28)(337.0063, 3419.02)(338.0102, 505.7) 11 333.9986 333.9986@2.8342888 + 381.9905@2.831489 2.831489 (382.9976, 1904.08)(383.9985, 588.97)(404.9802, 756.81) 1 381.9905 381.9905@2.831489 + 401.2259@2.831489 2.831489 (402.2332, 10890.86)(403.2375, 2675.79)(404.2424, 1362.63) 1 401.2259 401.2259@2.831489 + 504.1513@2.8433657 2.8433657 (505.15854, 52504.01)(506.16153, 11966.143)(507.16287, 3151.015)(508.1654, 692.5867)(527.14075, 5591.001)(528.1442, 1770.5323)(529.1479, 1081.22) 18 504.1513 504.1513@2.8433657 + 503.1543@2.846931 2.846931 (504.16177, 14320.126)(526.1437, 1975.9371) 15 503.1543 503.1543@2.846931 + 409.0434@2.8398294 2.8398294 (410.05063, 20287.6)(411.05276, 5244.337)(412.04254, 2973.8027)(413.03674, 760.0166)(432.0327, 2935.275) 9 409.0434 409.0434@2.8398294 + 338.0838@2.8447158 2.8447158 (339.091, 14842.988)(340.09467, 2155.407)(341.09952, 744.5467) 15 338.0838 338.0838@2.8447158 + 437.2989@2.835486 2.835486 (438.3061, 2288.96) 1 437.2989 437.2989@2.835486 + C25 H14 O2 2.8650408 [ C25 H14 O2, mfg=70.35, overall=70.35 ] (693.2083, 1276.1)(347.10593, 3374.1748)(348.11148, 1177.7123) 18 346.0984 C25 H14 O2 + 415.2778@2.8535237 2.8535237 (416.28476, 4482.152)(417.289, 1141.9457)(418.2863, 715.16) 11 415.2778 415.2778@2.8535237 + Faropenem + 2.889555 2.889555 C13310 Faropenem [ C12 H15 N O5 S, mfg=73.76, db=73.74, overall=73.75, CAS ID=122547-49-3, KEGG ID=C13310, METLIN ID=69558 ] 122547-49-3 (286.07443, 4731.9897)(287.07944, 988.15643)(288.0723, 890.99664)(303.1039, 781.96)(308.0563, 1049.02) 18 285.0667 Faropenem + 2.889555 + 370.1171@2.8704598 2.8704598 (371.1223, 956.99)(388.1514, 3120.9)(389.1561, 634.18) 1 370.1171 370.1171@2.8704598 + 241.0972@2.8799913 2.8799913 (242.10452, 35069.363)(243.10883, 3381.9668)(244.11, 1214.4155)(224.09392, 13711.106)(225.09995, 1403.4979)(226.09254, 802.73) 20 241.0972 241.0972@2.8799913 + 559.3571@2.871459 2.871459 (560.3644, 3648.65)(561.3677, 1021.06) 1 559.3571 559.3571@2.871459 + 703.5081@2.8724585 2.8724585 (704.5154, 22047.86)(705.5189, 9438.62)(706.5219, 2619.6) 1 703.5081 703.5081@2.8724585 + 379.2929@2.8734577 2.8734577 (380.3002, 4349.57)(381.3024, 1341.47)(382.3047, 750.2) 1 379.2929 379.2929@2.8734577 + 831.6277@2.900542 2.900542 (832.6351, 9270.677)(833.63855, 4735.832)(834.6397, 1609.7227)(835.6407, 257.81) 5 831.6277 831.6277@2.900542 + 319.0114@2.897273 2.897273 (656.061, 758.09)(320.01785, 1396.345) 2 319.0114 319.0114@2.897273 + 148.0845@2.90776 2.90776 (149.0917, 8164.8203)(150.0933, 1019.07)(131.0817, 1541.23) 2 148.0845 148.0845@2.90776 + 80.0264@2.8626285 2.8626285 (81.03367, 2193.2915) 7 80.0264 80.0264@2.8626285 + 126.0315@2.8877444 2.8877444 (127.03889, 26395.416)(128.04211, 2131.9106)(129.03773, 859.714)(109.028465, 10502.81)(110.032, 768.83997)(111.0186, 796.52)(144.06583, 2941.3074) 18 126.0315 126.0315@2.8877444 + 423.2829@2.9374096 2.9374096 (424.2902, 2238.09) 1 423.2829 423.2829@2.9374096 + 383.1119@2.9196262 2.9196262 (384.1192, 12192.447)(385.12018, 3153.93) 5 383.1119 383.1119@2.9196262 + 260.004@2.943711 2.943711 (261.01102, 1419.5433) 3 260.004 260.004@2.943711 + 756.2132@2.9735305 2.9735305 (757.22186, 1395.1234) 3 756.2132 756.2132@2.9735305 + 689.4921@2.979801 2.979801 (690.4997, 14422.602)(691.504, 8055.775)(692.5054, 4304.47)(693.5078, 504.54) 3 689.4921 689.4921@2.979801 + 246.0527@2.9804828 2.9804828 (247.05994, 20412.35)(248.0643, 1648.5535)(249.06616, 757.2228)(229.0502, 1576.93) 16 246.0527 246.0527@2.9804828 + 305.0228@2.9873438 2.9873438 (306.03088, 2067.368) 9 305.0228 305.0228@2.9873438 + 365.2777@2.9913692 2.9913692 (731.5717, 1015.68)(366.2848, 5771.75)(367.2868, 1766.03) 1 365.2777 365.2777@2.9913692 + 731.3599@2.9933677 2.9933677 (732.3671, 1186.68)(733.3684, 873.88) 1 731.3599 731.3599@2.9933677 + 803.5963@2.995366 2.995366 (804.6035, 4554.38)(805.6071, 2659.44)(806.6081, 809.07) 1 803.5963 803.5963@2.995366 + 433.105@3.003427 3.003427 (434.1128, 1335.7357)(416.1019, 3031.6035) 7 433.105 433.105@3.003427 + Chlorocresol 3.005084 C14331 Chlorocresol [ C7 H7 Cl O, db=68.49, overall=34.25, CAS ID=59-50-7, KEGG ID=C14331, METLIN ID=43538 ] 59-50-7 (307.02625, 7042.3013)(308.02878, 1099.0814)(309.02548, 668.1667) 22 306.0189 Chlorocresol + 434.1021@2.9945216 2.9945216 (435.1095, 2091.8296)(417.0986, 5983.427)(418.1022, 1399.6582)(419.0994, 863.01) 13 434.1021 434.1021@2.9945216 + 296.9683@3.0043595 3.0043595 (297.9756, 826.48) 1 296.9683 296.9683@3.0043595 + Tutin + 3.0069094 3.0069094 C09570 Tutin [ C15 H18 O6, mfg=44.53, db=44.52, overall=44.53, CAS ID=2571-22-4, KEGG ID=C09570, METLIN ID=67812 ] 2571-22-4 (295.11856, 13195.234) 24 294.1111 Tutin + 3.0069094 + C25 H13 N6 O4 S 3.0166564 [ C25 H13 N6 O4 S, mfg=47.61, overall=47.61 ] (494.0791, 6589.228) 25 493.072 C25 H13 N6 O4 S + 299.0662@3.022145 3.022145 (300.07382, 4778.432) 16 299.0662 299.0662@3.022145 + Diosmetin 3.0244029 C10038 Diosmetin [ C16 H12 O6, mfg=72.21, db=72.20, overall=72.20, CAS ID=520-34-3, Lipid ID=LMPK12110824, KEGG ID=C10038, METLIN ID=44398 ] 520-34-3 (301.07074, 15680.137)(302.072, 4687.531)(303.07935, 1371.4443)(323.05066, 885.3733) 31 300.0636 Diosmetin + LMPK12110824 12a-Hydroxyrotenone 3.0461662 C10464 12a-Hydroxyrotenone [ C23 H22 O7, mfg=59.24, db=59.06, overall=59.15, CAS ID=509-96-6, KEGG ID=C10464, METLIN ID=68343 ] 509-96-6 (411.14386, 3319.5383)(412.14496, 1347.235) 11 410.1352 12a-Hydroxyrotenone + 658.1756@3.0623271 3.0623271 (659.18256, 3401.211)(660.18585, 1139.4082) 14 658.1756 658.1756@3.0623271 + 574.122@3.0780742 3.0780742 (575.1258, 2182.965)(576.1319, 817.42334) 4 574.122 574.122@3.0780742 + 456.1301@3.0727947 3.0727947 (457.13733, 4911.364)(458.14084, 1160.2474)(459.14172, 1199.085)(479.1196, 2062.31)(480.13318, 746.92004) 13 456.1301 456.1301@3.0727947 + 552.1566@3.0756412 3.0756412 (553.1638, 3357.7903)(554.16956, 1310.6578)(555.1692, 837.635)(575.1437, 4528.28)(576.1464, 1381.8434) 15 552.1566 552.1566@3.0756412 + 268.0808@3.0843406 3.0843406 (537.16876, 142843.1)(538.1714, 35931.906)(539.1732, 7252.1353)(540.1769, 1606.11)(559.1503, 55258.664)(560.1533, 14601.256)(561.15576, 3074.63)(269.0882, 256258.7)(270.0911, 33619.17)(291.06982, 95609.66)(292.07294, 11790.78)(293.07507, 1956.4401) 2 268.0808 268.0808@3.0843406 + 634.1796@3.089981 3.089981 (635.18677, 3703.6953)(636.19006, 1179.3628)(657.16895, 1715.61)(658.1783, 1050.25) 11 634.1796 634.1796@3.089981 + 306.037@3.0939395 3.0939395 (307.04388, 4165.646)(308.0448, 633.55) 5 306.037 306.037@3.0939395 + 562.1582@3.0893183 3.0893183 (563.16565, 4000.8503)(564.1685, 1199.338)(565.1722, 662.25)(545.1556, 979.51)(585.1466, 1269.6276) 13 562.1582 562.1582@3.0893183 + 351.2615@3.1442547 3.1442547 (352.2688, 8032.94)(353.2725, 2038.68) 1 351.2615 351.2615@3.1442547 + 455.1458@3.1527293 3.1527293 (456.15298, 6737.8457)(457.15228, 1740.717)(458.1579, 930.46) 12 455.1458 455.1458@3.1527293 + 713.4354@3.156382 3.156382 (714.4436, 1667.63)(715.4469, 920.015)(716.4394, 782.5) 4 713.4354 713.4354@3.156382 + Met Gly His 3.1577623 Met Gly His [ C13 H21 N5 O4 S, mfg=42.30, db=58.82, overall=50.56, METLIN ID=22483 ] (366.12204, 5269.3525)(367.1263, 1225.915) 12 365.1147 Met Gly His + C11 H21 Cl2 N4 O2 3.1553018 [ C11 H21 Cl2 N4 O2, mfg=47.61, overall=23.81 ] (312.11124, 7889.2397)(313.113, 1493.2218)(314.1156, 729.33)(294.10083, 4530.3374) 13 311.1041 C11 H21 Cl2 N4 O2 + Adenine + 3.1587083 3.1587083 C00147 Adenine [ C5 H5 N5, mfg=47.60, db=47.60, overall=47.60, CAS ID=73-24-5, KEGG ID=C00147, HMP ID=HMDB00034, METLIN ID=85 ] 73-24-5 (136.06172, 15080.27) 12 135.0545 Adenine + 3.1587083 HMDB00034 + 293.0935@3.1589415 3.1589415 (294.10065, 8055.616)(295.11246, 848.9766) 7 293.0935 293.0935@3.1589415 + 547.321@3.1910143 3.1910143 (548.32825, 6695.04)(549.3317, 2094.5872)(550.3338, 919.83496) 8 547.321 547.321@3.1910143 + 775.565@3.1902206 3.1902206 (776.5722, 3698.07)(777.5768, 1873.77) 1 775.565 775.565@3.1902206 + 163.1359@3.2279854 3.2279854 (164.1431, 8066.8774)(165.14629, 1229.3455) 14 163.1359 163.1359@3.2279854 + 761.549@3.2401838 3.2401838 (762.5563, 6710.9)(763.5607, 3297.26) 1 761.549 761.549@3.2401838 + 761.5501@3.3041363 3.3041363 (762.5573, 8543.75)(763.5607, 3430.72) 1 761.5501 761.5501@3.3041363 + 445.2883@3.3092763 3.3092763 (446.2958, 3947.553)(447.2929, 1241.004) 6 445.2883 445.2883@3.3092763 + 405.237@3.3341143 3.3341143 (406.2443, 1325.62) 1 405.237 405.237@3.3341143 + 392.1104@3.3443441 3.3443441 (393.1178, 2124.165)(394.1209, 917.03) 2 392.1104 392.1104@3.3443441 + 394.1267@3.3518662 3.3518662 (395.13425, 4178.2803)(396.1466, 1671.01) 2 394.1267 394.1267@3.3518662 + 498.0996@3.3538625 3.3538625 (499.1068, 3636.205)(500.1101, 1315.41) 2 498.0996 498.0996@3.3538625 + 497.1019@3.341109 3.341109 (498.1092, 1680.91) 1 497.1019 497.1019@3.341109 + 308.0351@3.370114 3.370114 (309.0424, 3191.7266)(310.0445, 971.84)(331.0218, 1017.8) 6 308.0351 308.0351@3.370114 + C6 H10 N3 O5 3.3619545 [ C6 H10 N3 O5, mfg=66.78, overall=66.78 ] (205.069, 6720.255)(206.0769, 952.1) 8 204.0619 C6 H10 N3 O5 + 748.5376@3.38108 3.38108 (749.5448, 6333.9)(750.5474, 1941.51) 1 748.5376 748.5376@3.38108 + 457.4107@3.392072 3.392072 (458.4179, 836.12) 1 457.4107 457.4107@3.392072 + 401.2621@3.409719 3.409719 (402.26947, 4075.98)(403.27356, 1095.5366) 4 401.2621 401.2621@3.409719 + 875.6537@3.3980677 3.3980677 (876.661, 10469.01)(877.6647, 5063.12)(878.6667, 1928.07) 1 875.6537 875.6537@3.3980677 + 445.2523@3.4060616 3.4060616 (446.2596, 6391.11)(447.2742, 1045.43) 1 445.2523 445.2523@3.4060616 + 481.3254@3.429045 3.429045 (482.3326, 3010.54) 1 481.3254 481.3254@3.429045 + 387.2296@3.437967 3.437967 (388.2409, 8148.992)(389.24594, 1521.1317)(390.23767, 796.8233)(370.22455, 1846.9)(371.2287, 933.09) 7 387.2296 387.2296@3.437967 + 386.2312@3.4337463 3.4337463 (387.23853, 4485.9004)(369.22626, 1096.995) 2 386.2312 386.2312@3.4337463 + 401.2623@3.4431388 3.4431388 (402.26953, 3596.0261)(403.27158, 1084.7533)(404.2634, 802.19) 5 401.2623 401.2623@3.4431388 + 733.5184@3.4719424 3.4719424 (734.52594, 9260.516)(735.52954, 4148.838)(736.5298, 1788.1333)(737.5347, 700.53) 4 733.5184 733.5184@3.4719424 + 210.9893@3.4784439 3.4784439 (211.99654, 3127.3494) 24 210.9893 210.9893@3.4784439 + Dextroamphetamine 3.4751046 C07884 Dextroamphetamine [ C9 H13 N, mfg=93.97, db=93.97, overall=93.97, CAS ID=51-64-9, KEGG ID=C07884, METLIN ID=1960 ] 51-64-9 (271.2176, 596.38)(136.11198, 23149.938)(137.11487, 2977.1113)(138.1252, 566.81) 32 135.1047 Dextroamphetamine + 467.309@3.4890015 3.4890015 (468.3163, 6136.48)(469.3249, 1366.78)(470.3225, 643.73) 1 467.309 467.309@3.4890015 + 754.3731@3.490001 3.490001 (755.3804, 1536.5) 1 754.3731 754.3731@3.490001 + Rhexifoline 3.5318797 C09986 Rhexifoline [ C11 H13 N O3, mfg=82.91, db=82.88, overall=82.89, CAS ID=93915-32-3, KEGG ID=C09986, METLIN ID=68065 ] 93915-32-3 (208.09718, 9508.271)(209.0996, 1491.4673)(230.08134, 1232.275) 25 207.0899 Rhexifoline + 847.6226@3.5841227 3.5841227 (848.624, 3740.8447)(849.6274, 2009.2449)(850.6357, 1044.5) 2 847.6226 847.6226@3.5841227 + 453.2933@3.5419633 3.5419633 (454.3006, 8731.31)(455.3048, 2660.02)(456.3097, 1098.66) 1 453.2933 453.2933@3.5419633 + 458.2491@3.5499578 3.5499578 (459.2564, 1280.05) 1 458.2491 458.2491@3.5499578 + 886.4141@3.5499578 3.5499578 (887.4213, 995.56)(888.4215, 1125.6) 1 886.4141 886.4141@3.5499578 + 717.3654@3.5939264 3.5939264 (718.3727, 2337.85)(719.3681, 1081.13) 1 717.3654 717.3654@3.5939264 + 850.4053@3.5969243 3.5969243 (851.4126, 1603.6) 1 850.4053 850.4053@3.5969243 + 849.405@3.5999222 3.5999222 (850.4123, 1434.2) 1 849.405 849.405@3.5999222 + 849.9051@3.6019208 3.6019208 (850.9124, 2374.16)(851.9132, 1917.46) 1 849.9051 849.9051@3.6019208 + 679.8523@3.605918 3.605918 (680.8596, 1275.3) 1 679.8523 679.8523@3.605918 + 819.5916@3.6138356 3.6138356 (820.6003, 2075.8035)(821.6027, 1119.9335) 3 819.5916 819.5916@3.6138356 + 647.4098@3.6259038 3.6259038 (648.4171, 3250.57)(649.4187, 1216.17) 1 647.4098 647.4098@3.6259038 + 89.0297@3.6409922 3.6409922 (90.03702, 3378.6453) 11 89.0297 89.0297@3.6409922 + 415.3656@3.6321125 3.6321125 (416.37268, 3836.077)(417.37637, 1340.46) 6 415.3656 415.3656@3.6321125 + 413.3502@3.6388946 3.6388946 (414.3575, 3243.44)(415.3607, 839.67) 1 413.3502 413.3502@3.6388946 + C5 H9 N O S 3.6432827 [ C5 H9 N O S, mfg=73.83, overall=73.83 ] (132.0479, 6782.892)(133.0512, 737.56) 20 131.0405 C5 H9 N O S + 591.3472@3.6626198 3.6626198 (592.3542, 6362.454)(593.3583, 2054.1968)(594.36053, 985.25) 10 591.3472 591.3472@3.6626198 + 813.396@3.6618786 3.6618786 (814.4032, 2709.01)(815.4034, 992.53) 1 813.396 813.396@3.6618786 + 812.8973@3.6618786 3.6618786 (813.9046, 2829.56)(814.9042, 1716.76) 1 812.8973 812.8973@3.6618786 + 805.5764@3.6822047 3.6822047 (806.5844, 4747.455)(807.587, 3643.81)(808.5907, 1131.99) 2 805.5764 805.5764@3.6822047 + 411.8026@3.6778674 3.6778674 (412.8099, 2260.41) 1 411.8026 411.8026@3.6778674 + 679.3544@3.6798658 3.6798658 (680.3617, 3880.0)(681.3623, 2719.37) 1 679.3544 679.3544@3.6798658 + 679.8548@3.6798658 3.6798658 (680.8621, 3213.53)(681.8629, 1183.77) 1 679.8548 679.8548@3.6798658 + 525.3514@3.6858616 3.6858616 (526.3587, 3370.34)(527.3625, 1112.49) 1 525.3514 525.3514@3.6858616 + 642.346@3.6938562 3.6938562 (643.3533, 2111.52)(644.3576, 1441.58) 1 642.346 642.346@3.6938562 + 738.8785@3.7108443 3.7108443 (739.8858, 2048.04)(740.8839, 830.75) 1 738.8785 738.8785@3.7108443 + 738.3766@3.7158408 3.7158408 (739.3838, 1718.25)(740.387, 1261.48) 1 738.3766 738.3766@3.7158408 + 863.6199@3.7188387 3.7188387 (864.6272, 1017.57)(865.6286, 631.62) 1 863.6199 863.6199@3.7188387 + 775.8874@3.7292924 3.7292924 (776.8937, 2717.8198)(777.894, 1811.58) 2 775.8874 775.8874@3.7292924 + 945.9367@3.719838 3.719838 (946.9439, 1784.89)(947.9437, 1403.47) 1 945.9367 945.9367@3.719838 + 775.3865@3.7307901 3.7307901 (776.39404, 2802.555)(777.3937, 2631.58)(778.3952, 1711.67) 2 775.3865 775.3865@3.7307901 + 404.2935@3.7238352 3.7238352 (405.3008, 5964.53)(406.3023, 975.6) 1 404.2935 404.2935@3.7238352 + 511.3352@3.7248344 3.7248344 (512.3425, 4365.95)(513.346, 999.25) 1 511.3352 511.3352@3.7248344 + 791.5603@3.74253 3.74253 (792.56854, 5887.793)(793.5705, 2389.1165)(794.5733, 2035.3) 3 791.5603 791.5603@3.74253 + 489.3148@3.746981 3.746981 (490.3221, 3877.3958)(491.31705, 1254.5256) 9 489.3148 489.3148@3.746981 + 648.4126@3.7478187 3.7478187 (649.4199, 936.71)(650.428, 604.5) 1 648.4126 648.4126@3.7478187 + 908.9284@3.7498174 3.7498174 (909.9356, 2139.02)(910.936, 1645.99) 1 908.9284 908.9284@3.7498174 + 647.4096@3.755813 3.755813 (648.4169, 3484.82) 1 647.4096 647.4096@3.755813 + 423.3199@3.7628083 3.7628083 (424.3271, 4757.16)(425.3297, 1628.3) 1 423.3199 423.3199@3.7628083 + 497.3201@3.768804 3.768804 (498.3273, 6494.2) 1 497.3201 497.3201@3.768804 + 642.3443@3.7698035 3.7698035 (643.3516, 3959.2)(644.3568, 2435.64)(645.3529, 1238.0) 1 642.3443 642.3443@3.7698035 + 461.8479@3.7708027 3.7708027 (462.8552, 2065.12) 1 461.8479 461.8479@3.7708027 + 642.8459@3.7728014 3.7728014 (643.8532, 3640.6)(644.8519, 1619.66) 1 642.8459 642.8459@3.7728014 + 905.6681@3.7728014 3.7728014 (906.6754, 1266.89) 1 905.6681 905.6681@3.7728014 + 777.5449@3.7817497 3.7817497 (778.5525, 6594.7744)(779.5557, 2894.4922)(780.55505, 2151.375)(781.5612, 554.01) 5 777.5449 777.5449@3.7817497 + 397.7869@3.7787971 3.7787971 (398.7942, 3629.78) 1 397.7869 397.7869@3.7787971 + 739.3781@3.7797966 3.7797966 (740.3854, 4302.94)(741.3861, 1266.63) 1 739.3781 739.3781@3.7797966 + 738.3772@3.792669 3.792669 (739.38464, 2658.615) 2 738.3772 738.3772@3.792669 + 871.9188@3.7921722 3.7921722 (872.9256, 2133.315)(873.9268, 1405.165)(874.9291, 725.8) 2 871.9188 871.9188@3.7921722 + 738.877@3.7941694 3.7941694 (739.88477, 3687.605)(740.885, 1169.9401)(741.885, 581.06) 2 738.877 738.877@3.7941694 + 872.4175@3.7897897 3.7897897 (873.4248, 3561.72)(874.4264, 1509.75) 1 872.4175 872.4175@3.7897897 + 701.8684@3.7897897 3.7897897 (702.8756, 2130.09)(703.8772, 932.78) 1 701.8684 701.8684@3.7897897 + 397.2856@3.7967849 3.7967849 (398.2929, 5932.99) 1 397.2856 397.2856@3.7967849 + 546.312@3.7977843 3.7977843 (547.3193, 1534.07)(548.3283, 918.08) 1 546.312 546.312@3.7977843 + 605.3373@3.799783 3.799783 (606.3445, 2610.24)(607.3452, 1656.37) 1 605.3373 605.3373@3.799783 + 454.8393@3.8311388 3.8311388 (455.8473, 4290.985) 2 454.8393 454.8393@3.8311388 + 454.3377@3.8027809 3.8027809 (455.345, 10669.96)(456.3462, 2730.94) 1 454.3377 454.3377@3.8027809 + 489.2783@3.80378 3.80378 (490.2856, 5701.22) 1 489.2783 489.2783@3.80378 + 891.6472@3.854021 3.854021 (892.64685, 2001.9641)(893.6467, 1468.8175)(894.6606, 993.74) 5 891.6472 891.6472@3.854021 + 274.1144@3.8185334 3.8185334 (275.12137, 3174.938)(276.127, 841.32996) 5 274.1144 274.1144@3.8185334 + 533.3062@3.81877 3.81877 (534.3134, 1436.13) 1 533.3062 533.3062@3.81877 + 603.3829@3.8315945 3.8315945 (604.38995, 2490.9048)(605.3961, 1010.445) 2 603.3829 603.3829@3.8315945 + 835.4107@3.8247657 3.8247657 (836.418, 3109.97)(837.4185, 1453.78) 1 835.4107 835.4107@3.8247657 + 834.4086@3.8257654 3.8257654 (835.4159, 3049.45) 1 834.4086 834.4086@3.8257654 + 834.9095@3.839077 3.839077 (835.9162, 3371.335)(836.9172, 1826.42)(837.9173, 724.95) 2 834.9095 834.9095@3.839077 + 519.5757@3.8417544 3.8417544 (520.5811, 2474.77)(521.5834, 1000.65)(542.5655, 8389.69)(543.5693, 3626.63) 1 519.5757 519.5757@3.8417544 + 409.303@3.8517478 3.8517478 (410.3103, 4842.51)(411.315, 1183.83) 1 409.303 409.303@3.8517478 + 701.3676@3.8645582 3.8645582 (702.37555, 3321.4832)(703.37744, 2275.4133)(704.3751, 1997.42) 3 701.3676 701.3676@3.8645582 + 545.5889@3.8567443 3.8567443 (546.5962, 2429.3)(547.5997, 1120.24) 1 545.5889 545.5889@3.8567443 + 430.2571@3.8567443 3.8567443 (431.2653, 2469.24)(448.2862, 980.01) 1 430.2571 430.2571@3.8567443 + 370.2203@3.868573 3.868573 (371.22717, 6667.624)(372.22842, 1544.6655)(373.23303, 922.97675)(388.25397, 295081.97)(389.25726, 54749.855)(390.25928, 10273.17)(393.21008, 1228.559) 17 370.2203 370.2203@3.868573 + 701.8681@3.8597422 3.8597422 (702.8754, 5186.68)(703.8756, 3152.82)(704.8745, 651.9) 1 701.8681 701.8681@3.8597422 + 711.6006@3.8637395 3.8637395 (712.6078, 22668.95)(713.6115, 9780.93)(714.6146, 3012.86) 1 711.6006 711.6006@3.8637395 + 605.3349@3.8677366 3.8677366 (606.3422, 3923.22)(607.3442, 2368.01) 1 605.3349 605.3349@3.8677366 + 440.3211@3.8006816 3.8006816 (441.32797, 2578.3376)(442.33224, 934.60626) 10 440.3211 440.3211@3.8006816 + 605.8352@3.8697355 3.8697355 (606.8425, 3104.38)(607.8428, 1393.26) 1 605.8352 605.8352@3.8697355 + 697.5845@3.8707347 3.8707347 (698.5918, 3773.73)(699.5961, 2024.85) 1 697.5845 697.5845@3.8707347 + 863.6172@3.8908753 3.8908753 (864.62415, 1607.3175)(865.62897, 906.6325) 4 863.6172 863.6172@3.8908753 + 599.4747@3.8737328 3.8737328 (600.4815, 2848.18)(601.4837, 1483.6)(617.5094, 2189.33)(618.5133, 1109.01) 1 599.4747 599.4747@3.8737328 + 664.3564@3.8777301 3.8777301 (665.3637, 2392.46)(666.3681, 2190.63) 1 664.3564 664.3564@3.8777301 + 683.5695@3.8787293 3.8787293 (684.5768, 40586.5)(685.5802, 18780.86)(686.583, 4908.14)(687.5863, 864.7) 1 683.5695 683.5695@3.8787293 + 797.8998@3.8817275 3.8817275 (798.9071, 5301.43)(799.9081, 2840.72)(800.907, 1057.37) 1 797.8998 797.8998@3.8817275 + 797.3992@3.891478 3.891478 (798.40643, 3471.395)(799.4072, 1900.27) 2 797.3992 797.3992@3.891478 + 798.3995@3.8827267 3.8827267 (799.4068, 5053.72)(800.4082, 1902.67) 1 798.3995 798.3995@3.8827267 + 669.5519@3.8857248 3.8857248 (670.5592, 2400.85)(671.5642, 910.34) 1 669.5519 669.5519@3.8857248 + 968.451@3.8917208 3.8917208 (969.4583, 1298.87)(970.4591, 761.25) 1 968.451 968.451@3.8917208 + 723.8824@3.895718 3.895718 (724.8897, 936.73)(725.887, 662.99) 1 723.8824 723.8824@3.895718 + 655.5386@3.895718 3.895718 (656.5459, 6432.65)(657.5492, 2991.13)(658.553, 903.36) 1 655.5386 655.5386@3.895718 + 504.9753@3.909834 3.909834 (505.98047, 1794.02) 2 504.9753 504.9753@3.909834 + 222.0876@3.9094036 3.9094036 (223.09348, 6024.981)(224.0917, 981.47)(245.0768, 8533.54)(246.0853, 1181.17) 7 222.0876 222.0876@3.9094036 + 739.5979@3.9027133 3.9027133 (740.6052, 2879.11)(741.6051, 1536.82)(742.6172, 2288.07)(743.6208, 1039.36) 1 739.5979 739.5979@3.9027133 + 931.4417@3.9027133 3.9027133 (932.449, 2421.97)(933.4475, 1484.56) 1 931.4417 931.4417@3.9027133 + 968.9496@3.9037125 3.9037125 (969.9569, 1445.48) 1 968.9496 968.9496@3.9037125 + 930.9417@3.9154334 3.9154334 (931.9492, 1584.3601)(932.9498, 1190.505) 2 930.9417 930.9417@3.9154334 + 433.3146@3.9117074 3.9117074 (434.3218, 10297.38)(435.328, 1573.72)(436.3088, 696.23) 1 433.3146 433.3146@3.9117074 + 433.8167@3.9127066 3.9127066 (434.824, 4411.56) 1 433.8167 433.8167@3.9127066 + 849.6028@3.9127066 3.9127066 (850.6101, 3637.41)(851.6135, 1793.36) 1 849.6028 849.6028@3.9127066 + 407.4488@3.9187515 3.9187515 (408.4562, 4700.987)(409.4591, 3307.89) 3 407.4488 407.4488@3.9187515 + 623.5848@3.9147055 3.9147055 (624.5921, 14327.47)(625.5957, 6148.4)(626.5958, 1782.32) 1 623.5848 623.5848@3.9147055 + 689.5933@3.9157047 3.9157047 (690.6006, 2713.22)(691.6035, 1189.8) 1 689.5933 689.5933@3.9157047 + 651.6139@3.9177034 3.9177034 (652.6212, 5356.54)(653.6239, 2680.38) 1 651.6139 651.6139@3.9177034 + 687.5564@3.9187026 3.9187026 (688.5637, 2183.47)(689.5669, 1015.08) 1 687.5564 687.5564@3.9187026 + 713.5808@3.9063833 3.9063833 (714.5865, 2043.4834)(715.5893, 1023.6567) 3 713.5808 713.5808@3.9063833 + 691.4361@3.919702 3.919702 (692.4433, 3948.33)(693.4479, 1816.62) 1 691.4361 691.4361@3.919702 + 443.2367@3.9366395 3.9366395 (444.24384, 3106.273)(445.24722, 1011.266)(446.2477, 533.02) 7 443.2367 443.2367@3.9366395 + 595.553@3.9246988 3.9246988 (596.5603, 7087.09)(597.5643, 2919.24)(598.5682, 843.83) 1 595.553 595.553@3.9246988 + 581.5378@3.9286962 3.9286962 (582.5451, 20138.01)(583.5489, 8423.31)(584.5515, 2025.38) 1 581.5378 581.5378@3.9286962 + 663.5796@3.9244924 3.9244924 (664.5873, 6719.28)(665.59106, 3001.025) 2 663.5796 663.5796@3.9244924 + 677.5949@3.931694 3.931694 (678.6022, 2417.59)(679.6091, 1217.01)(680.617, 5513.85)(681.6224, 2431.74)(682.6312, 1892.92) 1 677.5949 677.5949@3.931694 + 893.9313@3.9346921 3.9346921 (894.9386, 3740.91)(895.9387, 2164.39)(896.9403, 923.76) 1 893.9313 893.9313@3.9346921 + 664.8589@3.9356914 3.9356914 (665.8662, 6155.99)(666.8671, 2440.79) 1 664.8589 664.8589@3.9356914 + 893.431@3.9366906 3.9366906 (894.4383, 2413.67) 1 893.431 893.431@3.9366906 + 894.4323@3.9366906 3.9366906 (895.4396, 3763.04)(896.44, 1871.73) 1 894.4323 894.4323@3.9366906 + 664.3573@3.9376903 3.9376903 (665.3646, 6374.15)(666.3658, 4291.01)(667.3685, 1107.84) 1 664.3573 664.3573@3.9376903 + 760.3899@3.95335 3.95335 (761.3971, 4697.71)(762.39844, 3781.245)(763.3991, 1872.83) 2 760.3899 760.3899@3.95335 + 760.8915@3.9523535 3.9523535 (761.8982, 5027.305)(762.8971, 2666.705)(763.8985, 906.06) 2 760.8915 760.8915@3.9523535 + 555.3613@3.9406881 3.9406881 (556.3686, 3170.53)(557.3623, 958.24) 1 555.3613 555.3613@3.9406881 + 553.5059@3.9446855 3.9446855 (554.5132, 2123.14) 1 553.5059 553.5059@3.9446855 + 696.6445@3.9466841 3.9466841 (697.6518, 3240.95)(698.6545, 833.99) 1 696.6445 696.6445@3.9466841 + 668.6139@3.9578457 3.9578457 (669.6212, 5700.195)(670.6233, 1502.4349) 2 668.6139 668.6139@3.9578457 + 635.5485@3.9486828 3.9486828 (636.5558, 3796.16)(637.5575, 1677.94) 1 635.5485 635.5485@3.9486828 + 723.3819@3.951681 3.951681 (724.3891, 1841.58)(725.3904, 1411.29) 1 723.3819 723.3819@3.951681 + 395.2884@3.951681 3.951681 (396.2957, 7743.3)(397.3006, 1775.11) 1 395.2884 395.2884@3.951681 + 426.8079@3.95268 3.95268 (427.8152, 6155.35)(428.8161, 669.62) 1 426.8079 426.8079@3.95268 + 426.3068@3.95268 3.95268 (427.3141, 13125.56)(428.316, 2053.8) 1 426.3068 426.3068@3.95268 + 835.5868@3.9687777 3.9687777 (836.5936, 4026.0898)(837.5975, 2962.58)(838.6009, 1044.2) 2 835.5868 835.5868@3.9687777 + 612.5522@3.966671 3.966671 (613.5595, 3926.02)(614.5611, 968.78) 1 612.5522 612.5522@3.966671 + 525.4743@3.9716678 3.9716678 (526.4816, 2249.1)(527.483, 1323.26) 1 525.4743 525.4743@3.9716678 + 635.3739@3.9830124 3.9830124 (636.38074, 6062.1157)(637.384, 2064.6519)(638.38745, 958.7925) 10 635.3739 635.3739@3.9830124 + 856.9224@3.9850905 3.9850905 (857.93, 2607.1833)(858.9289, 1603.1666)(859.9275, 850.66) 3 856.9224 856.9224@3.9850905 + 857.422@3.9766645 3.9766645 (858.4293, 4977.79)(859.4286, 1991.27) 1 857.422 857.422@3.9766645 + 572.4047@3.9903896 3.9903896 (573.4098, 2727.2998)(574.41595, 1112.155) 2 572.4047 572.4047@3.9903896 + 516.3425@3.9826603 3.9826603 (517.3498, 2333.39)(518.3502, 1049.92) 1 516.3425 516.3425@3.9826603 + 568.3263@3.98366 3.98366 (569.3335, 2880.18)(570.3342, 1635.5) 1 568.3263 568.3263@3.98366 + 511.4572@3.9846592 3.9846592 (512.4645, 1442.38)(513.469, 938.85) 1 511.4572 511.4572@3.9846592 + 541.3457@3.9886565 3.9886565 (542.353, 5190.72) 1 541.3457 541.3457@3.9886565 + 583.5174@3.9886565 3.9886565 (584.5247, 3731.28)(585.5269, 1482.26) 1 583.5174 583.5174@3.9886565 + 531.4033@3.9966514 3.9966514 (532.4106, 2331.5)(533.4173, 1245.49)(534.409, 1357.3) 1 531.4033 531.4033@3.9966514 + 497.4442@3.9996493 3.9996493 (498.4515, 2666.2)(499.4532, 1184.92) 1 497.4442 497.4442@3.9996493 + 821.5709@4.0203414 4.0203414 (822.5783, 4677.6)(823.58203, 2654.78)(824.5823, 1055.06) 3 821.5709 821.5709@4.0203414 + 419.3004@4.0026474 4.0026474 (420.3077, 19195.52)(421.3146, 3114.45) 1 419.3004 419.3004@4.0026474 + 419.8003@4.0206747 4.0206747 (420.80795, 3833.17) 3 419.8003 419.8003@4.0206747 + 476.3513@4.0066447 4.0066447 (477.3585, 12147.66)(478.3614, 2950.76) 1 476.3513 476.3513@4.0066447 + 935.6756@4.0086436 4.0086436 (936.6828, 2982.77)(937.685, 1797.31) 1 935.6756 935.6756@4.0086436 + 723.8821@4.0222135 4.0222135 (724.8896, 5710.0947)(725.89, 2223.48) 2 723.8821 723.8821@4.0222135 + 723.3801@4.021379 4.021379 (724.38837, 4207.9536)(725.3911, 1302.19) 3 723.3801 723.3801@4.021379 + 724.3816@4.0116415 4.0116415 (725.3888, 7812.47)(726.3904, 1825.05) 1 724.3816 724.3816@4.0116415 + 555.4811@4.01464 4.01464 (556.4884, 1644.92)(557.4945, 904.35) 1 555.4811 555.4811@4.01464 + 691.4357@4.019636 4.019636 (692.443, 2123.05) 1 691.4357 691.4357@4.019636 + 820.4127@4.0226345 4.0226345 (821.4199, 6314.21)(822.4218, 2765.35) 1 820.4127 820.4127@4.0226345 + 819.4127@4.0371833 4.0371833 (820.4201, 4052.54)(821.4212, 2741.19) 2 819.4127 819.4127@4.0371833 + 819.9131@4.035028 4.035028 (820.92, 3406.53)(821.9216, 2185.8167)(822.9219, 1080.35) 3 819.9131 819.9131@4.035028 + C27 H49 N 4.025198 [ C27 H49 N, mfg=97.35, overall=97.35 ] (388.3933, 23062.475)(389.3965, 7104.4375)(390.4001, 1661.568) 18 387.386 C27 H49 N + C17 H34 N2 O3 + 4.037112 4.037112 [ C17 H34 N2 O3, mfg=80.66, overall=80.66 ] (315.26407, 11960.5625)(316.26993, 2719.3975)(317.27155, 1132.7999) 19 314.2569 C17 H34 N2 O3 + 4.037112 + 459.3703@4.030629 4.030629 (460.3775, 1565.73) 1 459.3703 459.3703@4.030629 + 627.8496@4.034627 4.034627 (628.8569, 4230.21)(629.8586, 1293.62) 1 627.8496 627.8496@4.034627 + 469.4119@4.037625 4.037625 (470.4191, 1440.22) 1 469.4119 469.4119@4.037625 + 989.9623@4.0426216 4.0426216 (990.9696, 1530.13)(991.9678, 1239.98) 1 989.9623 989.9623@4.0426216 + 331.3236@3.9934423 3.9934423 (332.33087, 60369.156)(333.33398, 14915.895)(334.33746, 2085.28) 2 331.3236 331.3236@3.9934423 + 632.4966@4.0496173 4.0496173 (633.5038, 1027.15) 1 632.4966 632.4966@4.0496173 + 952.4527@4.054614 4.054614 (953.46, 1564.59) 1 952.4527 952.4527@4.054614 + 357.3244@4.057612 4.057612 (358.3317, 1236.99) 1 357.3244 357.3244@4.057612 + 952.9541@4.0586114 4.0586114 (953.9613, 2158.45)(954.9609, 1687.63)(955.962, 841.4) 1 952.9541 952.9541@4.0586114 + 283.0917@4.065139 4.065139 (284.0993, 10775.906)(285.10318, 1940.6222)(286.10364, 776.83246)(306.0809, 6455.308)(307.08417, 1228.4327) 20 283.0917 283.0917@4.065139 + 305.2839@4.0643425 4.0643425 (306.2906, 1551.922)(307.3036, 785.32) 5 305.2839 305.2839@4.0643425 + 915.9442@4.08808 4.08808 (916.9507, 2681.17)(917.9527, 1890.99)(918.9524, 835.56) 2 915.9442 915.9442@4.08808 + 915.4445@4.079598 4.079598 (916.4518, 3009.55) 1 915.4445 915.4445@4.079598 + 688.3741@4.079598 4.079598 (689.3813, 1801.72) 1 688.3741 688.3741@4.079598 + 916.4449@4.095561 4.095561 (917.45197, 2272.78)(918.4531, 742.01) 2 916.4449 916.4449@4.095561 + 782.9037@4.095067 4.095067 (783.91113, 6067.28)(784.9118, 3315.79)(785.91034, 889.895) 2 782.9037 782.9037@4.095067 + 782.4031@4.098824 4.098824 (783.41, 4045.5632)(784.41144, 3934.9548)(785.4118, 2267.29) 3 782.4031 782.4031@4.098824 + 686.8727@4.090591 4.090591 (687.88, 8007.03)(688.8804, 3071.33) 1 686.8727 686.8727@4.090591 + 647.4101@4.094679 4.094679 (648.41595, 1985.0376)(649.4188, 1097.0)(650.429, 1262.96) 4 647.4101 647.4101@4.094679 + 686.3711@4.1025515 4.1025515 (687.37836, 5224.525)(688.3812, 3632.43) 2 686.3711 686.3711@4.1025515 + 356.3479@4.0925894 4.0925894 (357.3552, 2945.6)(358.3674, 943.84) 1 356.3479 356.3479@4.0925894 + 525.8877@4.096587 4.096587 (526.895, 2018.12) 1 525.8877 525.8877@4.096587 + 525.3886@4.0975866 4.0975866 (526.3959, 3637.24) 1 525.3886 525.3886@4.0975866 + 533.3045@4.109579 4.109579 (534.3117, 4057.47) 1 533.3045 533.3045@4.109579 + 455.3281@4.1095862 4.1095862 (456.33514, 5184.32)(457.3365, 1395.92) 2 455.3281 455.3281@4.1095862 + 625.5277@4.112577 4.112577 (626.535, 2671.7)(627.5371, 2022.7)(628.5417, 973.95) 1 625.5277 625.5277@4.112577 + 455.8289@4.112577 4.112577 (456.8362, 4056.48) 1 455.8289 455.8289@4.112577 + 879.4359@4.1135764 4.1135764 (880.4432, 5648.74)(881.4441, 2327.49) 1 879.4359 879.4359@4.1135764 + 878.435@4.127997 4.127997 (879.44275, 3035.06)(880.4421, 1452.44)(881.442, 1042.22) 2 878.435 878.435@4.127997 + 878.9355@4.1275005 4.1275005 (879.94305, 3558.48)(880.944, 2335.155)(881.9407, 895.51) 2 878.9355 878.9355@4.1275005 + 243.079@4.119573 4.119573 (244.085, 3198.43)(266.0696, 2407.83) 1 243.079 243.079@4.119573 + 531.317@4.1265683 4.1265683 (532.3243, 1910.27) 1 531.317 531.317@4.1265683 + 531.8196@4.128567 4.128567 (532.8269, 1579.23) 1 531.8196 531.8196@4.128567 + Resveratrol 4''-Methyl Ether 4.149179 Resveratrol 4''-Methyl Ether [ C15 H14 O3, mfg=45.08, db=93.46, overall=69.27, CAS ID=, METLIN ID=43565 ] (265.0827, 12472.353)(266.0868, 2012.5386)(267.0896, 651.375) 20 264.0751 Resveratrol 4''-Methyl Ether + 611.5115@4.136562 4.136562 (612.5187, 3318.29)(613.5211, 1521.65) 1 611.5115 611.5115@4.136562 + 590.8413@4.1435575 4.1435575 (591.8486, 3938.06)(592.8488, 1519.14) 1 590.8413 590.8413@4.1435575 + 590.3395@4.145556 4.145556 (591.3468, 4405.39)(592.3525, 1932.61)(593.3603, 843.48) 1 590.3395 590.3395@4.145556 + 448.8212@4.1515527 4.1515527 (449.8285, 4758.24)(450.8262, 674.55) 1 448.8212 448.8212@4.1515527 + 543.4135@4.1515527 4.1515527 (544.4208, 4763.59)(545.4231, 1805.48) 1 543.4135 543.4135@4.1515527 + 448.321@4.152552 4.152552 (449.3283, 8884.96)(450.332, 1999.83) 1 448.321 448.321@4.152552 + 745.3936@4.166916 4.166916 (746.4011, 6976.89)(747.40234, 5704.795)(748.4006, 1926.45) 2 745.3936 745.3936@4.166916 + 745.8947@4.1659207 4.1659207 (746.901, 5925.46)(747.9016, 3014.875)(748.9013, 916.85) 2 745.8947 745.8947@4.1659207 + 599.3874@4.15555 4.15555 (600.3947, 2261.32)(601.397, 1018.58) 1 599.3874 599.3874@4.15555 + 339.2517@4.1670237 4.1670237 (340.25897, 3698.108)(341.26166, 1181.9381)(342.2641, 1133.82)(322.2525, 628.89) 10 339.2517 339.2517@4.1670237 + 841.926@4.1783137 4.1783137 (842.9333, 3979.3767)(843.9358, 2585.4033)(844.9347, 1125.94) 3 841.926 841.926@4.1783137 + 841.4263@4.1645446 4.1645446 (842.4335, 6961.52) 1 841.4263 841.4263@4.1645446 + 735.4631@4.165544 4.165544 (736.4703, 1434.66) 1 735.4631 735.4631@4.165544 + 842.4268@4.1728687 4.1728687 (843.4334, 3848.2334)(844.4342, 1691.69) 3 842.4268 842.4268@4.1728687 + 597.4963@4.1725397 4.1725397 (598.5036, 9646.58)(599.507, 4112.63)(600.5055, 1734.66) 1 597.4963 597.4963@4.1725397 + 509.3391@4.1806803 4.1806803 (510.34583, 1284.18)(511.34314, 772.475) 4 509.3391 509.3391@4.1806803 + 414.2464@4.192185 4.192185 (415.25333, 5043.2466)(416.25677, 1777.915)(417.2629, 927.91)(437.23547, 1719.4135) 3 414.2464 414.2464@4.192185 + 649.8632@4.1835327 4.1835327 (650.8705, 6256.64)(651.8693, 2504.9) 1 649.8632 649.8632@4.1835327 + 649.3613@4.185532 4.185532 (650.3686, 7217.39)(651.3702, 5103.17)(652.3727, 906.41) 1 649.3613 649.3613@4.185532 + 498.3637@4.1875305 4.1875305 (499.3709, 10380.44)(500.3769, 2799.25) 1 498.3637 498.3637@4.1875305 + 498.8656@4.1875305 4.1875305 (499.8729, 6974.56) 1 498.8656 498.8656@4.1875305 + 369.3238@4.1905284 4.1905284 (370.3311, 4142.67) 1 369.3238 369.3238@4.1905284 + 209.069@4.211323 4.211323 (210.0764, 8251.154)(211.08134, 1621.085)(212.0786, 818.35) 2 209.069 209.069@4.211323 + 441.8139@4.198524 4.198524 (442.8212, 6182.48)(443.8244, 835.49) 1 441.8139 441.8139@4.198524 + 974.9674@4.198524 4.198524 (975.9747, 1849.4) 1 974.9674 974.9674@4.198524 + 610.433@4.215996 4.215996 (611.4404, 1001.94995) 2 610.433 610.433@4.215996 + 459.3229@4.1995234 4.1995234 (460.3318, 988.46)(442.3195, 16741.32)(443.3229, 3294.79) 1 459.3229 459.3229@4.1995234 + 865.5975@4.214887 4.214887 (866.60516, 2989.505)(867.6081, 2244.33)(868.6097, 774.52) 2 865.5975 865.5975@4.214887 + 975.4675@4.2005224 4.2005224 (976.4748, 2200.24)(977.4752, 1224.88) 1 975.4675 975.4675@4.2005224 + 585.3736@4.2045197 4.2045197 (586.3809, 3963.39) 1 585.3736 585.3736@4.2045197 + 583.4804@4.2125154 4.2125154 (584.4877, 16761.22)(585.4913, 6442.07)(586.4864, 1958.68) 1 583.4804 583.4804@4.2125154 + 568.5182@4.223803 4.223803 (569.5242, 1432.59)(570.5297, 912.01) 4 568.5182 568.5182@4.223803 + 937.9581@4.215513 4.215513 (938.9654, 3950.23)(939.9659, 2761.22)(940.9676, 1298.65) 1 937.9581 937.9581@4.215513 + 325.0235@4.2215347 4.2215347 (326.03052, 1600.0367) 3 325.0235 325.0235@4.2215347 + 938.4577@4.227296 4.227296 (939.4646, 2544.06)(940.46533, 1488.02) 2 938.4577 938.4577@4.227296 + 350.0449@4.2302427 4.2302427 (351.0521, 1586.8679) 5 350.0449 350.0449@4.2302427 + 245.0917@4.2205105 4.2205105 (246.0989, 2721.13)(247.1031, 856.5) 1 245.0917 245.0917@4.2205105 + 804.9171@4.234277 4.234277 (805.9245, 6792.46)(806.9263, 3076.38)(807.9246, 1335.33) 2 804.9171 804.9171@4.234277 + 804.4163@4.231166 4.231166 (805.42334, 3369.6248)(806.4242, 1074.07) 4 804.4163 804.4163@4.231166 + 805.4176@4.235739 4.235739 (806.4245, 5282.3647)(807.4239, 1531.175) 2 805.4176 805.4176@4.235739 + 243.2197@4.2460976 4.2460976 (244.22697, 14457.982)(245.23009, 2540.8633)(246.23276, 848.95496)(226.21632, 9037.671)(227.21901, 1672.9559) 18 243.2197 243.2197@4.2460976 + 708.8851@4.2462535 4.2462535 (709.89264, 6004.115)(710.8921, 2206.775)(711.8912, 873.49) 2 708.8851 708.8851@4.2462535 + 575.5746@4.234502 4.234502 (576.5818, 9651.32)(577.5852, 4059.3)(578.5886, 1152.23) 1 575.5746 575.5746@4.234502 + C17 H31 N O4 + 4.244765 4.244765 [ C17 H31 N O4, mfg=72.90, overall=72.90 ] (314.2322, 4769.924)(315.23492, 1303.1674)(316.2389, 919.09) 27 313.2247 C17 H31 N O4 + 4.244765 + 708.384@4.2447605 4.2447605 (709.3918, 6130.9)(710.393, 7823.4)(711.3953, 1973.6) 2 708.384 708.384@4.2447605 + 397.3548@4.233572 4.233572 (398.36194, 1683.8867)(399.3642, 768.1) 3 397.3548 397.3548@4.233572 + 679.3995@4.251438 4.251438 (680.40735, 4523.44)(681.4107, 1705.399)(682.41583, 796.9567) 10 679.3995 679.3995@4.251438 + 255.2925@4.235485 4.235485 (256.29968, 3885.665)(257.3038, 1058.755) 2 255.2925 255.2925@4.235485 + 553.3343@4.2414975 4.2414975 (554.3416, 1481.96)(555.3425, 845.85) 1 553.3343 553.3343@4.2414975 + 547.5438@4.242497 4.242497 (548.5511, 7044.03) 1 547.5438 547.5438@4.242497 + 603.6061@4.2434964 4.2434964 (604.6134, 12858.31)(605.6161, 5995.87)(606.6195, 1383.0) 1 603.6061 603.6061@4.2434964 + 539.8956@4.246495 4.246495 (540.9029, 1315.5)(541.9025, 867.67) 1 539.8956 539.8956@4.246495 + 285.3032@4.255997 4.255997 (286.3103, 10867.76)(287.31363, 2769.87) 3 285.3032 285.3032@4.255997 + 901.4496@4.2494926 4.2494926 (902.4569, 4680.01)(903.458, 1884.84) 1 901.4496 901.4496@4.2494926 + 900.4474@4.2494926 4.2494926 (901.4547, 4314.41) 1 900.4474 900.4474@4.2494926 + 900.949@4.2514915 4.2514915 (901.9562, 5428.07)(902.9578, 3622.68)(903.958, 1483.97) 1 900.949 900.949@4.2514915 + 589.5902@4.25449 4.25449 (590.5974, 2579.19)(591.6004, 1288.72) 1 589.5902 589.5902@4.25449 + 484.3487@4.2300234 4.2300234 (485.3557, 2639.1873)(486.36404, 1121.615) 4 484.3487 484.3487@4.2300234 + 561.5593@4.2564883 4.2564883 (562.5666, 2588.38)(563.57, 1501.6) 1 561.5593 561.5593@4.2564883 + 311.3553@4.266715 4.266715 (312.36246, 151616.84)(313.3657, 36566.97)(314.36804, 4664.86) 2 311.3553 311.3553@4.266715 + 555.4494@4.2574883 4.2574883 (556.4566, 24125.16)(557.4593, 10071.62)(558.4617, 2424.36)(559.4617, 170.45) 1 555.4494 555.4494@4.2574883 + 325.3705@4.2788095 4.2788095 (326.378, 2191.38)(327.3801, 899.87) 2 325.3705 325.3705@4.2788095 + 547.9028@4.331691 4.331691 (548.9099, 2011.71) 2 547.9028 547.9028@4.331691 + 617.6205@4.262485 4.262485 (618.6278, 1659.18) 1 617.6205 617.6205@4.262485 + 381.4309@4.2654953 4.2654953 (780.8935, 1101.8)(382.4395, 934.905) 2 381.4309 381.4309@4.2654953 + 569.4651@4.264484 4.264484 (570.4724, 132386.97)(571.4754, 49340.72)(572.4784, 11102.47)(573.4812, 1966.25) 1 569.4651 569.4651@4.264484 + 429.3453@4.2684813 4.2684813 (430.3526, 4945.82)(431.3562, 1361.71) 1 429.3453 429.3453@4.2684813 + 441.3814@4.265831 4.265831 (442.3894, 16086.976)(443.3919, 8753.27) 2 441.3814 441.3814@4.265831 + 309.3391@4.274478 4.274478 (310.3464, 4701.4)(311.3506, 1167.42) 1 309.3391 309.3391@4.274478 + 631.6373@4.2764764 4.2764764 (632.6446, 5398.99)(633.6478, 2440.76) 1 631.6373 631.6373@4.2764764 + 767.9079@4.321946 4.321946 (768.9165, 5289.9)(769.9153, 2357.1333)(770.9156, 1060.07) 3 767.9079 767.9079@4.321946 + 767.4071@4.300048 4.300048 (768.41455, 5247.547)(769.4152, 9544.81)(770.4175, 2517.89) 3 767.4071 767.4071@4.300048 + 477.3426@4.2914677 4.2914677 (478.3499, 5644.25)(479.3501, 1699.09) 1 477.3426 477.3426@4.2914677 + 553.3305@4.2914677 4.2914677 (554.3378, 2993.86)(555.34, 1388.05) 1 553.3305 553.3305@4.2914677 + 491.4812@4.2934666 4.2934666 (492.4885, 1716.94)(493.4909, 840.05) 1 491.4812 491.4812@4.2934666 + 864.4391@4.306628 4.306628 (865.44653, 4142.73)(866.4472, 2267.73) 2 864.4391 864.4391@4.306628 + 612.3542@4.2974644 4.2974644 (613.3615, 4142.03)(614.3636, 2399.93) 1 612.3542 612.3542@4.2974644 + 318.1407@4.3076086 4.3076086 (319.14816, 2795.0078)(320.1513, 1012.296) 9 318.1407 318.1407@4.3076086 + C16 H35 N O 4.3051367 [ C16 H35 N O, mfg=91.28, overall=91.28 ] (515.5506, 6081.51)(516.5541, 2345.51)(258.27905, 51854.797)(259.28214, 9895.747)(260.28525, 3900.59) 17 257.2717 C16 H35 N O + 863.9393@4.3086257 4.3086257 (864.9473, 5248.29)(865.9468, 3296.025)(866.948, 1365.95) 2 863.9393 863.9393@4.3086257 + 612.8529@4.298464 4.298464 (613.8602, 4066.13)(614.8607, 1162.85) 1 612.8529 612.8529@4.298464 + 863.438@4.306533 4.306533 (864.44543, 2455.3425)(865.4481, 1037.15) 4 863.438 863.438@4.306533 + 403.3301@4.3004622 4.3004622 (404.3373, 4338.76)(405.341, 1255.96)(386.3275, 877.09) 1 403.3301 403.3301@4.3004622 + 585.4607@4.302461 4.302461 (586.468, 2466.67)(587.4679, 1679.39) 1 585.4607 585.4607@4.302461 + 411.3699@4.303461 4.303461 (412.3772, 2560.89)(413.3842, 763.9) 1 411.3699 411.3699@4.303461 + 513.4387@4.303461 4.303461 (514.4459, 12157.77)(515.4488, 4484.62)(516.4456, 1317.29) 1 513.4387 513.4387@4.303461 + 409.3553@4.311456 4.311456 (410.3626, 3997.36)(411.3654, 1272.32) 1 409.3553 409.3553@4.311456 + 427.3654@4.3134546 4.3134546 (428.3727, 3930.73)(429.3727, 972.34) 1 427.3654 427.3654@4.3134546 + 425.3507@4.322449 4.322449 (426.3579, 2193.58) 1 425.3507 425.3507@4.322449 + 347.3187@4.330006 4.330006 (348.3253, 2623.9666)(349.329, 843.61334)(350.3258, 141.68) 3 347.3187 347.3187@4.330006 + 549.9123@4.3817544 4.3817544 (550.92017, 1703.5668) 3 549.9123 549.9123@4.3817544 + 639.8954@4.294609 4.294609 (640.90283, 1164.66) 2 639.8954 639.8954@4.294609 + 555.4494@4.328446 4.328446 (556.4567, 36330.95)(557.4593, 15164.71)(558.4624, 3983.11)(559.4536, 713.02) 1 555.4494 555.4494@4.328446 + 321.1835@4.328446 4.328446 (322.1908, 10058.13)(323.1932, 2544.2) 1 321.1835 321.1835@4.328446 + 671.8756@4.330445 4.330445 (672.8829, 7580.15)(673.884, 2607.67) 1 671.8756 671.8756@4.330445 + 671.3767@4.330445 4.330445 (672.384, 8982.42)(673.3859, 5022.96)(674.3871, 1116.01) 1 671.3767 671.3767@4.330445 + C13 H29 N 4.3371897 [ C13 H29 N, mfg=97.27, overall=97.27 ] (200.2372, 32949.68)(201.24051, 5204.3203)(202.2431, 1246.5549) 18 199.2299 C13 H29 N + 470.3334@4.3344426 4.3344426 (471.3407, 6673.75)(472.3438, 1497.82) 1 470.3334 470.3334@4.3344426 + 403.3293@4.3344426 4.3344426 (404.3366, 3702.51)(405.3386, 907.02) 1 403.3293 403.3293@4.3344426 + 513.4026@4.3354416 4.3354416 (514.4098, 30875.39)(515.4128, 9193.85)(516.4195, 3009.78) 1 513.4026 513.4026@4.3354416 + 470.8358@4.3364415 4.3364415 (471.8431, 4112.26) 1 470.8358 470.8358@4.3364415 + 387.3338@4.3364415 4.3364415 (388.3411, 6959.96)(389.3448, 1986.24) 1 387.3338 387.3338@4.3364415 + 997.4792@4.340439 4.340439 (998.4864, 1413.66)(999.4898, 563.77) 1 997.4792 997.4792@4.340439 + 383.342@4.340439 4.340439 (384.3493, 4611.84)(385.3546, 1469.91) 1 383.342 383.342@4.340439 + 583.4512@4.3434377 4.3434377 (584.4585, 3318.05)(585.4576, 1275.95)(586.4647, 1610.72) 1 583.4512 583.4512@4.3434377 + 485.4071@4.3444366 4.3444366 (486.4144, 1732.61) 1 485.4071 485.4071@4.3444366 + 399.3336@4.3578777 4.3578777 (400.34116, 3827.3052)(401.34393, 928.36) 2 399.3336 399.3336@4.3578777 + 960.4724@4.349434 4.349434 (961.4797, 2782.59)(962.4786, 1311.68) 1 960.4724 960.4724@4.349434 + 826.4289@4.370005 4.370005 (827.4368, 3427.56)(828.4392, 1468.7999)(829.4394, 1097.88) 4 826.4289 826.4289@4.370005 + 827.4304@4.353431 4.353431 (828.4377, 9237.41)(829.4383, 2571.47) 1 827.4304 827.4304@4.353431 + 499.4232@4.3544307 4.3544307 (500.4305, 3219.67)(501.4327, 1019.27) 1 499.4232 499.4232@4.3544307 + 520.8781@4.35543 4.35543 (521.8853, 4105.47)(522.8857, 791.73) 1 520.8781 520.8781@4.35543 + 826.9302@4.3633037 4.3633037 (827.93744, 4839.9663)(828.9383, 2609.4768)(829.9382, 1259.04) 3 826.9302 826.9302@4.3633037 + 520.3771@4.35543 4.35543 (521.3844, 8174.35)(522.3878, 2286.14) 1 520.3771 520.3771@4.35543 + 527.4182@4.3634257 4.3634257 (528.4254, 53439.33)(529.4287, 18624.75)(530.4321, 3935.84) 1 527.4182 527.4182@4.3634257 + 229.2407@4.368542 4.368542 (459.4878, 33135.38)(460.4912, 10194.98)(461.494, 1633.45)(230.24791, 156615.78)(231.2512, 25195.252)(232.2541, 2623.8948)(233.2563, 826.47) 13 229.2407 229.2407@4.368542 + C18 H38 N4 O2 4.3744493 [ C18 H38 N4 O2, mfg=67.73, overall=67.73 ] (343.3062, 7168.4053)(344.3116, 2116.9526)(345.3131, 1489.09) 14 342.299 C18 H38 N4 O2 + 367.2218@4.375844 4.375844 (368.22928, 3853.901)(369.234, 1134.527) 13 367.2218 367.2218@4.375844 + 730.8982@4.3731647 4.3731647 (731.9053, 5458.295)(732.90576, 2324.085)(733.9069, 812.43) 2 730.8982 730.8982@4.3731647 + 605.5858@4.37342 4.37342 (606.593, 5162.23)(607.5951, 2117.53)(608.6006, 744.55) 1 605.5858 605.5858@4.37342 + 730.3973@4.427764 4.427764 (731.4043, 6664.59)(732.40576, 3767.405)(733.4083, 2292.47) 2 730.3973 730.3973@4.427764 + 1034.4886@4.37342 4.37342 (1035.4958, 1063.44) 1 1034.4886 1034.4886@4.37342 + 922.9611@4.3904495 4.3904495 (923.96844, 2986.285)(924.9717, 1659.245)(925.9718, 726.15) 2 922.9611 922.9611@4.3904495 + 463.3257@4.3920965 4.3920965 (464.33316, 7283.6396)(465.3362, 1982.61) 2 463.3257 463.3257@4.3920965 + 633.6166@4.380416 4.380416 (634.6239, 6787.96)(635.627, 2826.99)(636.6306, 1127.59) 1 633.6166 633.6166@4.380416 + 909.6234@4.3814154 4.3814154 (910.6306, 2113.28)(911.6317, 1142.83) 1 909.6234 909.6234@4.3814154 + 463.8269@4.3814154 4.3814154 (464.8341, 5080.38) 1 463.8269 463.8269@4.3814154 + 922.4606@4.3814154 4.3814154 (923.4679, 2929.82)(924.4692, 3438.18)(925.468, 1533.8) 1 922.4606 922.4606@4.3814154 + 577.5552@4.3834143 4.3834143 (578.5625, 3366.7)(579.5632, 1874.48) 1 577.5552 577.5552@4.3834143 + 577.3318@4.3316593 4.3316593 (578.33905, 1776.8151) 2 577.3318 577.3318@4.3316593 + 596.4769@4.39141 4.39141 (597.4842, 1721.75)(598.488, 1152.23)(599.4896, 1149.45) 1 596.4769 596.4769@4.39141 + 467.2919@4.3944077 4.3944077 (468.2992, 1539.04) 1 467.2919 467.2919@4.3944077 + 549.5214@4.399405 4.399405 (550.5287, 2470.39)(551.5344, 1070.7) 1 549.5214 549.5214@4.399405 + 629.3983@4.402404 4.402404 (630.4056, 2315.11) 1 629.3983 629.3983@4.402404 + 499.3865@4.4044023 4.4044023 (500.3938, 8268.33)(501.3973, 2864.14) 1 499.3865 499.3865@4.4044023 + 453.3303@4.4074006 4.4074006 (454.3376, 4251.14)(455.3407, 1606.07) 1 453.3303 453.3303@4.4074006 + 661.6481@4.4093995 4.4093995 (662.6553, 3672.04)(663.6596, 1841.21) 1 661.6481 661.6481@4.4093995 + 541.4335@4.410399 4.410399 (542.4408, 14102.01)(543.4438, 5563.22)(544.4464, 2172.06) 1 541.4335 541.4335@4.410399 + 506.3593@4.375492 4.375492 (507.37054, 1481.2324)(524.3923, 6985.36)(525.3946, 2066.13) 4 506.3593 506.3593@4.375492 + 789.4202@4.4328637 4.4328637 (790.42865, 6619.4297)(791.428, 9010.89)(792.4297, 2711.49) 2 789.4202 789.4202@4.4328637 + 885.9523@4.4332786 4.4332786 (886.9602, 2848.2898)(887.9592, 1815.1266)(888.9605, 1143.01) 4 885.9523 885.9523@4.4332786 + 395.3394@4.423392 4.423392 (396.3469, 2202.41)(397.3487, 645.16)(413.3727, 1038.89) 1 395.3394 395.3394@4.423392 + 886.4535@4.434358 4.434358 (887.4601, 4214.555)(888.4609, 2654.96) 2 886.4535 886.4535@4.434358 + 789.9212@4.455162 4.455162 (790.92487, 4113.995)(791.927, 1955.0325)(792.9299, 1123.4) 4 789.9212 789.9212@4.455162 + 569.4195@4.4859166 4.4859166 (570.4249, 2925.3901) 2 569.4195 569.4195@4.4859166 + 885.4512@4.460665 4.460665 (886.4579, 2113.12)(887.4603, 918.69495) 4 885.4512 885.4512@4.460665 + 445.3398@4.4253902 4.4253902 (446.3471, 8412.33)(447.349, 3836.75) 1 445.3398 445.3398@4.4253902 + 455.3965@4.428389 4.428389 (456.4038, 6130.32)(457.4072, 2407.6) 1 455.3965 455.3965@4.428389 + 638.5215@4.4363847 4.4363847 (639.5287, 2129.97)(640.5333, 1671.04) 1 638.5215 638.5215@4.4363847 + 443.3957@4.4393826 4.4393826 (444.403, 4482.26)(445.4066, 1550.96) 1 443.3957 443.3957@4.4393826 + 634.867@4.44438 4.44438 (635.8743, 3593.52)(636.8748, 1162.65) 1 634.867 634.867@4.44438 + 634.365@4.4453793 4.4453793 (635.3722, 6435.35)(636.3769, 4141.93) 1 634.365 634.365@4.4453793 + 369.3246@4.4463787 4.4463787 (370.3318, 4732.87) 1 369.3246 369.3246@4.4463787 + 441.381@4.447378 4.447378 (442.3883, 3346.69)(443.3928, 1496.74) 1 441.381 441.381@4.447378 + 575.8451@4.448378 4.448378 (576.8523, 2191.97) 1 575.8451 575.8451@4.448378 + 201.2092@4.4526505 4.4526505 (202.21625, 2623.3396)(184.2047, 533.26) 16 201.2092 201.2092@4.4526505 + 513.4022@4.451376 4.451376 (514.4094, 23173.71)(515.4129, 7947.03)(516.4183, 2080.75) 1 513.4022 513.4022@4.451376 + 473.3885@4.451376 4.451376 (474.3958, 2212.6)(475.3944, 947.88)(476.3897, 1840.13) 1 473.3885 473.3885@4.451376 + 357.3236@4.455374 4.455374 (358.3309, 12154.44)(359.3338, 3031.41) 1 357.3236 357.3236@4.455374 + 499.3561@4.458372 4.458372 (500.3634, 4272.71)(501.3652, 1158.26)(502.3699, 2202.81) 1 499.3561 499.3561@4.458372 + 471.3738@4.461371 4.461371 (472.3811, 2503.35)(473.3878, 1437.96) 1 471.3738 471.3738@4.461371 + 693.3888@4.464369 4.464369 (694.3961, 9152.88)(695.3965, 6372.59)(696.3959, 1747.29) 1 693.3888 693.3888@4.464369 + 693.889@4.467367 4.467367 (694.8962, 7874.65)(695.8977, 1927.53) 1 693.889 693.889@4.467367 + 305.2474@4.469366 4.469366 (611.4981, 1685.32)(612.5042, 771.38)(306.2559, 1130.02) 1 305.2474 305.2474@4.469366 + 458.274@4.485835 4.485835 (459.28024, 3379.06)(460.28384, 1243.615)(481.26367, 1835.24) 2 458.274 458.274@4.485835 + 185.105@4.4901657 4.4901657 (186.11234, 8252.555)(187.11862, 1213.0475)(188.1178, 842.18) 10 185.105 185.105@4.4901657 + 399.3681@4.478361 4.478361 (400.3754, 4214.38)(401.3818, 1546.14) 1 399.3681 399.3681@4.478361 + 425.3496@4.4793606 4.4793606 (426.3569, 19789.57)(427.3608, 5190.98) 1 425.3496 425.3496@4.4793606 + 848.4423@4.494586 4.494586 (849.4506, 3598.0469)(850.45, 4643.495)(851.4514, 2244.1) 3 848.4423 848.4423@4.494586 + 848.9434@4.5048814 4.5048814 (849.9503, 3645.3076)(850.9507, 2064.0752)(851.9538, 1674.39) 4 848.9434 848.9434@4.5048814 + 723.4246@4.494219 4.494219 (724.43286, 4202.6567)(725.437, 1527.0034) 3 723.4246 723.4246@4.494219 + 982.4845@4.4833584 4.4833584 (983.4918, 2119.01)(984.492, 993.62) 1 982.4845 982.4845@4.4833584 + 240.2197@4.4879785 4.4879785 (241.22725, 1603.255) 6 240.2197 240.2197@4.4879785 + C17 H35 N4 O3 4.5013633 [ C17 H35 N4 O3, mfg=77.63, overall=77.63 ] (344.27856, 4700.7124)(345.28183, 1245.3038) 28 343.2715 C17 H35 N4 O3 + 210.0797@4.502168 4.502168 (211.08731, 3594.5923)(212.09021, 845.87335) 5 210.0797 210.0797@4.502168 + 429.3096@4.4953523 4.4953523 (430.3169, 2052.56)(431.3192, 728.06) 1 429.3096 429.3096@4.4953523 + 485.3707@4.4963512 4.4963512 (486.378, 3399.21)(487.3826, 1128.14) 1 485.3707 485.3707@4.4963512 + 752.41@4.5394793 4.5394793 (753.4169, 3966.4824)(754.4197, 3528.1602)(755.418, 2199.37) 4 752.41 752.41@4.5394793 + 752.9115@4.529157 4.529157 (753.9185, 4915.6367)(754.91797, 2871.295) 3 752.9115 752.9115@4.529157 + 439.3143@4.5053463 4.5053463 (440.3215, 6131.3)(441.3223, 2144.29) 1 439.3143 439.3143@4.5053463 + 945.4748@4.5063457 4.5063457 (946.4821, 3688.84)(947.4815, 1623.25) 1 945.4748 945.4748@4.5063457 + 944.4728@4.5063457 4.5063457 (945.48, 2668.93) 1 944.4728 944.4728@4.5063457 + 449.3269@4.5063457 4.5063457 (450.3342, 12638.23)(451.338, 3389.94)(452.3328, 3970.78) 1 449.3269 449.3269@4.5063457 + 399.3343@4.5063457 4.5063457 (400.3416, 67990.7)(401.3449, 16879.1) 1 399.3343 399.3343@4.5063457 + 944.9765@4.508345 4.508345 (945.9838, 3195.78)(946.9834, 2370.81)(947.9799, 740.25) 1 944.9765 944.9765@4.508345 + C13 H25 N 4.516048 [ C13 H25 N, mfg=63.69, overall=63.69 ] (196.20561, 3829.5068)(197.20801, 1052.7987) 25 195.1983 C13 H25 N + 542.8925@4.511343 4.511343 (543.8998, 3957.01) 1 542.8925 542.8925@4.511343 + 542.3896@4.5123425 4.5123425 (543.3969, 6906.54)(544.411, 1814.39) 1 542.3896 542.3896@4.5123425 + 392.2482@4.524518 4.524518 (393.255, 2780.842)(394.2563, 1176.74)(395.2433, 332.19) 5 392.2482 392.2482@4.524518 + 387.3343@4.5163407 4.5163407 (388.3416, 25310.57)(389.3447, 5675.01)(390.3471, 1129.58) 1 387.3343 387.3343@4.5163407 + 527.4177@4.537329 4.537329 (528.425, 5940.75)(529.4279, 2249.1)(530.4261, 994.07) 1 527.4177 527.4177@4.537329 + 907.4648@4.5585904 4.5585904 (908.4724, 3111.66)(909.4733, 1286.29)(910.4751, 936.58) 2 907.4648 907.4648@4.5585904 + 908.4658@4.547324 4.547324 (909.4731, 4524.7)(910.4735, 1402.79) 1 908.4658 908.4658@4.547324 + 811.934@4.554396 4.554396 (812.9416, 4995.7134)(813.94196, 2428.1533)(814.9417, 1081.22) 3 811.934 811.934@4.554396 + 907.9655@4.5483236 4.5483236 (908.9728, 4894.73)(909.9734, 3270.25)(910.9729, 1031.57) 1 907.9655 907.9655@4.5483236 + 811.4325@4.6041493 4.6041493 (812.43976, 4229.527)(813.4419, 3476.1467)(814.4424, 3201.04) 3 811.4325 811.4325@4.6041493 + 485.8394@4.5503225 4.5503225 (486.8466, 3079.74) 1 485.8394 485.8394@4.5503225 + 485.3387@4.5503206 4.5503206 (486.34564, 4073.7998)(487.348, 1784.01) 2 485.3387 485.3387@4.5503206 + 371.3035@4.5573187 4.5573187 (372.3108, 17963.52)(373.3137, 4810.48) 1 371.3035 371.3035@4.5573187 + 443.3602@4.558318 4.558318 (444.3675, 4203.98)(445.3716, 1320.28) 1 443.3602 443.3602@4.558318 + 612.9479@4.5726833 4.5726833 (613.9552, 1532.115)(614.9561, 665.0) 2 612.9479 612.9479@4.5726833 + 591.9284@4.5663137 4.5663137 (592.9357, 3023.63) 1 591.9284 591.9284@4.5663137 + 421.2944@4.5673137 4.5673137 (422.3016, 1858.57)(423.3068, 622.66)(424.3019, 1015.74) 1 421.2944 421.2944@4.5673137 + 528.3741@4.587659 4.587659 (529.38257, 1891.83) 2 528.3741 528.3741@4.587659 + 656.3789@4.582306 4.582306 (657.3862, 4976.15)(658.3882, 2417.83) 1 656.3789 656.3789@4.582306 + 499.3863@4.582306 4.582306 (500.3936, 11002.39)(501.3973, 4138.45) 1 499.3863 499.3863@4.582306 + 656.8799@4.5843043 4.5843043 (657.8872, 3900.23)(658.8863, 1280.18) 1 656.8799 656.8799@4.5843043 + 597.8568@4.589302 4.589302 (598.864, 2783.46)(599.8645, 860.62) 1 597.8568 597.8568@4.589302 + 597.3559@4.591301 4.591301 (598.3632, 4164.24)(599.3654, 1699.24) 1 597.3559 597.3559@4.591301 + 345.2871@4.5933003 4.5933003 (346.2944, 11613.57)(347.2985, 2823.68) 1 345.2871 345.2871@4.5933003 + 441.3441@4.5943 4.5943 (442.3513, 4799.07)(443.3539, 1411.6) 1 441.3441 441.3441@4.5943 + 673.4245@4.5972977 4.5972977 (674.4318, 1712.09)(675.4307, 821.05) 1 673.4245 673.4245@4.5972977 + 715.902@4.5972977 4.5972977 (716.9093, 8276.71)(717.9096, 2758.61) 1 715.902 715.902@4.5972977 + 715.4038@4.598297 4.598297 (716.4111, 7053.16)(717.4119, 4983.85)(718.4137, 1282.13) 1 715.4038 715.4038@4.598297 + 871.4563@4.603295 4.603295 (872.4636, 7516.62)(873.4636, 2399.43) 1 871.4563 871.4563@4.603295 + 870.9551@4.6179576 4.6179576 (871.9643, 3995.8066)(872.9632, 1991.9233)(873.9621, 1239.06) 3 870.9551 870.9551@4.6179576 + 870.455@4.6093063 4.6093063 (871.4629, 2725.0066)(872.46277, 1191.585)(873.4648, 740.31) 3 870.455 870.455@4.6093063 + Otonecine + 4.6158233 4.6158233 C10356 Otonecine [ C9 H15 N O3, mfg=76.45, db=76.43, overall=76.44, CAS ID=6887-34-9, KEGG ID=C10356, METLIN ID=68272 ] 6887-34-9 (388.248, 4392.64)(389.2455, 611.64)(390.259, 801.13)(186.11238, 14327.187)(187.11696, 2256.545)(168.1018, 1289.05)(208.0958, 964.01) 24 185.105 Otonecine + 4.6158233 + 612.4708@4.61229 4.61229 (613.4781, 2023.91)(614.4757, 1719.27) 1 612.4708 612.4708@4.61229 + 1003.9964@4.61329 4.61329 (1005.0037, 1425.88)(1006.0039, 921.0) 1 1003.9964 1003.9964@4.61329 + 453.3921@4.616288 4.616288 (454.3994, 2663.68)(455.4028, 1320.58) 1 453.3921 453.3921@4.616288 + C9 H2 Cl2 N2 O7 S5 4.6337132 [ C9 H2 Cl2 N2 O7 S5, mfg=47.07, overall=47.07 ] (982.5596, 2729.475)(480.7924, 8181.9053)(481.79547, 1314.929)(482.7901, 12519.073)(483.79596, 1243.7611)(484.78842, 4138.93)(485.79358, 534.08997)(502.774, 10927.09) 17 479.7853 C9 H2 Cl2 N2 O7 S5 + 979.5635@4.6381125 4.6381125 (980.5699, 1521.3324)(981.5879, 653.69745)(982.5598, 4571.3237)(983.56384, 800.87744)(984.55725, 5433.09)(985.56067, 1012.375)(986.55536, 4229.2236)(987.55884, 784.73663) 8 979.5635 979.5635@4.6381125 + 481.7827@4.635923 4.635923 (981.5965, 726.59)(986.55554, 1833.6951)(482.79028, 2737.7856)(483.8043, 702.56)(484.7874, 1693.05) 7 481.7827 481.7827@4.635923 + Astrasieversianin XVI 4.636721 C08925 Astrasieversianin XVI [ C47 H78 O18, db=71.05, overall=71.05, CAS ID=101843-82-7, KEGG ID=C08925, METLIN ID=67274 ] 101843-82-7 (931.52686, 7076.421)(932.53107, 3809.1912)(933.53925, 2171.0288)(934.5477, 883.8641) 33 930.5202 Astrasieversianin XVI + 967.4891@4.630281 4.630281 (968.4964, 2546.0)(969.4953, 1209.86) 1 967.4891 967.4891@4.630281 + 471.3567@4.630281 4.630281 (472.364, 2834.02)(473.3597, 1284.33) 1 471.3567 471.3567@4.630281 + 774.4249@4.6470604 4.6470604 (775.43146, 3249.365)(776.4364, 2277.8374)(777.433, 1969.49) 4 774.4249 774.4249@4.6470604 + 774.924@4.630281 4.630281 (775.9313, 8641.69)(776.9326, 3520.55) 1 774.924 774.924@4.630281 + 966.9878@4.642408 4.642408 (967.99445, 1981.395)(968.995, 1408.39)(969.9948, 862.43) 2 966.9878 966.9878@4.642408 + 457.305@4.6352787 4.6352787 (458.3123, 9264.2)(459.3172, 3117.61)(460.3171, 947.56) 1 457.305 457.305@4.6352787 + 505.3257@4.6455226 4.6455226 (506.33096, 1436.3301)(523.35913, 1800.925)(524.3618, 555.1) 4 505.3257 505.3257@4.6455226 + 445.3752@4.6432743 4.6432743 (446.3825, 1923.65)(447.383, 1098.47) 1 445.3752 445.3752@4.6432743 + 571.7528@4.645273 4.645273 (572.7601, 1016.3) 1 571.7528 571.7528@4.645273 + 564.4037@4.6552687 4.6552687 (565.4109, 4941.87)(566.412, 1656.38) 1 564.4037 564.4037@4.6552687 + 514.3605@4.6552687 4.6552687 (515.3678, 2239.26) 1 514.3605 514.3605@4.6552687 + 317.2563@4.656268 4.656268 (318.2635, 5247.54)(319.2659, 1546.67)(320.2743, 591.29) 1 317.2563 317.2563@4.656268 + 564.9048@4.6592665 4.6592665 (565.912, 3347.77) 1 564.9048 564.9048@4.6592665 + 154.1464@4.6652637 4.6652637 (155.1537, 13681.16)(156.1569, 1995.75) 1 154.1464 154.1464@4.6652637 + 929.4766@4.668262 4.668262 (930.4839, 3233.74) 1 929.4766 929.4766@4.668262 + 929.9784@4.7145166 4.7145166 (930.9846, 2182.145)(931.9863, 2849.3)(932.9863, 835.47) 2 929.9784 929.9784@4.7145166 + 833.9476@4.6803284 4.6803284 (834.95483, 5531.08)(835.95544, 2425.985)(836.9543, 982.47) 2 833.9476 833.9476@4.6803284 + 833.4459@4.6919003 4.6919003 (834.45294, 3581.1897)(835.45526, 3292.9236)(836.4545, 2540.01) 3 833.4459 833.4459@4.6919003 + 628.5411@4.68803 4.68803 (629.5481, 3572.9731)(630.552, 1481.33)(631.55786, 734.10004) 10 628.5411 628.5411@4.68803 + 259.215@4.615653 4.615653 (260.22186, 2687.755)(261.231, 727.42) 2 259.215 259.215@4.615653 + 293.1768@4.690251 4.690251 (294.1841, 2687.69) 1 293.1768 293.1768@4.690251 + 614.9498@4.710212 4.710212 (615.9571, 81581.29)(616.95996, 9760.805)(617.9528, 1267.6833) 6 614.9498 614.9498@4.710212 + 634.9611@4.7112374 4.7112374 (635.96857, 2185.142)(636.9696, 1116.7476) 5 634.9611 634.9611@4.7112374 + 443.2876@4.701246 4.701246 (444.2949, 5474.95)(445.2988, 2032.28)(446.2994, 646.57) 1 443.2876 443.2876@4.701246 + 767.4516@4.7106414 4.7106414 (768.46094, 2219.2466)(769.46564, 935.02997) 3 767.4516 767.4516@4.7106414 + 507.3518@4.7032447 4.7032447 (508.3591, 3354.12)(509.3598, 986.51) 1 507.3518 507.3518@4.7032447 + 613.4422@4.7062435 4.7062435 (614.4494, 4206.85) 1 613.4422 613.4422@4.7062435 + 613.9435@4.707243 4.707243 (614.9507, 2956.23) 1 613.9435 613.9435@4.707243 + 507.8526@4.709242 4.709242 (508.8598, 1832.39) 1 507.8526 507.8526@4.709242 + 396.7427@4.7217693 4.7217693 (397.74988, 4270.674)(398.75195, 1097.052) 9 396.7427 396.7427@4.7217693 + 678.3918@4.715239 4.715239 (679.3991, 4667.51)(680.4013, 3269.12) 1 678.3918 678.3918@4.715239 + PI(18:1(9Z)/18:1(9Z)) 4.729662 C00626 PI(18:1(9Z)/18:1(9Z)) [ C45 H83 O13 P, db=69.07, overall=69.07, KEGG ID=C00626, HMP ID=HMDB09837, METLIN ID=61222 ] (863.56323, 3482.3464)(864.5632, 1844.018)(865.5637, 927.9587)(880.59, 2336.6567)(881.59406, 1224.6404)(882.59686, 850.5733)(885.54584, 4282.346)(886.5491, 2361.1104)(887.5576, 1559.7041)(888.5604, 854.62) 32 862.5561 PI(18:1(9Z)/18:1(9Z)) HMDB09837 + 678.8928@4.717238 4.717238 (679.9, 4366.53)(680.9018, 1425.22) 1 678.8928 678.8928@4.717238 + 892.969@4.732105 4.732105 (893.9758, 2643.0369)(894.9763, 2203.025) 3 892.969 892.969@4.732105 + 892.4693@4.760723 4.760723 (893.47253, 1860.6025)(894.47656, 986.13007) 4 892.4693 892.4693@4.760723 + 186.0795@4.735252 4.735252 (187.08682, 6368.831)(188.09178, 1124.5189) 10 186.0795 186.0795@4.735252 + 737.9154@4.726234 4.726234 (738.9227, 5824.85)(739.9231, 2529.26) 1 737.9154 737.9154@4.726234 + 737.4153@4.726234 4.726234 (738.4226, 7435.03)(739.4229, 5073.44)(740.4247, 1394.98) 1 737.4153 737.4153@4.726234 + 619.3692@4.7272334 4.7272334 (620.3765, 3761.68)(621.3772, 1878.86) 1 619.3692 619.3692@4.7272334 + 511.3714@4.73423 4.73423 (512.3787, 2013.35) 1 511.3714 511.3714@4.73423 + 289.2244@4.740227 4.740227 (290.2316, 2507.35) 1 289.2244 289.2244@4.740227 + C29 H62 N O11 4.75626 [ C29 H62 N O11, mfg=92.55, overall=92.55 ] (601.43964, 59603.586)(602.4425, 16230.038)(603.4449, 1566.235) 19 600.4323 C29 H62 N O11 + 529.3603@4.7462244 4.7462244 (530.3675, 1651.0)(531.3688, 764.94) 1 529.3603 529.3603@4.7462244 + 989.5012@4.747224 4.747224 (990.5084, 1819.2)(991.5094, 1111.97) 1 989.5012 989.5012@4.747224 + 796.4365@4.762146 4.762146 (797.44385, 4482.8896)(798.44556, 3446.605)(799.4458, 1510.01) 2 796.4365 796.4365@4.762146 + 989.0012@4.7542205 4.7542205 (990.0085, 1849.02)(991.0101, 1095.24) 1 989.0012 989.0012@4.7542205 + 796.9377@4.752391 4.752391 (797.9446, 4703.8047)(798.9432, 2247.22)(799.9444, 886.69) 2 796.9377 796.9377@4.752391 + 785.4955@4.821169 4.821169 (786.50183, 1794.9974)(787.50665, 952.63666)(788.4928, 1071.17)(808.487, 986.85) 4 785.4955 785.4955@4.821169 + 485.3706@4.774211 4.774211 (486.3779, 3836.88)(487.3811, 1966.63) 1 485.3706 485.3706@4.774211 + 429.2725@4.7134643 4.7134643 (430.2844, 2042.625)(431.29108, 948.975) 2 429.2725 429.2725@4.7134643 + 951.9927@4.7882047 4.7882047 (953.0, 2754.32)(953.9986, 1583.59) 1 951.9927 951.9927@4.7882047 + 855.4604@4.8048587 4.8048587 (856.4699, 2473.72)(857.4678, 2530.1365)(858.4678, 1963.63) 3 855.4604 855.4604@4.8048587 + 855.9607@4.794931 4.794931 (856.9676, 2880.54)(857.9671, 3136.95)(858.9671, 706.22) 3 855.9607 855.9607@4.794931 + 586.9179@4.7962008 4.7962008 (587.9252, 2602.09) 1 586.9179 586.9179@4.7962008 + 586.416@4.7972007 4.7972007 (587.4232, 4226.31)(588.4238, 1445.23) 1 586.416 586.416@4.7972007 + 243.2564@4.8011985 4.8011985 (244.2637, 1685.94) 1 243.2564 243.2564@4.8011985 + 726.9446@4.8310895 4.8310895 (727.952, 3388.545)(728.95374, 823.4029) 10 726.9446 726.9446@4.8310895 + 497.3564@4.818191 4.818191 (498.3637, 3021.81)(499.3677, 1335.42) 1 497.3564 497.3564@4.818191 + 915.4815@4.8331842 4.8331842 (916.4888, 3985.2)(917.4912, 1593.9) 1 915.4815 915.4815@4.8331842 + 1255.893@4.8506284 4.8506284 (1256.9001, 1902.3712)(1257.9038, 1866.2025)(1258.9083, 899.63995) 8 1255.893 1255.893@4.8506284 + 656.9739@4.862468 4.862468 (657.9816, 2054.4573)(658.9828, 1150.138) 7 656.9739 656.9739@4.862468 + 635.9555@4.836183 4.836183 (636.9627, 2974.53) 1 635.9555 635.9555@4.836183 + 914.9816@4.836183 4.836183 (915.9888, 4252.99)(916.9916, 1999.1) 1 914.9816 914.9816@4.836183 + 914.4821@4.838182 4.838182 (915.4894, 3493.69) 1 914.4821 914.4821@4.838182 + 635.4529@4.838182 4.838182 (636.4602, 3909.67) 1 635.4529 635.4529@4.838182 + 700.9062@4.8421803 4.8421803 (701.9135, 3891.2)(702.914, 1410.82) 1 700.9062 700.9062@4.8421803 + 700.4063@4.84318 4.84318 (701.4136, 3830.24)(702.4153, 2228.32) 1 700.4063 700.4063@4.84318 + 759.4319@4.845179 4.845179 (760.4392, 5512.56)(761.4385, 4317.74)(762.4365, 1166.85) 1 759.4319 759.4319@4.845179 + 759.9291@4.847178 4.847178 (760.9364, 5628.29)(761.9369, 1996.28) 1 759.9291 759.9291@4.847178 + 529.3643@4.8491774 4.8491774 (530.3716, 2250.58) 1 529.3643 529.3643@4.8491774 + 641.3817@4.859173 4.859173 (642.389, 4552.43)(643.3935, 1877.94) 1 641.3817 641.3817@4.859173 + 641.8843@4.8601723 4.8601723 (642.8915, 2399.4) 1 641.8843 641.8843@4.8601723 + 818.9509@4.867169 4.867169 (819.9581, 7418.52)(820.9591, 3370.64) 1 818.9509 818.9509@4.867169 + 818.4495@4.888902 4.888902 (819.45667, 2128.27)(820.45874, 2143.11)(821.4675, 1442.0) 5 818.4495 818.4495@4.888902 + 642.959@4.883613 4.883613 (643.9655, 2344.1833)(644.96643, 1145.885) 6 642.959 642.959@4.883613 + 643.4605@4.874166 4.874166 (644.4678, 3473.01) 1 643.4605 643.4605@4.874166 + 1227.8616@4.8888397 4.8888397 (1228.8685, 2048.0134)(1229.8738, 1604.572)(1230.8757, 1037.44) 6 1227.8616 1227.8616@4.8888397 + 271.251@4.889169 4.889169 (272.2584, 4038.8835)(273.25946, 904.99) 3 271.251 271.251@4.889169 + 329.3029@4.8894563 4.8894563 (659.6129, 1150.915)(330.31006, 2214.0786)(331.3151, 753.94) 7 329.3029 329.3029@4.8894563 + 855.5213@4.900537 4.900537 (856.5286, 2304.3)(857.5314, 1178.4258)(858.5315, 1184.4099) 7 855.5213 855.5213@4.900537 + 370.355@4.8871603 4.8871603 (371.3622, 1645.2)(372.3613, 426.29) 1 370.355 370.355@4.8871603 + 436.2745@4.8972974 4.8972974 (437.28122, 4999.222)(438.2831, 1514.2667)(439.2807, 653.77) 11 436.2745 436.2745@4.8972974 + 414.755@4.895157 4.895157 (415.7623, 925.73) 1 414.755 414.755@4.895157 + 974.0051@4.895157 4.895157 (975.0124, 1764.67)(976.0111, 1464.38) 1 974.0051 974.0051@4.895157 + 877.4716@4.908274 4.908274 (878.4797, 2480.0466)(879.48267, 1795.9166)(880.47876, 976.145) 3 877.4716 877.4716@4.908274 + 877.9733@4.9083185 4.9083185 (878.98047, 2929.025)(879.9821, 1577.85)(880.9813, 539.05) 2 877.9733 877.9733@4.9083185 + 973.5038@4.8981557 4.8981557 (974.5111, 2038.34)(975.5122, 1804.01)(976.5121, 959.82) 1 973.5038 973.5038@4.8981557 + 501.3322@4.9041533 4.9041533 (502.3395, 6161.08)(503.3413, 1714.5) 1 501.3322 501.3322@4.9041533 + 483.341@4.9151487 4.9151487 (484.3483, 4422.36)(485.351, 1355.69) 1 483.341 483.341@4.9151487 + 317.2199@4.9151487 4.9151487 (318.2272, 4636.97)(319.2298, 1414.49) 1 317.2199 317.2199@4.9151487 + 608.4292@4.919147 4.919147 (609.4365, 3303.92)(610.4373, 1159.71) 1 608.4292 608.4292@4.919147 + 608.9296@4.921146 4.921146 (609.9369, 2413.0) 1 608.9296 608.9296@4.921146 + 582.3612@4.9241447 4.9241447 (583.3685, 1769.6)(584.3652, 1251.1) 1 582.3612 582.3612@4.9241447 + 256.2513@4.931142 4.931142 (257.2586, 3289.16) 1 256.2513 256.2513@4.931142 + 273.1938@4.9351406 4.9351406 (274.2011, 9153.82)(275.2039, 1768.6) 1 273.1938 273.1938@4.9351406 + 452.3354@4.972352 4.972352 (453.34277, 2207.316)(454.34692, 1331.4751)(455.3456, 1049.33)(475.326, 969.51) 5 452.3354 452.3354@4.972352 + 936.9954@4.9401383 4.9401383 (938.0027, 2799.6)(939.0009, 1477.72)(940.0034, 689.1) 1 936.9954 936.9954@4.9401383 + 409.2455@4.9453173 4.9453173 (410.2536, 1308.2051) 2 409.2455 409.2455@4.9453173 + 936.4953@4.9441366 4.9441366 (937.5026, 2685.59)(938.5035, 2649.29)(939.5005, 1105.69) 1 936.4953 936.4953@4.9441366 + 611.908@4.912719 4.912719 (612.9153, 1905.1699) 9 611.908 611.908@4.912719 + 722.4173@4.956132 4.956132 (723.4246, 3728.33)(724.4272, 2612.46) 1 722.4173 722.4173@4.956132 + 781.4402@4.9571314 4.9571314 (782.4475, 4819.05)(783.4506, 3118.9)(784.4503, 1021.1) 1 781.4402 781.4402@4.9571314 + 781.9417@4.9571314 4.9571314 (782.949, 5741.02)(783.9501, 2396.63) 1 781.9417 781.9417@4.9571314 + 722.9202@4.9571314 4.9571314 (723.9274, 3500.1)(724.9257, 1181.62) 1 722.9202 722.9202@4.9571314 + 657.4673@4.958131 4.958131 (658.4745, 3314.62) 1 657.4673 657.4673@4.958131 + 1299.9194@4.96 4.96 (1300.9259, 2308.115)(1301.9291, 1762.91)(1302.935, 792.555) 2 1299.9194 1299.9194@4.96 + 461.2927@4.9661274 4.9661274 (462.3, 734.5) 1 461.2927 461.2927@4.9661274 + 840.9635@4.972125 4.972125 (841.9708, 4648.12)(842.9723, 2020.0) 1 840.9635 840.9635@4.972125 + 840.4632@4.972125 4.972125 (841.4705, 4355.02) 1 840.4632 840.4632@4.972125 + 841.4653@4.9731245 4.9731245 (842.4726, 5000.01)(843.4738, 1683.16) 1 841.4653 841.4653@4.9731245 + 526.323@5.027578 5.027578 (527.3301, 1135.8301) 2 526.323 526.323@5.027578 + 663.3969@4.983121 4.983121 (664.4042, 3215.78)(665.4056, 1023.83) 1 663.3969 663.3969@4.983121 + 445.3037@4.9841204 4.9841204 (446.311, 5321.87)(447.3098, 1476.57) 1 445.3037 445.3037@4.9841204 + 665.4725@4.990118 4.990118 (666.4798, 3091.65) 1 665.4725 665.4725@4.990118 + 1271.8889@4.9987583 4.9987583 (1272.895, 1887.5433)(1273.8986, 1359.6566)(1274.9034, 640.59) 3 1271.8889 1271.8889@4.9987583 + Androst-4-ene-3alpha,17beta-diol diacetate 5.011442 C15423 Androst-4-ene-3alpha,17beta-diol diacetate [ C23 H34 O4, db=30.98, overall=30.98, KEGG ID=C15423, METLIN ID=70892 ] (771.47644, 2462.2617)(772.47906, 1327.3823) 19 770.4691 Androst-4-ene-3alpha,17beta-diol diacetate + 900.4866@4.998115 4.998115 (901.4939, 3092.02)(902.4956, 916.92) 1 900.4866 900.4866@4.998115 + 899.4859@5.000114 5.000114 (900.4931, 3080.1) 1 899.4859 899.4859@5.000114 + 899.986@5.010355 5.010355 (900.992, 1853.635)(901.99457, 1138.815) 2 899.986 899.986@5.010355 + Lasonolide A 5.0245934 C19903 Lasonolide A [ C41 H60 O9, mfg=67.67, db=67.36, overall=67.51, KEGG ID=C19903, METLIN ID=73424 ] (697.4322, 6088.517)(698.4355, 2643.5562) 25 696.4249 Lasonolide A + 487.3145@5.0201063 5.0201063 (488.3217, 6712.33)(489.3245, 2281.37) 1 487.3145 487.3145@5.0201063 + 630.4418@5.033101 5.033101 (631.449, 3185.9)(632.4515, 948.08) 1 630.4418 630.4418@5.033101 + 959.5069@5.0380993 5.0380993 (960.5142, 2138.46)(961.5177, 1351.11) 1 959.5069 959.5069@5.0380993 + 458.2879@5.052739 5.052739 (459.29483, 3861.8743)(460.29428, 1110.636)(461.2882, 1091.165) 5 458.2879 458.2879@5.052739 + 406.1097@5.0519342 5.0519342 (407.1169, 8568.481)(408.11984, 2763.053)(409.11896, 1931.26)(429.1002, 600.19) 10 406.1097 406.1097@5.0519342 + 803.4586@5.053094 5.053094 (804.4658, 3807.47)(805.4675, 2949.08)(806.4713, 863.69) 1 803.4586 803.4586@5.053094 + 803.9541@5.0550933 5.0550933 (804.9614, 4152.5)(805.9634, 1653.74) 1 803.9541 803.9541@5.0550933 + 345.2515@5.0560927 5.0560927 (346.2588, 2929.68)(347.2613, 1243.95) 1 345.2515 345.2515@5.0560927 + 679.9804@5.022402 5.022402 (680.9921, 1917.015) 2 679.9804 679.9804@5.022402 + 744.9323@5.0580916 5.0580916 (745.9396, 2935.59)(746.9393, 899.45) 1 744.9323 744.9323@5.0580916 + 744.4323@5.0580916 5.0580916 (745.4396, 3401.17)(746.4412, 2787.36)(747.4476, 1101.47) 1 744.4323 744.4323@5.0580916 + 701.0002@5.0676312 5.0676312 (702.00757, 2406.8955)(703.0094, 1076.8461) 11 701.0002 701.0002@5.0676312 + 862.4751@5.065089 5.065089 (863.4823, 3458.2) 1 862.4751 862.4751@5.065089 + 862.9763@5.0670886 5.0670886 (863.9836, 3442.24)(864.9848, 1558.33) 1 862.9763 862.9763@5.0670886 + 685.9126@5.079084 5.079084 (686.9199, 2491.76) 1 685.9126 685.9126@5.079084 + 1017.5331@5.082083 5.082083 (1018.5404, 711.55)(1019.5379, 817.63) 1 1017.5331 1017.5331@5.082083 + 922.5008@5.082083 5.082083 (923.5081, 2316.75)(924.5053, 1157.18) 1 922.5008 922.5008@5.082083 + 685.4086@5.085082 5.085082 (686.4159, 2998.87)(687.4185, 1357.13) 1 685.4086 685.4086@5.085082 + 792.4814@5.086309 5.086309 (793.4902, 1883.6987)(794.49335, 1040.9888) 15 792.4814 792.4814@5.086309 + 695.4823@5.102076 5.102076 (696.4896, 1406.99)(697.4802, 1141.65) 1 695.4823 695.4823@5.102076 + 667.0734@5.1080737 5.1080737 (668.0806, 3038.66) 1 667.0734 667.0734@5.1080737 + 981.0231@5.11907 5.11907 (982.0303, 1707.09)(983.0311, 1118.09) 1 981.0231 981.0231@5.11907 + 652.457@5.127067 5.127067 (653.4643, 1960.3)(654.4645, 962.4) 1 652.457 652.457@5.127067 + 825.9684@5.138063 5.138063 (826.9757, 2940.02)(827.9765, 1028.32) 1 825.9684 825.9684@5.138063 + 825.4671@5.1390634 5.1390634 (826.4744, 3028.24)(827.4754, 2087.67)(828.4764, 898.21) 1 825.4671 825.4671@5.1390634 + 527.3674@5.1410623 5.1410623 (528.3746, 3235.91)(529.3759, 1184.5) 1 527.3674 527.3674@5.1410623 + 885.4901@5.1430616 5.1430616 (886.4974, 2212.04) 1 885.4901 885.4901@5.1430616 + 626.3862@5.1450605 5.1450605 (627.3935, 1396.51) 1 626.3862 626.3862@5.1450605 + 766.4437@5.1470604 5.1470604 (767.451, 2155.55)(768.4542, 1171.66) 1 766.4437 766.4437@5.1470604 + 884.9906@5.1470604 5.1470604 (885.9979, 2532.9)(886.9987, 1155.21) 1 884.9906 884.9906@5.1470604 + 766.9461@5.1490593 5.1490593 (767.9534, 1838.8)(768.9542, 1063.43) 1 766.9461 766.9461@5.1490593 + 723.0147@5.1559677 5.1559677 (724.0209, 1914.91)(725.02386, 1131.6625) 14 723.0147 723.0147@5.1559677 + 473.2984@5.1580563 5.1580563 (474.3057, 27753.42)(475.3093, 7653.27)(476.3098, 2285.41) 1 473.2984 473.2984@5.1580563 + 731.5054@5.22185 5.22185 (732.51025, 1269.575) 2 731.5054 731.5054@5.22185 + 764.4115@5.166115 5.166115 (765.41895, 1982.858)(766.4223, 1089.1699) 5 764.4115 764.4115@5.166115 + 944.5131@5.1650543 5.1650543 (945.5204, 1586.68) 1 944.5131 944.5131@5.1650543 + 634.6839@5.1690526 5.1690526 (635.6912, 1260.66) 1 634.6839 634.6839@5.1690526 + 707.4233@5.1730514 5.1730514 (708.4305, 1601.05)(709.4341, 1116.05) 1 707.4233 707.4233@5.1730514 + 707.9256@5.17705 5.17705 (708.9329, 1704.21) 1 707.9256 707.9256@5.17705 + 708.9972@5.1790495 5.1790495 (710.0045, 2154.48)(711.0067, 1050.82) 1 708.9972 708.9972@5.1790495 + 331.2352@5.1820483 5.1820483 (332.2424, 6566.82)(333.2471, 1733.81) 1 331.2352 331.2352@5.1820483 + 709.4979@5.186974 5.186974 (710.5063, 1575.3568) 3 709.4979 709.4979@5.186974 + 644.8954@5.1929274 5.1929274 (645.9025, 3904.6365)(646.90546, 858.60175) 17 644.8954 644.8954@5.1929274 + 717.491@5.187047 5.187047 (718.4982, 1481.26)(719.4999, 1080.72) 1 717.491 717.491@5.187047 + 644.3934@5.19403 5.19403 (645.40063, 5175.149)(646.4042, 1861.7767) 26 644.3934 644.3934@5.19403 + 458.2784@5.210039 5.210039 (459.2857, 2359.26)(460.286, 2097.78) 1 458.2784 458.2784@5.210039 + 374.2557@5.2156963 5.2156963 (375.26346, 1432.1934) 3 374.2557 374.2557@5.2156963 + 906.5027@5.2140384 5.2140384 (907.51, 1462.4)(908.5285, 1187.31) 1 906.5027 906.5027@5.2140384 + 907.0038@5.2220354 5.2220354 (908.0111, 1800.51)(909.0163, 890.65) 1 907.0038 907.0038@5.2220354 + 650.0269@5.2350316 5.2350316 (651.0341, 1149.78) 1 650.0269 650.0269@5.2350316 + 753.5174@5.2410297 5.2410297 (754.5246, 1652.78)(755.5273, 1228.58) 1 753.5174 753.5174@5.2410297 + 648.4013@5.2410297 5.2410297 (649.4086, 1525.42)(650.4087, 1112.91) 1 648.4013 648.4013@5.2410297 + 488.6842@5.2572813 5.2572813 (489.69183, 3799.7788)(490.69614, 959.57) 10 488.6842 488.6842@5.2572813 + 489.0192@5.2542396 5.2542396 (490.02625, 3439.92) 6 489.0192 489.0192@5.2542396 + 489.3534@5.239657 5.239657 (490.36066, 2149.265)(491.37155, 695.43) 4 489.3534 489.3534@5.239657 + 745.5301@5.250143 5.250143 (746.5379, 2156.96) 2 745.5301 745.5301@5.250143 + 729.4352@5.2610235 5.2610235 (730.4425, 1565.94) 1 729.4352 729.4352@5.2610235 + 479.3408@5.270903 5.270903 (480.34732, 4502.427)(481.35025, 1020.97504) 3 479.3408 479.3408@5.270903 + 731.0118@5.2670956 5.2670956 (732.018, 1963.5502)(733.02136, 1320.02) 3 731.0118 731.0118@5.2670956 + 479.6756@5.2708983 5.2708983 (480.6827, 2438.2778) 5 479.6756 479.6756@5.2708983 + 548.8386@5.2750196 5.2750196 (549.8458, 1296.29) 1 548.8386 548.8386@5.2750196 + C40 H61 N O3 S2 5.2890806 [ C40 H61 N O3 S2, mfg=47.62, overall=23.81 ] (667.414, 4091.161)(668.4166, 1510.2903) 29 666.4067 C40 H61 N O3 S2 + 869.9939@5.301012 5.301012 (871.0012, 1383.12) 1 869.9939 869.9939@5.301012 + 689.4237@5.315008 5.315008 (690.431, 1148.63) 1 689.4237 689.4237@5.315008 + 504.0288@5.329862 5.329862 (505.0362, 4295.969)(506.02396, 629.015) 9 504.0288 504.0288@5.329862 + 767.0409@5.3327084 5.3327084 (768.0473, 1692.7)(769.051, 1048.09) 2 767.0409 767.0409@5.3327084 + 480.2918@5.336003 5.336003 (481.299, 2001.16) 1 480.2918 480.2918@5.336003 + 865.5696@5.3692894 5.3692894 (866.58563, 10968.421)(867.58923, 5818.468)(868.59644, 3738.2551)(869.6074, 659.64)(888.562, 2138.15)(889.5708, 1212.96) 19 865.5696 865.5696@5.3692894 + 317.2201@5.302446 5.302446 (318.22714, 7160.355)(319.23065, 1342.1951)(340.2104, 871.6) 2 317.2201 317.2201@5.302446 + 459.2827@5.3450003 5.3450003 (460.29, 11922.18)(461.2941, 3628.0) 1 459.2827 459.2827@5.3450003 + 494.6853@5.3509727 5.3509727 (495.69272, 2957.95) 6 494.6853 494.6853@5.3509727 + 749.02@5.3519983 5.3519983 (750.0273, 1285.56) 1 749.02 749.02@5.3519983 + C21 H51 N18 O4 S 5.3678703 [ C21 H51 N18 O4 S, mfg=88.48, overall=88.48 ] (652.4118, 12012.625)(653.414, 3916.1882)(654.42395, 1571.074)(655.42126, 287.09) 19 651.404 C21 H51 N18 O4 S + 784.4778@5.3729515 5.3729515 (785.48505, 1472.1715)(786.48804, 849.12665) 7 784.4778 784.4778@5.3729515 + 360.2401@5.3719625 5.3719625 (361.24792, 1879.3481)(362.25195, 772.28503)(363.2529, 1296.89) 11 360.2401 360.2401@5.3719625 + 424.3656@5.3699937 5.3699937 (425.3729, 4875.96)(426.3776, 1125.72) 1 424.3656 424.3656@5.3699937 + C44 H58 O S3 5.3809514 [ C44 H58 O S3, mfg=80.52, overall=80.52 ] (699.3716, 3134.861)(700.37506, 1359.8041)(701.378, 945.36)(681.3617, 737.67)(721.3536, 1183.4901)(722.3591, 788.03) 16 698.3643 C44 H58 O S3 + 875.5857@5.3975453 5.3975453 (876.5928, 8331.166)(877.59595, 3132.8176)(878.59674, 2177.9465)(898.577, 14247.36)(899.5818, 7273.09)(900.584, 5882.17)(901.5874, 1036.87) 9 875.5857 875.5857@5.3975453 + 129.1012@5.3903866 5.3903866 (130.10855, 13874.4)(131.1154, 807.02) 2 129.1012 129.1012@5.3903866 + 768.0371@5.396987 5.396987 (769.0444, 1315.72) 1 768.0371 768.0371@5.396987 + 518.7042@5.4061313 5.4061313 (519.7115, 4554.9136) 16 518.7042 518.7042@5.4061313 + 509.0263@5.421051 5.421051 (510.03348, 4765.276)(511.03455, 940.33997) 15 509.0263 509.0263@5.421051 + 508.6916@5.4214234 5.4214234 (509.699, 5313.945)(510.70145, 1067.7144) 24 508.6916 508.6916@5.4214234 + PE(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) 5.4304347 C00350 PE(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) [ C41 H72 N O8 P, db=45.46, overall=45.46, KEGG ID=C00350, HMP ID=HMDB09126, METLIN ID=60533 ] (755.5347, 17263.639) 23 754.5248 PE(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) HMDB09126 + 903.5907@5.4127064 5.4127064 (904.59875, 9361.17)(905.6025, 4879.0425)(906.60156, 8007.836)(907.59546, 5105.508)(908.59924, 3954.8726)(926.5838, 1468.74)(927.5985, 1376.86) 18 903.5907 903.5907@5.4127064 + 456.4034@5.421131 5.421131 (457.4108, 2440.604)(458.4136, 1374.085) 5 456.4034 456.4034@5.421131 + 801.5354@5.4315677 5.4315677 (802.55316, 18141.389)(803.55273, 9463.213)(804.5533, 176462.05)(819.5939, 195764.38)(820.5966, 63021.02)(821.5979, 16776.36) 10 801.5354 801.5354@5.4315677 + 795.5334@5.4927382 5.4927382 (796.5451, 42142.312)(797.5564, 18012.293) 3 795.5334 795.5334@5.4927382 + C21 H44 N5 O2 5.4307675 [ C21 H44 N5 O2, mfg=70.51, overall=70.51 ] (797.7059, 840.0)(399.3575, 3725.5732)(400.36194, 1180.5474)(401.35413, 943.71497)(421.33823, 3311.5425)(422.3414, 1174.0499) 19 398.3503 C21 H44 N5 O2 + 907.6231@5.418362 5.418362 (908.63257, 7941.598)(909.6365, 3966.9495)(910.6397, 2163.451)(911.637, 719.658)(890.6294, 5142.72)(891.6331, 2882.74)(930.6097, 1428.34) 18 907.6231 907.6231@5.418362 + 1133.7703@5.442627 5.442627 (1134.7773, 3254.6526)(1135.7809, 2217.4646)(1136.7882, 1802.8372)(1137.7917, 447.91)(1156.7587, 1252.0841)(1157.7614, 921.38446)(1158.7732, 910.68) 15 1133.7703 1133.7703@5.442627 + 300.2777@5.4298964 5.4298964 (301.28476, 3587.0588)(302.2885, 1210.7476) 8 300.2777 300.2777@5.4298964 + 895.5309@5.4105315 5.4105315 (896.5445, 18079.588)(897.5472, 9591.747)(898.5607, 7504.775)(899.5638, 3461.8218)(900.5836, 3956.68) 23 895.5309 895.5309@5.4105315 + 879.5921@5.4323483 5.4323483 (880.59753, 13557.193)(881.59863, 6820.35)(882.5847, 5124.9375)(883.5866, 2231.555)(884.5984, 1131.085)(885.6141, 657.08)(886.6168, 1179.19) 20 879.5921 879.5921@5.4323483 + 861.6021@5.411193 5.411193 (862.6133, 14265.206)(863.6159, 7612.5786)(864.61847, 138134.8)(879.6405, 3418.41)(880.6212, 2588.66)(884.5899, 1756.92)(885.5817, 1107.14) 23 861.6021 861.6021@5.411193 + 875.6356@5.431898 5.431898 (876.64374, 32453.63)(877.64703, 17249.021)(878.6441, 9577.579)(879.64624, 3657.6252)(880.6272, 1667.805) 24 875.6356 875.6356@5.431898 + 840.5688@5.450354 5.450354 (841.576, 29512.176)(842.584, 22975.127)(843.5891, 10142.74) 5 840.5688 840.5688@5.450354 + C39 H69 N6 O2 S2 5.4423537 [ C39 H69 N6 O2 S2, mfg=86.96, overall=86.96 ] (718.4995, 2716.1504)(719.50287, 1419.0094)(720.49786, 719.88) 17 717.4933 C39 H69 N6 O2 S2 + 807.576@5.4517007 5.4517007 (1638.1356, 3432.1401)(1639.1396, 2906.7075)(1640.1494, 3424.6975)(1641.1543, 4308.15)(1642.1592, 3142.75)(1643.1677, 2809.95)(1644.1794, 2077.44)(808.5827, 613252.44)(809.5871, 248834.66) 7 807.576 807.576@5.4517007 + 864.6186@5.4240813 5.4240813 (865.6232, 91610.56)(866.63165, 49887.9)(867.63635, 18995.06) 5 864.6186 864.6186@5.4240813 + 963.6117@5.4366264 5.4366264 (964.6186, 2794.6467)(965.6214, 1499.4833)(966.63184, 1626.1451)(967.6371, 411.595)(968.6536, 1144.18) 6 963.6117 963.6117@5.4366264 + PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)) 5.448762 C00350 PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)) [ C49 H86 N O8 P, db=17.72, overall=17.72, KEGG ID=C00350, HMP ID=HMDB09634, METLIN ID=61023 ] (848.6098, 94856.87)(849.6133, 46715.664)(850.6016, 28337.99)(851.5924, 20535.273)(870.5915, 1221.15)(871.59, 675.82) 29 847.6048 PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)) HMDB09634 + 827.5435@5.4472814 5.4472814 (1673.1168, 625.96)(828.5445, 121032.53)(829.5479, 63209.355)(830.5584, 63178.137)(831.56104, 20655.85)(832.5784, 62568.023)(850.5228, 8586.12)(851.52673, 4686.3447)(852.5407, 9277.85)(853.5438, 4232.425)(854.5521, 9912.42) 18 827.5435 827.5435@5.4472814 + 854.5482@5.4579725 5.4579725 (855.5555, 4799.92) 1 854.5482 854.5482@5.4579725 + 819.535@5.4472933 5.4472933 (820.53766, 30472.42)(821.5411, 15771.938)(822.55396, 180953.83)(823.5645, 35314.62)(824.5755, 10338.09)(842.5286, 5200.96) 25 819.535 819.535@5.4472933 + 855.5672@5.4284515 5.4284515 (856.5774, 31832.629)(857.5813, 15721.785)(858.58875, 13307.696)(859.59235, 7548.75)(860.6013, 8507.0)(878.5439, 18090.0)(879.5489, 9132.28) 15 855.5672 855.5672@5.4284515 + 939.5414@5.449108 5.449108 (940.543, 1984.1366)(941.5434, 1234.9565)(942.5461, 1270.82)(943.5569, 636.49)(944.5473, 859.71)(945.5331, 209.92)(946.5582, 589.35) 6 939.5414 939.5414@5.449108 + 891.6453@5.4473133 5.4473133 (892.64984, 26331.768)(893.6541, 14779.92)(894.65643, 5745.94)(895.66376, 1709.1423)(896.6704, 563.13666)(914.6187, 2559.28)(915.6245, 1507.43)(916.6337, 1891.45) 30 891.6453 891.6453@5.4473133 + 389.7735@5.4660034 5.4660034 (390.78027, 3730.7734) 9 389.7735 389.7735@5.4660034 + 834.5951@5.4739695 5.4739695 (835.6023, 34719.22)(836.607, 10393.1)(837.6107, 3683.47) 1 834.5951 834.5951@5.4739695 + 858.5863@5.4375677 5.4375677 (859.59436, 5121.626)(860.5995, 3427.86)(861.6036, 1638.1) 5 858.5863 858.5863@5.4375677 + 843.5948@5.4255877 5.4255877 (844.60187, 19796.428)(845.606, 8998.901)(846.5967, 52045.58)(847.6001, 23703.41)(826.5928, 8727.06)(827.5963, 4543.38)(866.5818, 20931.75)(867.5777, 10747.02) 19 843.5948 843.5948@5.4255877 + PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z)) 5.4764686 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z)) [ C49 H84 N O8 P, db=55.38, overall=55.38, Lipid ID=LMGP02011158, METLIN ID=77393 ] (846.5985, 17655.28)(847.6026, 8693.939)(848.612, 90189.32)(849.6169, 5018.0303)(850.6111, 3389.76) 18 845.5895 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z)) + LMGP02011158 533.0456@5.492252 5.492252 (534.0527, 7037.1533)(535.0549, 826.34) 16 533.0456 533.0456@5.492252 + 778.5337@5.4937444 5.4937444 (779.5418, 7383.64) 3 778.5337 778.5337@5.4937444 + 533.3802@5.4966574 5.4966574 (534.3871, 4104.7275)(535.39716, 1243.365) 10 533.3802 533.3802@5.4966574 + 428.3722@5.5089617 5.5089617 (429.3794, 17830.65)(430.3823, 4906.7) 1 428.3722 428.3722@5.5089617 + 370.3189@5.5131054 5.5131054 (371.32623, 32982.87)(372.32965, 8858.63)(373.3324, 1637.04)(393.30768, 15254.686)(394.3111, 6837.67)(395.3149, 1275.99) 2 370.3189 370.3189@5.5131054 + 408.2753@5.510961 5.510961 (409.2825, 3300.12) 1 408.2753 408.2753@5.510961 + 792.0477@5.5033545 5.5033545 (793.05634, 10440.171)(794.06055, 10362.228)(795.0681, 6615.207) 17 792.0477 792.0477@5.5033545 + 776.54@5.509741 5.509741 (1554.1279, 2257.29)(1555.1201, 1412.57)(1556.1261, 1394.3)(777.55, 10302.778)(778.5428, 21068.1) 8 776.54 776.54@5.509741 + 356.2286@5.520007 5.520007 (357.23572, 8603.641)(358.23926, 1302.365) 2 356.2286 356.2286@5.520007 + 695.43@5.5232377 5.5232377 (696.4373, 7481.7935)(697.44073, 2720.009)(698.4404, 2661.492)(699.4438, 1599.3734)(700.4523, 2379.59) 16 695.43 695.43@5.5232377 + 523.3668@5.514295 5.514295 (524.374, 5991.223)(525.37726, 1466.4282) 7 523.3668 523.3668@5.514295 + 983.5244@5.5964117 5.5964117 (984.5206, 1165.469)(985.522, 873.775)(986.5294, 659.85254)(966.5209, 4878.13)(967.5262, 2706.38)(968.5351, 1207.65) 10 983.5244 983.5244@5.5964117 + 523.7015@5.515849 5.515849 (524.70886, 4530.509)(525.7141, 687.42) 8 523.7015 523.7015@5.515849 + 348.1582@5.517408 5.517408 (349.16586, 8871.576)(350.16913, 2458.38)(351.1732, 799.14) 5 348.1582 348.1582@5.517408 + 772.5454@5.4814577 5.4814577 (773.5524, 61828.85)(774.5559, 13594.93) 2 772.5454 772.5454@5.4814577 + 829.5925@5.5164886 5.5164886 (830.5991, 30506.86)(831.6006, 15210.707)(832.59204, 35427.293)(833.60223, 14483.406)(852.582, 4929.55) 6 829.5925 829.5925@5.5164886 + 841.6291@5.5152364 5.5152364 (842.63617, 73284.12)(843.6401, 34253.04)(844.6525, 17892.4) 31 841.6291 841.6291@5.5152364 + 797.0514@5.4963565 5.4963565 (1612.1157, 1203.75)(798.05707, 1459.01)(799.0602, 1267.63)(800.0584, 1924.42)(801.0555, 1465.54)(802.0546, 402.59) 2 797.0514 797.0514@5.4963565 + Pedunculagin 5.536335 C10236 Pedunculagin [ C34 H24 O22, db=62.44, overall=62.44, CAS ID=7045-42-3, KEGG ID=C10236, METLIN ID=68189 ] 7045-42-3 (1613.1241, 879.5)(807.06836, 7096.301)(808.074, 3587.9817)(809.0675, 601.485)(789.0489, 3805.43)(790.0462, 1048.39) 19 806.0616 Pedunculagin + 793.5273@5.5160513 5.5160513 (794.5365, 32034.701)(795.53674, 15449.209)(796.541, 50015.316)(797.5469, 18078.01) 4 793.5273 793.5273@5.5160513 + 959.5324@5.528958 5.528958 (960.5396, 994.19)(961.5491, 928.81)(962.5584, 1171.21) 1 959.5324 959.5324@5.528958 + 956.5202@5.5426784 5.5426784 (957.52234, 1609.765)(958.5308, 1020.9775)(959.5362, 1842.1133)(960.5396, 937.37)(961.55, 553.06) 4 956.5202 956.5202@5.5426784 + 860.642@5.5387945 5.5387945 (861.6478, 3227.935)(862.6422, 1828.385) 2 860.642 860.642@5.5387945 + 868.6494@5.5427103 5.5427103 (869.6564, 22252.844)(870.6636, 11876.145)(871.6692, 9437.68)(872.673, 3193.27)(873.6648, 741.22) 4 868.6494 868.6494@5.5427103 + 773.5578@5.5298133 5.5298133 (774.5662, 178933.11)(775.56854, 81071.61)(776.5739, 26110.205)(777.5713, 10899.025)(778.5757, 1962.22)(796.5419, 66902.82)(797.5468, 31163.47) 12 773.5578 773.5578@5.5298133 + 783.5768@5.510349 5.510349 (1568.1542, 5666.6836)(1569.1615, 5550.965)(1570.1678, 2806.64)(1571.1696, 503.52)(1590.1389, 5495.57)(1591.1438, 4487.8975)(1592.1536, 4705.557)(1593.158, 3744.0503)(1594.1609, 2816.7024)(1595.1676, 1905.0874)(1596.1765, 1107.03)(784.584, 1232997.5)(785.5882, 544317.25) 32 783.5768 783.5768@5.510349 + 236.9664@5.565305 5.565305 (237.97336, 1725.0901) 2 236.9664 236.9664@5.565305 + 940.5239@5.5207443 5.5207443 (941.53455, 2357.0542)(942.5386, 1812.91)(943.5438, 4003.6523)(944.5515, 2180.835)(945.5488, 1238.4967) 7 940.5239 940.5239@5.5207443 + 927.6549@5.4838123 5.4838123 (928.6625, 3382.452)(929.6674, 1901.5292)(930.66974, 1459.0641)(950.6404, 1067.325)(951.6257, 910.52) 13 927.6549 927.6549@5.4838123 + 378.2746@5.536319 5.536319 (379.28207, 10525.167)(380.2845, 1076.9141) 15 378.2746 378.2746@5.536319 + 938.5474@5.5436506 5.5436506 (939.56055, 1211.3)(956.5792, 1632.04)(961.5516, 954.87) 2 938.5474 938.5474@5.5436506 + 1073.5374@5.587301 5.587301 (1074.5454, 1688.8307)(1075.5491, 1180.5194)(1076.5544, 940.4636) 19 1073.5374 1073.5374@5.587301 + 968.5509@5.549752 5.549752 (969.55725, 2246.816)(970.5596, 1315.7285)(971.5682, 1760.1713)(972.56757, 953.075)(973.5657, 682.03)(951.5482, 2275.035)(952.5584, 1355.59)(953.5639, 4978.54)(954.5647, 2844.54)(955.576, 2937.36)(991.5315, 875.42) 7 968.5509 968.5509@5.549752 + 168.9785@5.5389557 5.5389557 (169.9857, 7819.66) 1 168.9785 168.9785@5.5389557 + 978.5699@5.550081 5.550081 (979.57465, 2548.6685)(980.58344, 1656.6738)(981.5918, 2056.0833)(1001.5495, 794.04) 14 978.5699 978.5699@5.550081 + 767.5814@5.5160875 5.5160875 (768.588, 34485.953)(769.585, 21296.506)(770.5738, 35300.95)(771.574, 15192.771) 29 767.5814 767.5814@5.5160875 + 1537.1031@5.5328217 5.5328217 (1538.1104, 8955.249)(1539.1141, 8968.96)(1540.122, 7095.9473)(1541.1284, 5715.06) 7 1537.1031 1537.1031@5.5328217 + 1121.6602@5.545012 5.545012 (1122.6688, 2626.1633)(1123.6719, 1674.16) 3 1121.6602 1121.6602@5.545012 + 1052.5596@5.543955 5.543955 (1053.5669, 1375.82)(1054.5724, 1247.64) 1 1052.5596 1052.5596@5.543955 + 971.5586@5.556093 5.556093 (972.5692, 1104.204)(973.565, 888.11)(994.5496, 679.5) 5 971.5586 971.5586@5.556093 + 845.6467@5.548954 5.548954 (846.6539, 2511.69)(847.6478, 747.55) 1 845.6467 845.6467@5.548954 + 303.2043@5.553953 5.553953 (304.2116, 87138.15)(305.215, 15027.15)(306.2171, 2185.87) 1 303.2043 303.2043@5.553953 + 946.5669@5.564532 5.564532 (947.57117, 2282.25)(948.5713, 1691.8851)(949.58527, 2283.4949)(950.59015, 1523.615)(951.5801, 220.62)(969.5563, 1710.95)(970.5568, 1265.87)(971.5654, 2071.4) 7 946.5669 946.5669@5.564532 + 1044.0872@5.5866904 5.5866904 (1045.0931, 1835.0635)(1046.0966, 990.86914)(1047.0892, 976.8833)(1067.0757, 748.505)(1068.079, 835.1167)(1069.0642, 700.97) 14 1044.0872 1044.0872@5.5866904 + 183.0679@5.585453 5.585453 (184.07512, 7454.6807)(185.07867, 868.59503)(186.07373, 762.21747)(206.0573, 878.14825) 14 183.0679 183.0679@5.585453 + 847.602@5.576359 5.576359 (848.6096, 5837.985)(849.6094, 3000.055) 4 847.602 847.602@5.576359 + 911.8114@5.5679507 5.5679507 (912.8186, 1112.75)(913.8222, 799.1) 1 911.8114 911.8114@5.5679507 + 816.6182@5.56995 5.56995 (817.6254, 65569.81)(818.6284, 29079.81) 1 816.6182 816.6182@5.56995 + 241.1212@5.575105 5.575105 (500.2754, 2059.24)(242.12845, 2592.3315)(243.13408, 762.6575)(244.126, 809.22) 7 241.1212 241.1212@5.575105 + 978.5687@5.591968 5.591968 (979.57477, 2449.3914)(980.5834, 1503.091)(981.5912, 1909.2067)(982.59406, 1416.7925)(983.5997, 898.14667)(996.6007, 1135.818)(997.59607, 961.375)(1001.5489, 715.51) 24 978.5687 978.5687@5.591968 + 1032.5833@5.5804243 5.5804243 (1033.5894, 1271.4299)(1055.5754, 1236.18)(1056.5865, 1089.98) 2 1032.5833 1032.5833@5.5804243 + 1121.659@5.5954666 5.5954666 (1122.6664, 2007.2666)(1123.6702, 1265.235)(1124.6715, 562.81) 3 1121.659 1121.659@5.5954666 + 1051.555@5.5904965 5.5904965 (1052.5627, 2014.8722)(1053.5668, 1414.6484)(1054.5723, 1010.88446)(1074.5452, 1756.946)(1075.5468, 1319.7051)(1076.5548, 1044.5076) 13 1051.555 1051.555@5.5904965 + 293.9928@5.607415 5.607415 (588.9926, 1609.57)(295.00046, 1694.645)(316.982, 2509.13) 2 293.9928 293.9928@5.607415 + 732.5492@5.636819 5.636819 (733.5568, 9154.805)(734.5626, 3385.55) 2 732.5492 732.5492@5.636819 + 812.5663@5.5949464 5.5949464 (813.5736, 18874.2)(814.5878, 5632.53) 1 812.5663 812.5663@5.5949464 + 970.5465@5.612069 5.612069 (971.55695, 1629.5173)(972.55725, 1028.4164)(973.5562, 837.35565)(953.5617, 3158.26)(954.5674, 1739.95)(955.5773, 3844.63) 19 970.5465 970.5465@5.612069 + 547.7209@5.6037035 5.6037035 (548.7281, 4945.7715) 11 547.7209 547.7209@5.6037035 + 548.0552@5.600423 5.600423 (549.0622, 4953.965) 2 548.0552 548.0552@5.600423 + 879.4736@5.6081953 5.6081953 (880.4816, 1119.5325)(881.49414, 825.0733) 4 879.4736 879.4736@5.6081953 + 940.5562@5.6066804 5.6066804 (941.56146, 1877.6051)(942.5628, 1501.8463)(943.5542, 2160.0073)(944.55286, 860.1125)(945.54565, 908.2734)(958.5901, 738.44) 19 940.5562 940.5562@5.6066804 + 445.2673@5.602945 5.602945 (446.2746, 7848.26)(447.2794, 2500.0) 1 445.2673 445.2673@5.602945 + 916.5259@5.6299686 5.6299686 (917.5398, 1627.41)(918.54474, 1205.1666) 4 916.5259 916.5259@5.6299686 + 1159.33@5.6135955 5.6135955 (1160.3369, 5362.1284)(1161.3424, 3495.7087)(1162.3491, 1918.4816)(1163.3584, 1035.8667)(1177.358, 909.52) 20 1159.33 1159.33@5.6135955 + 239.2251@5.6186376 5.6186376 (240.23213, 3164.787)(241.23544, 1319.345) 7 239.2251 239.2251@5.6186376 + 780.0462@5.631673 5.631673 (781.05347, 13606.873)(782.0601, 9450.937)(783.06714, 3015.9487) 21 780.0462 780.0462@5.631673 + 538.7109@5.6124277 5.6124277 (539.71893, 2331.603) 7 538.7109 538.7109@5.6124277 + 795.5191@5.607537 5.607537 (796.52905, 36413.934)(797.532, 16959.254)(798.5395, 12509.509)(799.551, 3632.83) 19 795.5191 795.5191@5.607537 + 380.2437@5.624347 5.624347 (381.25122, 4542.7163)(382.25433, 1461.52)(383.25116, 1160.345) 5 380.2437 380.2437@5.624347 + 538.3766@5.6209064 5.6209064 (539.384, 3936.2002)(540.3785, 1766.91) 13 538.3766 538.3766@5.6209064 + 177.1364@5.619942 5.619942 (178.1436, 57776.6)(179.1469, 4469.71)(180.1484, 842.38) 1 177.1364 177.1364@5.619942 + 847.5336@5.6206393 5.6206393 (848.5435, 16026.549)(849.5465, 7662.3813)(850.55835, 5810.6025)(851.5617, 1947.9032)(852.5521, 2093.21)(865.5732, 1925.85) 28 847.5336 847.5336@5.6206393 + 333.2151@5.63494 5.63494 (334.2224, 6671.22)(335.224, 1580.66) 1 333.2151 333.2151@5.63494 + 919.5741@5.620721 5.620721 (920.569, 2257.6948)(921.57056, 707.8467)(922.5678, 864.36)(942.5447, 1525.51) 4 919.5741 919.5741@5.620721 + 378.2415@5.6670537 5.6670537 (379.24896, 8222.124)(380.25232, 1236.2665)(381.2528, 1172.8) 13 378.2415 378.2415@5.6670537 + 378.7432@5.6623354 5.6623354 (379.75104, 4772.3057) 5 378.7432 378.7432@5.6623354 + 546.3313@5.6599364 5.6599364 (547.3385, 1568.29) 1 546.3313 546.3313@5.6599364 + 322.1735@5.6709347 5.6709347 (323.1808, 3342.61) 1 322.1735 322.1735@5.6709347 + 825.528@5.678001 5.678001 (826.535, 13864.392)(827.537, 6963.0576)(828.536, 8451.585) 6 825.528 825.528@5.678001 + 400.4138@5.693932 5.693932 (401.421, 1228.39) 1 400.4138 400.4138@5.693932 + 415.2046@5.703931 5.703931 (416.2119, 1762.07) 1 415.2046 415.2046@5.703931 + 812.6108@5.6494627 5.6494627 (813.61725, 21633.52)(814.6213, 7725.2783)(815.6278, 2156.8462)(830.6414, 684.08) 5 812.6108 812.6108@5.6494627 + 821.0648@5.7101855 5.7101855 (822.07544, 3776.2485)(823.07715, 1115.86) 11 821.0648 821.0648@5.7101855 + 820.5668@5.7160354 5.7160354 (821.5759, 4815.69)(822.5886, 3084.7197)(823.5974, 1550.6666) 15 820.5668 820.5668@5.7160354 + 817.5823@5.7435884 5.7435884 (818.5897, 19798.822)(819.59314, 7945.41)(820.5944, 2231.7761) 10 817.5823 817.5823@5.7435884 + 657.3999@5.757409 5.757409 (658.40717, 5503.11)(659.4108, 2235.933)(660.41876, 1423.9972)(680.3911, 5319.57)(681.3962, 2569.38) 14 657.3999 657.3999@5.757409 + 577.0716@5.7792177 5.7792177 (578.0785, 3000.9727) 4 577.0716 577.0716@5.7792177 + 857.0935@5.788369 5.788369 (858.1004, 2398.056)(859.10126, 854.175) 10 857.0935 857.0935@5.788369 + C35 H71 N2 O8 S3 5.817559 [ C35 H71 N2 O8 S3, mfg=80.30, overall=80.30 ] (744.4421, 10388.28)(745.44586, 4475.4453)(746.4553, 2827.4033)(766.4236, 1124.6599)(767.419, 649.97)(768.4369, 1552.19) 14 743.4347 C35 H71 N2 O8 S3 + 1008.6339@5.834056 5.834056 (1009.6407, 3220.535)(1010.64136, 1316.6163)(1011.6227, 849.35) 11 1008.6339 1008.6339@5.834056 + 928.577@5.8229046 5.8229046 (929.5917, 950.79004)(930.5858, 741.735) 2 928.577 928.577@5.8229046 + 811.4228@5.8219185 5.8219185 (812.43005, 4369.573)(813.434, 2175.699)(814.441, 1307.621)(834.4137, 740.44995) 14 811.4228 811.4228@5.8219185 + 821.4441@5.828753 5.828753 (822.4521, 2351.6501)(823.45557, 1270.3134)(824.44, 810.38) 7 821.4441 821.4441@5.828753 + 348.176@5.8291907 5.8291907 (349.18253, 1605.9567) 3 348.176 348.176@5.8291907 + 641.3576@5.8311167 5.8311167 (642.3724, 2184.3083)(643.37445, 935.3842)(644.3909, 924.63) 13 641.3576 641.3576@5.8311167 + 1327.757@5.835857 5.835857 (1328.7639, 1950.303)(1329.7622, 725.55505) 7 1327.757 1327.757@5.835857 + 1121.4944@5.8249207 5.8249207 (1122.5017, 1162.55) 1 1121.4944 1121.4944@5.8249207 + 779.5439@5.913613 5.913613 (780.55096, 15007.478)(781.55493, 8711.352)(782.5663, 68393.81)(783.57, 30483.78)(802.53534, 1312.4976)(803.5487, 844.36)(804.53955, 1254.4551)(805.5443, 606.16) 25 779.5439 779.5439@5.913613 + 842.5707@5.838246 5.838246 (843.5795, 4497.3228)(844.5722, 2375.97)(845.5615, 985.854) 12 842.5707 842.5707@5.838246 + 793.5598@5.819889 5.819889 (794.56757, 7924.8765)(795.5749, 4159.81)(796.5773, 4232.69)(811.5904, 7998.84) 12 793.5598 793.5598@5.819889 + 838.3336@5.8381658 5.8381658 (839.34064, 2203.251)(840.3434, 765.38) 12 838.3336 838.3336@5.8381658 + 416.7576@5.828326 5.828326 (417.76505, 4777.963)(418.7689, 1154.838) 11 416.7576 416.7576@5.828326 + 1456.7239@5.8276844 5.8276844 (1457.7307, 1312.9299) 2 1456.7239 1456.7239@5.8276844 + 815.5647@5.834966 5.834966 (816.5694, 3816.795)(817.5718, 2046.3276)(818.58813, 2277.9875)(819.6005, 931.01)(820.5904, 1360.99) 12 815.5647 815.5647@5.834966 + 843.0736@5.8333025 5.8333025 (844.082, 2516.379)(845.0734, 1265.37)(846.06085, 1497.406)(847.0639, 653.95) 9 843.0736 843.0736@5.8333025 + 782.5627@5.9263077 5.9263077 (1566.1395, 543.84)(783.57007, 20261.05)(784.57544, 5188.7495)(785.57996, 1460.3179)(805.55054, 880.67) 24 782.5627 782.5627@5.9263077 + 517.7509@5.8336535 5.8336535 (1036.5127, 910.85)(518.7583, 2911.4275)(519.7576, 1517.6133)(520.7523, 1024.0549) 4 517.7509 517.7509@5.8336535 + 985.5225@5.834144 5.834144 (986.52905, 4149.989)(987.5331, 1790.2233)(988.53107, 909.38165)(1008.516, 781.99) 17 985.5225 985.5225@5.834144 + C26 H33 N16 O 5.8381605 [ C26 H33 N16 O, mfg=76.94, overall=76.94 ] (586.3086, 3439.6262)(587.3121, 1248.5645)(608.29333, 729.37335) 20 585.3017 C26 H33 N16 O + 859.5639@5.8307214 5.8307214 (860.5618, 2435.885)(861.56476, 876.69495)(862.553, 2953.6) 2 859.5639 859.5639@5.8307214 + 155.0925@5.834319 5.834319 (156.09987, 7485.178)(157.09671, 1876.4451) 5 155.0925 155.0925@5.834319 + 755.5435@5.856546 5.856546 (756.5505, 6521.613)(757.5538, 3079.332)(778.5372, 591.01) 16 755.5435 755.5435@5.856546 + 941.557@5.826058 5.826058 (942.56067, 4055.2493)(943.5574, 2489.1624)(944.5617, 11431.38)(945.5599, 7370.99)(946.5591, 4376.48)(964.54785, 1642.9901)(965.5476, 1231.2949)(966.5357, 760.27) 14 941.557 941.557@5.826058 + 944.5523@5.85528 5.85528 (945.5559, 7741.082)(946.5555, 5676.855)(947.5561, 2629.8784)(967.52747, 963.93994)(968.52844, 909.935)(969.5248, 911.78) 12 944.5523 944.5523@5.85528 + 481.7688@5.8319287 5.8319287 (964.5448, 2260.9219)(965.5456, 1534.476)(966.5415, 1311.326)(986.5287, 4218.2524)(482.7748, 1862.07)(464.7635, 942.33)(504.75296, 1222.4833) 10 481.7688 481.7688@5.8319287 + 768.5539@5.8350315 5.8350315 (769.5612, 1955.4323)(770.5672, 1170.0477) 9 768.5539 768.5539@5.8350315 + PE(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)) 5.8394213 C00350 PE(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)) [ C47 H84 N O8 P, db=59.42, overall=59.42, KEGG ID=C00350, HMP ID=HMDB09531, METLIN ID=60920 ] (822.59503, 6541.542)(823.5983, 3225.2505)(824.6035, 1914.9584)(825.6231, 334.77)(844.5781, 1791.29)(845.5612, 1029.92) 28 821.59 PE(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)) HMDB09531 + 947.5138@5.8618326 5.8618326 (948.52576, 2978.1746)(949.52264, 1786.684)(950.5271, 1538.4163)(951.52814, 1411.7599)(952.54065, 1901.27)(970.4986, 1088.0333)(971.50525, 927.74)(972.4921, 2470.75)(973.4949, 812.11)(974.5149, 2253.54) 17 947.5138 947.5138@5.8618326 + 681.3969@5.8403583 5.8403583 (682.40533, 2466.5833)(683.41754, 1221.2983)(684.41406, 1121.0701) 6 681.3969 681.3969@5.8403583 + 925.5305@5.8549476 5.8549476 (926.5355, 2277.99)(927.54083, 1093.0514)(928.549, 2070.476)(929.5488, 769.87994)(930.5458, 1551.4601)(948.5209, 3903.725)(949.52716, 2084.35)(950.5288, 994.04004) 7 925.5305 925.5305@5.8549476 + 863.0557@5.8321443 5.8321443 (864.0629, 2227.5203)(865.0639, 917.9728)(866.0492, 916.26746)(846.0618, 1110.5) 16 863.0557 863.0557@5.8321443 + 935.5178@5.8346753 5.8346753 (936.5285, 2229.7864)(937.5281, 1362.4316)(938.53516, 1646.9221)(939.532, 848.64)(940.5403, 2368.24)(953.5482, 1028.35)(954.5343, 1169.72)(955.5528, 807.82)(958.5148, 1115.24) 6 935.5178 935.5178@5.8346753 + 771.4297@5.8413467 5.8413467 (772.43604, 5525.4497)(773.43964, 2355.181)(774.4453, 1421.8656)(775.4438, 365.15) 16 771.4297 771.4297@5.8413467 + 931.0431@5.830514 5.830514 (932.0509, 1941.4763)(933.0526, 859.3012) 9 931.0431 931.0431@5.830514 + 289.1888@5.8409195 5.8409195 (290.1961, 11363.38)(291.1993, 2301.3) 1 289.1888 289.1888@5.8409195 + 857.0939@5.847397 5.847397 (858.10114, 2651.077)(859.1004, 893.885)(860.0762, 1375.25) 3 857.0939 857.0939@5.847397 + 681.4572@5.8623586 5.8623586 (682.46454, 8278.07)(683.4664, 3443.118)(684.46906, 1339.8049)(664.4568, 1084.26)(704.4482, 6346.64)(705.4528, 2632.03) 12 681.4572 681.4572@5.8623586 + 113.0701@5.8699183 5.8699183 (114.0774, 12405.95)(115.086, 3027.18)(116.0814, 6783.17) 1 113.0701 113.0701@5.8699183 + 789.6148@5.9198265 5.9198265 (790.61926, 3473.6199)(791.62244, 838.3375)(792.62274, 1087.6499)(772.6148, 2756.57)(773.616, 1876.5)(774.6, 2761.46)(775.6023, 894.8)(776.5977, 600.59) 4 789.6148 789.6148@5.9198265 + 105.9432@5.8889513 5.8889513 (106.950485, 4986.817) 16 105.9432 105.9432@5.8889513 + 480.1614@5.8919177 5.8919177 (481.1687, 1005.69) 1 480.1614 480.1614@5.8919177 + 511.7736@5.9139156 5.9139156 (512.7816, 1333.7987) 8 511.7736 511.7736@5.9139156 + 443.1971@5.906747 5.906747 (444.2046, 2758.3489)(445.2057, 1162.1666) 8 443.1971 443.1971@5.906747 + 848.4379@5.907909 5.907909 (849.4461, 1783.9966)(850.4497, 1212.7775)(851.45044, 854.6067) 6 848.4379 848.4379@5.907909 + 427.8123@5.9045186 5.9045186 (428.81995, 1191.5366) 3 427.8123 427.8123@5.9045186 + Lovastatin acid (Mevinolinic acid) 5.9288664 Lovastatin acid (Mevinolinic acid) [ C24 H38 O6, mfg=64.15, db=64.15, overall=64.15, METLIN ID=1037 ] (867.53033, 2461.3333)(868.53326, 1754.5101)(869.5327, 802.44)(423.27493, 3949.228)(424.2779, 955.9872)(425.27185, 809.635) 21 422.2677 Lovastatin acid (Mevinolinic acid) + 319.1999@5.906917 5.906917 (320.2071, 2997.49)(321.2103, 816.13) 1 319.1999 319.1999@5.906917 + 457.7615@5.9014173 5.9014173 (916.5282, 4042.52)(917.5289, 2207.92)(458.76852, 1620.1266) 6 457.7615 457.7615@5.9014173 + 845.6205@5.9150906 5.9150906 (846.63, 1835.2621)(847.63165, 821.4367)(848.62695, 1519.6066) 5 845.6205 845.6205@5.9150906 + 320.124@5.9141793 5.9141793 (321.1312, 1938.9672) 10 320.124 320.124@5.9141793 + 330.9724@5.921791 5.921791 (331.97925, 3862.1401) 2 330.9724 330.9724@5.921791 + 168.0306@5.9188466 5.9188466 (169.0372, 1431.3251) 4 168.0306 168.0306@5.9188466 + C6 H2 N O4 5.9219046 [ C6 H2 N O4, mfg=71.41, overall=71.41 ] (153.00586, 4110.0493)(154.0096, 612.34) 14 151.9986 C6 H2 N O4 + 945.477@5.9228377 5.9228377 (946.4824, 2761.9153)(947.48895, 1475.5188)(948.49365, 1084.4917)(968.46924, 1188.5199)(969.4699, 744.25)(970.4911, 779.18) 8 945.477 945.477@5.9228377 + 466.9474@5.9385047 5.9385047 (467.95447, 2181.45) 4 466.9474 466.9474@5.9385047 + 645.4@5.9284806 5.9284806 (646.4061, 3320.3916)(647.4106, 1471.0759)(648.4138, 1007.28) 6 645.4 645.4@5.9284806 + 534.933@5.935378 5.935378 (535.9407, 1301.5) 2 534.933 534.933@5.935378 + 502.0578@5.9459195 5.9459195 (503.06598, 5026.0117)(504.06854, 1145.1625)(505.06503, 1166.2167) 5 502.0578 502.0578@5.9459195 + 862.5278@5.9425926 5.9425926 (863.5289, 8600.19)(864.54156, 5106.6416)(865.5416, 2445.0474) 6 862.5278 862.5278@5.9425926 + C6 H11 N3 5.9566097 [ C6 H11 N3, mfg=75.21, overall=75.21 ] (126.100914, 140839.44)(127.102974, 3287.1533)(128.10931, 1202.2837) 36 125.0936 C6 H11 N3 + 861.5244@5.9518743 5.9518743 (862.5341, 2870.1902)(863.53467, 1031.7426)(864.52563, 2361.3225)(865.52203, 1200.9867)(866.52637, 5617.63)(844.5219, 2195.705)(845.52423, 1238.31)(884.5156, 3011.23)(885.5175, 920.18) 6 861.5244 861.5244@5.9518743 + 741.4207@5.9338427 5.9338427 (742.4235, 4639.876)(743.4285, 2218.2063)(744.4054, 1604.58) 5 741.4207 741.4207@5.9338427 + 106.0417@5.965392 5.965392 (107.04975, 2903.184) 7 106.0417 106.0417@5.965392 + C26 H49 N2 O3 S3 + 5.947642 5.947642 [ C26 H49 N2 O3 S3, mfg=73.31, overall=73.31 ] (534.2959, 2841.0974)(535.3025, 1072.9473)(536.2979, 872.38995) 14 533.288 C26 H49 N2 O3 S3 + 5.947642 + 827.5312@5.9472017 5.9472017 (828.5409, 21150.658)(829.54144, 10899.439)(830.54974, 6208.4155)(831.55426, 3305.5566) 14 827.5312 827.5312@5.9472017 + 931.5004@5.9567018 5.9567018 (932.50806, 1905.062)(933.51324, 1283.48)(934.5262, 3267.563)(935.5289, 2036.41)(936.5415, 2321.4067)(937.5482, 844.19995)(938.5546, 1493.44)(914.4974, 2703.98)(915.5182, 1330.18)(916.5072, 3271.85)(917.5104, 1497.53)(918.5311, 3395.1)(954.48883, 1528.1351)(955.49054, 1119.4)(956.50116, 2721.4602)(957.5035, 1740.7274)(958.5167, 2104.1074) 9 931.5004 931.5004@5.9567018 + 739.4225@5.916641 5.916641 (740.42346, 2590.3843)(741.4268, 1376.2001)(742.4261, 1838.6001)(757.4426, 735.345) 7 739.4225 739.4225@5.916641 + 949.512@5.9673896 5.9673896 (950.5161, 2248.0918)(951.522, 1256.95)(952.5256, 2047.6039)(953.53503, 1523.355)(954.542, 1561.385)(932.51416, 2101.45)(933.52014, 1357.275)(934.5276, 3724.74)(935.5321, 1790.02)(936.54614, 2651.76)(937.5493, 1476.25)(938.5546, 451.44)(972.4955, 2731.25)(973.501, 1731.3)(974.50854, 1676.5425)(975.5166, 949.29004)(976.5204, 2037.25) 6 949.512 949.512@5.9673896 + 956.5079@5.916523 5.916523 (957.508, 1622.3531)(958.51624, 1719.265)(959.5239, 1160.095) 3 956.5079 956.5079@5.916523 + 450.973@5.9459505 5.9459505 (451.9803, 1559.462) 5 450.973 450.973@5.9459505 + 915.4962@5.9531116 5.9531116 (916.5067, 3650.0496)(917.51044, 1990.742)(918.52765, 2691.0662)(919.5273, 692.22)(920.5477, 952.8)(898.498, 2066.4666)(899.5048, 1246.3184)(900.513, 3149.8333)(901.51715, 1715.9875)(902.529, 4290.3325)(938.4893, 1075.9867)(939.4961, 774.57)(940.5019, 2537.395)(941.5058, 1355.565)(942.5178, 2207.27) 9 915.4962 915.4962@5.9531116 + 835.5782@5.9267645 5.9267645 (836.5858, 2464.9275)(837.58984, 1303.495)(838.56476, 2632.4133)(839.5677, 231.26)(840.5649, 1348.08)(858.5692, 4262.38)(859.5624, 1656.66) 4 835.5782 835.5782@5.9267645 + 959.5253@5.9541683 5.9541683 (960.5283, 1439.9175)(961.527, 911.57007)(962.5428, 1843.4332)(963.5458, 779.5)(964.5572, 522.0)(982.51666, 1036.115)(983.51465, 787.005)(984.52515, 1071.5)(985.5334, 733.67) 4 959.5253 959.5253@5.9541683 + 486.0849@5.9553995 5.9553995 (487.09238, 3045.6162)(488.09485, 813.02997) 15 486.0849 486.0849@5.9553995 + 887.5376@5.9552245 5.9552245 (888.5497, 3746.5679)(889.55145, 1676.594)(890.55597, 6813.618)(891.55676, 3519.0874)(892.5464, 7386.46)(870.536, 2076.14)(871.5516, 910.79)(872.5505, 2216.57)(910.5288, 3390.83)(911.5325, 1847.7)(912.5285, 2435.73) 5 887.5376 887.5376@5.9552245 + 174.1367@5.942917 5.942917 (175.144, 7137.66) 1 174.1367 174.1367@5.942917 + 941.5098@5.9579196 5.9579196 (942.5212, 1683.88)(943.52545, 1258.13)(944.5347, 2285.42)(945.5356, 490.28)(946.5553, 1013.99)(924.5098, 1578.315)(925.51135, 1010.03503)(926.5221, 1551.855)(927.5171, 1035.59)(928.5322, 1961.28)(929.5329, 1197.79)(930.5348, 1374.84)(964.5011, 1033.57)(965.5211, 859.47)(966.5173, 1710.83) 4 941.5098 941.5098@5.9579196 + 892.5378@5.9611206 5.9611206 (893.54205, 5789.3735)(894.5442, 4891.0435)(895.5466, 2142.2383)(915.5124, 1052.4) 8 892.5378 892.5378@5.9611206 + 943.5264@5.958444 5.958444 (944.5371, 2733.6538)(945.5382, 1106.3688)(946.55176, 1875.76)(947.5488, 876.33)(948.54675, 1008.94)(966.5179, 1522.3525)(967.5198, 1224.9233)(968.52716, 1966.19)(969.5273, 1001.68) 8 943.5264 943.5264@5.958444 + 841.5106@5.9579005 5.9579005 (842.51385, 1871.3636)(843.52155, 923.5475)(844.51697, 14609.391)(845.52313, 3895.1826)(846.5468, 9725.356)(847.5501, 3589.17)(848.5583, 5611.09)(849.557, 891.3)(850.5621, 5076.42) 8 841.5106 841.5106@5.9579005 + 902.5283@5.9548626 5.9548626 (903.533, 2253.2048)(904.54926, 1881.49)(905.5449, 1043.7775)(885.5153, 3830.78)(920.5603, 1160.02)(921.5469, 632.17)(922.5478, 789.81)(925.50977, 1996.62) 6 902.5283 902.5283@5.9548626 + 851.5843@5.9480577 5.9480577 (852.59033, 12209.82)(853.59424, 6173.838)(854.5851, 2776.7705)(855.58466, 459.61)(834.58594, 2207.898)(835.5891, 1023.6875)(836.5941, 1614.7875)(837.6075, 1215.52)(874.56744, 1753.7001)(875.5677, 1080.21)(876.568, 3164.5)(877.5695, 2534.82) 25 851.5843 851.5843@5.9480577 + 492.1047@5.9563575 5.9563575 (493.11246, 2428.945) 10 492.1047 492.1047@5.9563575 + 765.4336@5.949097 5.949097 (766.4423, 2098.7427)(767.4425, 1190.828)(768.44446, 2138.9333)(769.44763, 1129.5449)(770.4447, 910.01) 12 765.4336 765.4336@5.949097 + 456.2655@5.9522038 5.9522038 (913.5415, 1573.38)(914.5424, 1683.68)(915.5526, 910.71)(457.2717, 2309.8901)(458.27426, 1064.025) 2 456.2655 456.2655@5.9522038 + C34 H56 Cl N8 O3 S 5.959173 [ C34 H56 Cl N8 O3 S, mfg=91.49, overall=91.49 ] (692.39435, 14476.732)(693.39716, 5547.871)(694.3987, 6348.055)(695.39777, 2448.1301)(709.4303, 736.51) 21 691.3881 C34 H56 Cl N8 O3 S + 1000.655@5.9653254 5.9653254 (1001.6625, 6971.812)(1002.66534, 3878.3792)(1003.6751, 2795.7024)(1004.6797, 1262.274)(1005.6803, 441.63) 34 1000.655 1000.655@5.9653254 + 994.635@5.9651446 5.9651446 (995.64233, 4132.492)(996.6431, 2650.5588)(997.6527, 2081.1055)(998.6573, 956.11255) 31 994.635 994.635@5.9651446 + Irbesartan 5.9553537 C07469 Irbesartan [ C25 H28 N6 O, mfg=54.14, db=53.95, overall=54.05, CAS ID=138402-11-6, KEGG ID=C07469, METLIN ID=66656 ] 138402-11-6 (879.4553, 1041.63)(429.23975, 2432.862)(430.24756, 1028.1766) 10 428.2329 Irbesartan + 974.6399@5.964895 5.964895 (975.64655, 4741.688)(976.65, 2476.044)(977.6533, 1156.584) 29 974.6399 974.6399@5.964895 + Gallopamil 5.9701333 C13764 Gallopamil [ C28 H40 N2 O5, mfg=67.88, db=67.87, overall=67.88, CAS ID=16662-47-8, KEGG ID=C13764, METLIN ID=2999 ] 16662-47-8 (485.30228, 2654.836)(486.30634, 1021.2342)(487.3036, 633.23) 15 484.2948 Gallopamil + C37 H59 O4 S2 5.963038 [ C37 H59 O4 S2, mfg=92.52, overall=92.52 ] (632.39197, 6402.1265)(633.3953, 2385.7349)(634.39844, 1125.4175)(635.4023, 244.6)(654.3761, 1854.04)(655.3795, 1442.59)(656.3925, 1369.19) 20 631.3844 C37 H59 O4 S2 + 865.09@5.968917 5.968917 (866.0973, 2405.44)(867.1034, 682.14) 1 865.09 865.09@5.968917 + 714.3622@5.9768434 5.9768434 (715.36804, 3435.1072)(716.3714, 1462.37)(717.3729, 686.3)(737.3508, 928.308) 7 714.3622 714.3622@5.9768434 + 805.5465@5.9844394 5.9844394 (806.555, 21609.33)(807.5584, 10755.011)(808.57513, 16212.578)(809.5805, 4562.65)(788.54144, 1282.85)(828.5382, 26917.99)(829.5394, 13110.439)(830.5494, 9016.345)(831.55414, 2410.62)(832.5617, 1135.92) 21 805.5465 805.5465@5.9844394 + 591.747@5.983917 5.983917 (592.7543, 3991.2) 1 591.747 591.747@5.983917 + 678.4662@6.0369062 6.0369062 (679.4737, 18071.654)(680.47455, 5129.636)(681.488, 1567.7167)(682.48566, 330.52002)(701.456, 4015.35)(702.4675, 1162.905) 10 678.4662 678.4662@6.0369062 + 675.4467@6.017475 6.017475 (676.45386, 12612.135)(677.4575, 5652.4087)(698.4372, 2635.9102)(699.4413, 1797.53) 25 675.4467 675.4467@6.017475 + C32 H65 N6 O7 S 6.0209956 [ C32 H65 N6 O7 S, mfg=96.66, overall=96.66 ] (678.4705, 43617.97)(679.4739, 14929.666)(680.47424, 4420.1426)(681.48676, 1463.685)(700.45294, 9835.803)(701.4555, 3842.673)(702.466, 2639.3674)(703.4618, 295.78) 23 677.463 C32 H65 N6 O7 S + C30 H55 N3 O8 S 6.0355544 [ C30 H55 N3 O8 S, mfg=92.66, overall=92.66 ] (618.3768, 7668.0024)(619.3801, 2739.115)(620.3834, 1131.2233)(621.3863, 377.44) 19 617.3691 C30 H55 N3 O8 S + 466.2937@6.043887 6.043887 (467.3008, 2344.299)(468.30215, 675.1325)(469.29492, 950.68) 8 466.2937 466.2937@6.043887 + 5-Hydroxytryptophan 6.060743 C01017 5-Hydroxytryptophan [ C11 H12 N2 O3, mfg=86.24, db=86.23, overall=86.23, CAS ID=56-69-9, KEGG ID=C01017, METLIN ID=65553 ] 56-69-9 (221.09224, 8493.214)(222.09593, 1126.4099)(243.07497, 887.9633) 18 220.0849 5-Hydroxytryptophan + 503.259@6.0479193 6.0479193 (504.2663, 1120.46) 1 503.259 503.259@6.0479193 + 444.7826@6.0410814 6.0410814 (912.5543, 728.05)(445.78973, 3397.556)(446.7933, 767.1) 10 444.7826 444.7826@6.0410814 + 105.079@6.079225 6.079225 (106.086266, 28435.979)(107.089485, 2035.6172) 7 105.079 105.079@6.079225 + 379.0203@6.1069536 6.1069536 (380.02762, 2222.1353) 11 379.0203 379.0203@6.1069536 + 147.1063@6.0992846 6.0992846 (148.11351, 18368.78)(149.1147, 1450.4552)(150.1125, 5241.55)(151.1176, 578.19) 29 147.1063 147.1063@6.0992846 + 293.9313@6.1055164 6.1055164 (294.93887, 2251.0723) 9 293.9313 293.9313@6.1055164 + L-Formylkynurenine 6.1699133 C02700 L-Formylkynurenine [ C11 H12 N2 O4, mfg=74.48, db=74.47, overall=74.48, CAS ID=1022-31-7, KEGG ID=C02700, METLIN ID=3373 ] 1022-31-7 (237.0872, 5976.1133)(238.0914, 1194.8536)(239.0877, 526.25)(259.06992, 1255.3267) 14 236.0799 L-Formylkynurenine + N-Methylformamide 6.1738796 C11489 N-Methylformamide [ C8 H9 N O, mfg=59.09, db=59.06, overall=59.07, CAS ID=123-39-7, KEGG ID=C11489, HMP ID=HMDB01122, METLIN ID=58023 ] 123-39-7 (136.0756, 11566.335)(137.07426, 2061.2832) 15 135.0684 N-Methylformamide HMDB01122 + 661.4313@6.1541076 6.1541076 (662.4384, 6549.151)(663.4428, 2502.4592)(664.4536, 5181.628)(665.4574, 2090.2075)(666.4595, 1563.86)(684.4218, 3116.0186)(685.4263, 1370.238)(686.4376, 5967.6025)(687.44086, 2479.205)(688.4457, 1384.1951) 18 661.4313 661.4313@6.1541076 + 771.4447@6.178529 6.178529 (772.4606, 1695.152)(773.46234, 789.34406)(774.4559, 1107.79)(754.4401, 3942.59)(755.4469, 1897.74)(794.44946, 1480.91)(795.46356, 919.52997)(796.45764, 1004.875) 5 771.4447 771.4447@6.178529 + 927.546@6.1852126 6.1852126 (928.55054, 1894.7065)(929.5532, 938.88)(930.55896, 1524.9575)(950.52747, 959.83997) 6 927.546 927.546@6.1852126 + 971.4984@6.2191586 6.2191586 (972.5055, 1677.7858)(973.50757, 969.69073)(974.51855, 1415.6691)(975.5239, 749.1867)(976.5366, 1359.3033)(954.5009, 1258.75)(955.5218, 1018.25)(956.5128, 1675.38)(957.5138, 1271.17)(958.5224, 1137.46) 14 971.4984 971.4984@6.2191586 + 955.5059@6.178035 6.178035 (956.51154, 1988.0231)(957.5134, 1231.2966)(958.52136, 1398.4977)(959.52734, 1001.45996)(960.53296, 645.95)(938.5044, 1383.9468)(939.50793, 1028.68)(940.51605, 1924.1475)(941.51685, 1589.085)(942.5287, 1877.775) 10 955.5059 955.5059@6.178035 + 723.4343@6.167928 6.167928 (724.4421, 1602.7467)(725.4404, 894.25)(726.44244, 3128.7366)(727.4485, 986.70496) 3 723.4343 723.4343@6.167928 + C48 H60 Cl N2 6.1414657 [ C48 H60 Cl N2, mfg=87.14, overall=87.14 ] (700.4517, 9948.094)(701.454, 4230.9873)(702.4531, 3615.3706)(703.4577, 2365.2449)(722.4328, 3693.8398)(723.4401, 6203.61)(724.4513, 8064.02)(725.454, 3246.68)(726.4551, 2062.27) 22 699.444 C48 H60 Cl N2 + 446.1017@6.1711516 6.1711516 (447.1084, 3442.675)(448.1127, 813.8714) 10 446.1017 446.1017@6.1711516 + 856.5658@6.165929 6.165929 (857.5731, 1401.45)(858.5826, 971.86) 1 856.5658 856.5658@6.165929 + 817.6303@6.1842203 6.1842203 (818.63605, 1318.5676)(819.6377, 855.4) 4 817.6303 817.6303@6.1842203 + C18 H5 N3 O3 + 6.176809 6.176809 [ C18 H5 N3 O3, mfg=83.90, overall=83.90 ] (312.04037, 4564.1943)(313.0446, 921.35)(294.03217, 2543.1277) 27 311.0333 C18 H5 N3 O3 + 6.176809 + 379.0219@6.1721363 6.1721363 (380.02762, 1453.29)(362.0195, 3893.5457)(363.0209, 916.7083) 12 379.0219 379.0219@6.1721363 + 664.4503@6.1975594 6.1975594 (665.45734, 5482.91)(666.4569, 1444.29)(667.47253, 1032.3433)(687.44, 2648.94) 7 664.4503 664.4503@6.1975594 + 681.4029@6.170504 6.170504 (682.4094, 1363.62)(683.41675, 795.39996)(684.4208, 3844.15)(685.42535, 1543.86)(686.4373, 7101.26) 3 681.4029 681.4029@6.170504 + C31 H63 N2 O11 S 6.1793346 [ C31 H63 N2 O11 S, mfg=89.13, overall=89.13 ] (672.4207, 54979.555)(673.4241, 20770.705)(674.4341, 8643.602)(675.4385, 2723.07)(689.4524, 1071.7)(694.40625, 867.0475) 29 671.4136 C31 H63 N2 O11 S + 918.5282@6.167753 6.167753 (919.5342, 1501.78)(920.54877, 1127.985)(921.54004, 778.495)(941.5201, 1218.4)(942.5282, 1008.82)(943.5251, 1147.99) 2 918.5282 918.5282@6.167753 + 926.5267@6.2005963 6.2005963 (927.5337, 1380.0668)(928.54834, 1132.575)(929.5493, 922.96497) 6 926.5267 926.5267@6.2005963 + 647.3782@6.19916 6.19916 (648.3851, 7048.8804)(649.3902, 2618.9033)(650.3989, 1652.04) 6 647.3782 647.3782@6.19916 + 783.4292@6.1786075 6.1786075 (784.4369, 1433.8386)(785.439, 728.2872)(786.45087, 923.085)(766.4287, 1347.11)(767.4368, 889.2)(768.4427, 2110.5)(801.4635, 1086.17)(802.4596, 818.63)(806.42084, 885.2067) 7 783.4292 783.4292@6.1786075 + 713.4194@6.193684 6.193684 (714.42664, 3345.6782)(715.4321, 1531.0242)(716.4396, 2414.97)(717.44836, 649.97)(696.421, 4959.67)(697.4267, 2086.35) 10 713.4194 713.4194@6.193684 + C7 H6 Cl N4 O5 6.1856294 [ C7 H6 Cl N4 O5, mfg=47.56, overall=47.56 ] (262.01007, 2646.6267) 11 261.0028 C7 H6 Cl N4 O5 + 842.4466@6.18507 6.18507 (843.4545, 3667.037)(844.4587, 1919.0814)(845.45856, 1090.1063)(846.45276, 464.64) 25 842.4466 842.4466@6.18507 + C7 H16 Cl3 N2 O4 S 6.1888213 [ C7 H16 Cl3 N2 O4 S, mfg=47.61, overall=47.61 ] (329.99695, 3894.8423) 23 328.9895 C7 H16 Cl3 N2 O4 S + 489.2896@6.1829305 6.1829305 (490.2969, 996.63) 1 489.2896 489.2896@6.1829305 + 417.2362@6.185931 6.185931 (418.2435, 2125.5) 1 417.2362 417.2362@6.185931 + 565.8805@6.162142 6.162142 (566.888, 1867.1067) 15 565.8805 565.8805@6.162142 + 663.447@6.1850476 6.1850476 (664.45386, 9491.886)(665.45764, 3665.7412)(666.45935, 1729.9482)(686.43774, 3970.02)(687.44073, 1541.2958)(688.4481, 999.0475) 20 663.447 663.447@6.1850476 + 906.5658@6.247597 6.247597 (907.57227, 1035.435)(908.57947, 852.81494)(909.5924, 899.28) 2 906.5658 906.5658@6.247597 + S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine 6.2065043 C17242 S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine [ C8 H16 N2 O3 S2, mfg=57.00, db=56.94, overall=56.97, CAS ID=, KEGG ID=C17242, METLIN ID=64486 ] (253.06625, 4900.7495)(254.06949, 957.24713) 22 252.0587 S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine + 275.173@6.1989326 6.1989326 (276.1803, 8199.85)(277.1869, 1364.77) 1 275.173 275.173@6.1989326 + C10 H5 O S 6.209123 [ C10 H5 O S, mfg=47.59, overall=47.59 ] (174.01346, 3585.0144) 14 173.006 C10 H5 O S + 164.0678@6.2130737 6.2130737 (165.07498, 2747.2112)(182.10016, 4492.7197)(187.05772, 4491.33)(188.06757, 952.17004) 7 164.0678 164.0678@6.2130737 + 305.1838@6.2023754 6.2023754 (306.19125, 2568.845)(307.1935, 589.39)(288.18045, 2278.7202) 2 305.1838 305.1838@6.2023754 + 798.5392@6.1971474 6.1971474 (799.5444, 1863.2266)(800.5455, 900.5319)(821.531, 659.59)(822.5477, 432.64)(823.5483, 859.84) 6 798.5392 798.5392@6.1971474 + 415.2058@6.203387 6.203387 (416.21323, 1228.7134) 3 415.2058 415.2058@6.203387 + Norepinephrine (noradrenaline) 6.207168 C00547 Norepinephrine (noradrenaline) [ C8 H11 N O3, mfg=58.70, db=58.69, overall=58.70, CAS ID=51-41-2, KEGG ID=C00547, METLIN ID=63 ] 51-41-2 (170.08162, 13425.324)(171.08138, 2426.3635)(172.07239, 988.7934)(152.0737, 1201.21)(187.1093, 1435.85)(192.0646, 1331.1481) 26 169.074 Norepinephrine (noradrenaline) + 240.9924@6.2031736 6.2031736 (242.0021, 1330.318)(223.988, 1653.53) 5 240.9924 240.9924@6.2031736 + 287.0673@6.211754 6.211754 (288.0745, 6104.76)(289.0779, 717.03)(310.05615, 1830.165) 2 287.0673 287.0673@6.211754 + 900.6163@6.208934 6.208934 (901.6235, 1689.85)(902.6276, 1228.45) 1 900.6163 900.6163@6.208934 + 649.4316@6.1234956 6.1234956 (650.4388, 25497.092)(651.4422, 10576.445)(652.44415, 2979.75)(653.4464, 683.72)(672.42084, 16408.602)(673.4242, 6377.5225)(674.4365, 4325.8115)(675.43976, 1590.3433) 12 649.4316 649.4316@6.1234956 + C35 H57 N6 O2 S2 6.2430263 [ C35 H57 N6 O2 S2, mfg=47.61, overall=47.61 ] (658.406, 3777.9502)(659.40955, 1505.8413)(660.4226, 4174.2686)(661.42615, 2154.385)(662.4376, 2281.15)(675.432, 1802.845)(680.3876, 669.95) 17 657.3986 C35 H57 N6 O2 S2 + 286.2252@6.2587314 6.2587314 (287.2324, 3270.4832)(288.23468, 1249.705) 3 286.2252 286.2252@6.2587314 + 915.5634@6.242815 6.242815 (916.5688, 1709.1234)(917.5755, 1134.052)(918.5942, 1217.42) 6 915.5634 915.5634@6.242815 + 354.2@6.252643 6.252643 (726.428, 1042.68)(355.2072, 3125.7217)(356.20978, 1047.328) 13 354.2 354.2@6.252643 + C39 H77 S5 6.2566924 [ C39 H77 S5, mfg=78.02, overall=78.02 ] (706.4651, 20740.393)(707.4691, 8262.297)(708.4762, 5718.355)(709.48236, 3375.985)(723.49414, 1193.06)(728.4461, 1929.4933)(729.4482, 1444.485)(730.43945, 2009.73) 22 705.457 C39 H77 S5 + C41 H65 O4 S2 6.238623 [ C41 H65 O4 S2, mfg=83.18, overall=83.18 ] (686.4371, 6928.9995)(687.4408, 3040.364)(688.4515, 14628.882)(689.4581, 8497.492)(708.42004, 4443.2783)(709.424, 1993.476)(710.4319, 1057.24) 24 685.4304 C41 H65 O4 S2 + 611.7524@6.2719436 6.2719436 (612.7596, 2943.08) 1 611.7524 611.7524@6.2719436 + 621.0975@6.269034 6.269034 (622.1037, 2611.0667)(623.1075, 770.92) 3 621.0975 621.0975@6.269034 + 607.4179@6.274944 6.274944 (608.4252, 1214.38)(609.4292, 632.02) 1 607.4179 607.4179@6.274944 + 619.3468@6.2876997 6.2876997 (620.35394, 5678.4297)(621.3586, 2109.2217)(622.3706, 3981.845)(623.37366, 627.925)(624.3947, 494.2)(602.3425, 612.1) 7 619.3468 619.3468@6.2876997 + 717.4548@6.2585826 6.2585826 (718.4573, 3500.8499)(719.468, 1100.485)(720.4659, 1964.7399)(721.4625, 598.66) 4 717.4548 717.4548@6.2585826 + 859.5211@6.275993 6.275993 (860.52747, 3595.42)(861.53125, 1765.3425)(862.54315, 6470.4175)(863.5467, 3361.9333)(864.5561, 2542.2466)(877.5551, 1891.83)(882.5109, 2516.0867)(883.5166, 1618.1666)(884.5277, 4493.9697)(885.5316, 4016.64)(886.5421, 6870.06) 4 859.5211 859.5211@6.275993 + Velloquercetin 6.3205137 C10194 Velloquercetin [ C20 H16 O7, mfg=64.59, db=64.39, overall=64.49, Lipid ID=LMPK12112283, KEGG ID=C10194, METLIN ID=50699 ] (369.09808, 3669.9138)(370.1015, 1223.63) 28 368.0909 Velloquercetin + LMPK12112283 761.451@6.298948 6.298948 (762.4583, 1620.76)(763.4569, 1034.61) 1 761.451 761.451@6.298948 + 655.3815@6.3289394 6.3289394 (656.3927, 3315.5667)(657.397, 1361.255)(658.4058, 3967.67)(659.4082, 1615.74) 3 655.3815 655.3815@6.3289394 + 781.4403@6.3100367 6.3100367 (782.45074, 1221.76)(783.45935, 807.0975) 4 781.4403 781.4403@6.3100367 + 713.4235@6.318083 6.318083 (714.4313, 4029.1724)(715.4361, 2326.6965) 4 713.4235 713.4235@6.318083 + 865.5471@6.3159146 6.3159146 (866.565, 2337.4333)(867.56647, 1668.6201)(868.5345, 4032.54)(869.5373, 2029.18)(870.548, 5592.62) 3 865.5471 865.5471@6.3159146 + 851.5307@6.3174477 6.3174477 (852.5389, 3885.4863)(853.5418, 2164.9817)(854.5522, 8001.9927)(855.55536, 4061.891)(856.5682, 10558.4375)(857.5713, 2670.01)(858.5824, 3366.64) 12 851.5307 851.5307@6.3174477 + 669.3984@6.276189 6.276189 (670.40564, 4354.022)(671.40845, 1956.9935)(672.4201, 7715.082)(673.4251, 3811.11)(674.4383, 24094.52)(675.4418, 9363.57) 10 669.3984 669.3984@6.276189 + C32 H65 N6 O8 S 6.311493 [ C32 H65 N6 O8 S, mfg=97.35, overall=48.68 ] (694.46497, 44851.453)(695.4684, 16522.615)(696.4685, 5141.932)(697.46844, 1918.1688)(698.4615, 789.25)(711.4912, 1066.69)(716.4467, 14719.773)(717.45013, 6291.565)(718.44507, 5992.1855)(719.45135, 1547.2861)(720.4542, 767.39) 31 693.4578 C32 H65 N6 O8 S + 565.3732@6.3105474 6.3105474 (566.37994, 3247.826)(567.3837, 1273.1273)(568.3834, 914.5025)(588.36426, 1155.1) 12 565.3732 565.3732@6.3105474 + 856.5657@6.319609 6.319609 (857.57245, 5568.7983)(858.5823, 2932.5598)(859.58746, 1598.75) 6 856.5657 856.5657@6.319609 + 654.7727@6.3129506 6.3129506 (655.78, 1078.89) 1 654.7727 654.7727@6.3129506 + C39 H71 O6 S3 6.3228493 [ C39 H71 O6 S3, mfg=63.48, overall=63.48 ] (732.44525, 9239.541)(733.4488, 3982.8245)(734.4628, 3682.982)(735.4734, 1646.51)(714.4315, 1148.09)(715.4426, 662.02)(749.4713, 1802.19)(754.4291, 3135.8933)(755.43164, 1898.423)(756.4411, 2283.5671)(757.44543, 879.73254)(758.45233, 1265.625) 21 731.4379 C39 H71 O6 S3 + 622.4019@6.3304434 6.3304434 (623.41034, 3217.685)(624.4137, 979.09) 2 622.4019 622.4019@6.3304434 + 488.8085@6.3617206 6.3617206 (489.81583, 5512.998)(490.81827, 815.12)(491.80753, 792.4666) 25 488.8085 488.8085@6.3617206 + 944.644@6.35996 6.35996 (945.6512, 1292.25) 1 944.644 944.644@6.35996 + 930.6269@6.35996 6.35996 (931.6342, 1273.96)(932.6398, 683.47) 1 930.6269 930.6269@6.35996 + C36 H53 N7 O5 6.3849897 [ C36 H53 N7 O5, mfg=69.26, overall=69.26 ] (664.41864, 17165.072)(665.42206, 7307.666)(666.4336, 19731.176)(667.4376, 7885.6377)(668.4338, 2125.4167)(669.4369, 663.11)(646.4075, 20339.918)(647.4113, 9636.686)(686.4026, 2806.6702)(687.40674, 1720.7151) 28 663.4112 C36 H53 N7 O5 + 633.3643@6.369719 6.369719 (634.37164, 15032.882)(635.37476, 5377.1934)(656.3527, 3391.475)(657.3549, 1064.3) 12 633.3643 633.3643@6.369719 + 699.4119@6.3388424 6.3388424 (700.42035, 5849.89)(701.4262, 2476.699)(702.43304, 8193.919)(703.43713, 3387.166)(704.4377, 14334.78)(705.4397, 4337.055)(706.4633, 13406.29)(682.4108, 22730.6)(683.4146, 8601.79)(684.4189, 4997.19)(685.4239, 1899.45)(717.4461, 1640.48) 10 699.4119 699.4119@6.3388424 + 626.0942@6.3709626 6.3709626 (627.1015, 2300.7)(628.1057, 609.5) 1 626.0942 626.0942@6.3709626 + 791.532@6.392959 6.392959 (792.5404, 2275.075)(793.5476, 1648.94) 2 791.532 791.532@6.392959 + 757.4362@6.3731027 6.3731027 (758.45557, 1941.2999)(759.46027, 957.905) 4 757.4362 757.4362@6.3731027 + 693.4238@6.399556 6.399556 (694.4312, 8339.867)(695.4341, 3596.465)(696.4286, 1410.4924)(716.4103, 4042.78)(717.4244, 2096.41) 7 693.4238 693.4238@6.399556 + 551.3542@6.4024034 6.4024034 (552.36316, 4623.112)(553.36896, 1508.3134)(574.3486, 708.01) 6 551.3542 551.3542@6.4024034 + 807.5629@6.402088 6.402088 (808.5706, 67952.63)(809.57416, 31282.523)(810.5832, 9195.705)(811.5839, 2917.1035)(812.5848, 923.43)(830.55225, 14602.833)(831.55554, 11024.59) 6 807.5629 807.5629@6.402088 + 406.1807@6.4213295 6.4213295 (407.1885, 1774.4767) 3 406.1807 406.1807@6.4213295 + C14 H12 N2 O3 + 6.42956 6.42956 [ C14 H12 N2 O3, mfg=91.57, overall=45.79 ] (257.0924, 12818.376)(258.09567, 2560.1719)(259.098, 850.61005)(279.07468, 4837.6357)(280.0781, 1399.3451) 17 256.085 C14 H12 N2 O3 + 6.42956 + 693.4317@6.4371543 6.4371543 (694.43787, 1923.735)(695.4416, 730.85) 2 693.4317 693.4317@6.4371543 + 679.4429@6.43191 6.43191 (680.45026, 29820.084)(681.45514, 11122.327)(682.44446, 3780.5254)(683.45264, 368.655)(702.4314, 6230.355) 7 679.4429 679.4429@6.43191 + 647.4148@6.4320765 6.4320765 (648.42236, 6374.264)(649.426, 2505.3582)(670.4018, 1401.19) 9 647.4148 647.4148@6.4320765 + 650.1143@6.44398 6.44398 (651.1216, 2105.46) 1 650.1143 650.1143@6.44398 + C30 H57 N16 O4 S 6.4581103 [ C30 H57 N16 O4 S, mfg=96.97, overall=96.97 ] (738.4535, 9869.892)(739.457, 4034.6167)(740.4523, 1344.161)(741.4713, 217.98)(720.4451, 4898.29) 14 737.447 C30 H57 N16 O4 S + C31 H61 N2 O7 S2 6.4741426 [ C31 H61 N2 O7 S2, mfg=91.16, overall=91.16 ] (638.3982, 9774.666)(639.4022, 3160.5122)(640.40436, 1541.2035)(641.4073, 184.66)(660.3838, 4347.63)(661.3921, 1940.62) 10 637.3946 C31 H61 N2 O7 S2 + C15 H42 N16 S2 6.4764953 [ C15 H42 N16 S2, mfg=86.02, overall=86.02 ] (511.3273, 10985.969)(512.3306, 2096.7466)(513.32336, 1058.8237) 35 510.3201 C15 H42 N16 S2 + 665.3928@6.4788017 6.4788017 (666.3999, 12137.247)(667.40393, 4733.15)(668.40796, 1732.484)(669.4027, 279.24)(683.4223, 959.085)(688.3811, 3423.616)(689.3853, 1443.8281)(690.3981, 1474.78) 16 665.3928 665.3928@6.4788017 + 647.3811@6.5007052 6.5007052 (648.391, 4468.8013)(649.39307, 1759.2113)(665.421, 1336.14) 14 647.3811 647.3811@6.5007052 + 174.1367@6.500996 6.500996 (175.144, 18352.65) 1 174.1367 174.1367@6.500996 + 757.4524@6.5290046 6.5290046 (758.4597, 1599.6)(759.4609, 853.38) 1 757.4524 757.4524@6.5290046 + 665.1244@6.534006 6.534006 (666.1317, 1612.64) 1 665.1244 665.1244@6.534006 + 665.4329@6.515478 6.515478 (666.4334, 9490.677)(667.43634, 3828.2703)(668.43414, 1300.1516)(688.4107, 1943.97)(689.4243, 906.535)(690.4282, 2156.6) 6 665.4329 665.4329@6.515478 + 733.4527@6.5460753 6.5460753 (734.4596, 5189.031)(735.46265, 2534.7964)(736.45844, 2911.5752) 15 733.4527 733.4527@6.5460753 + 722.4248@6.573019 6.573019 (723.432, 1052.9)(724.4342, 250.0) 1 722.4248 722.4248@6.573019 + 749.4835@6.5985503 6.5985503 (750.4882, 13883.737)(751.4917, 5928.413)(752.50104, 5389.302)(753.50726, 2787.336)(754.5088, 140.32)(772.47095, 4270.3)(773.4736, 1131.565)(774.4797, 1718.3) 10 749.4835 749.4835@6.5985503 + 570.3489@6.6344304 6.6344304 (1141.7007, 1773.33)(1142.6974, 1144.22)(1143.7029, 1067.91)(1163.6843, 852.99)(1164.6863, 886.02)(1165.6971, 986.8)(1166.7017, 888.27)(1167.7097, 1374.66)(571.35657, 5672.3)(572.3661, 1336.4)(573.3671, 761.02) 4 570.3489 570.3489@6.6344304 + 659.3858@6.6298547 6.6298547 (660.3885, 2977.395)(661.4009, 1409.6875)(662.4009, 766.27)(682.3758, 1209.25)(683.378, 524.12) 4 659.3858 659.3858@6.6298547 + 569.3449@6.6629753 6.6629753 (570.35205, 38925.625)(571.35693, 11759.9375) 5 569.3449 569.3449@6.6629753 + 589.3142@6.634692 6.634692 (590.32166, 77899.66)(591.3247, 25438.645)(592.3354, 11023.355)(593.33954, 3961.03) 8 589.3142 589.3142@6.634692 + 635.3803@6.623413 6.623413 (636.38715, 26080.887)(637.3907, 8985.045)(658.3718, 15719.27)(659.3755, 6296.82)(660.3851, 36718.36)(661.3898, 12890.82) 15 635.3803 635.3803@6.623413 + C40 H67 O8 S2 6.632853 [ C40 H67 O8 S2, mfg=94.82, overall=94.82 ] (740.4344, 10654.861)(741.43823, 4907.135)(742.4372, 2107.4927)(743.43726, 1227.4401)(762.4196, 4835.3853)(763.42633, 3146.8867) 27 739.4269 C40 H67 O8 S2 + 679.7988@6.6390424 6.6390424 (680.806, 1310.37) 1 679.7988 679.7988@6.6390424 + 870.5428@6.641043 6.641043 (871.5501, 1215.27)(872.565, 909.48)(873.5663, 753.92) 1 870.5428 870.5428@6.641043 + 602.3393@6.659264 6.659264 (603.347, 4277.8057)(604.3506, 1443.4584)(605.3579, 1083.49) 7 602.3393 602.3393@6.659264 + 781.4444@6.662023 6.662023 (782.4531, 1937.07)(783.4537, 1465.375)(784.43896, 2122.415)(785.4479, 302.955)(786.4478, 1381.625) 3 781.4444 781.4444@6.662023 + 809.5898@6.6560006 6.6560006 (810.59705, 6577.834)(811.6004, 2442.8274)(812.60706, 992.9357) 13 809.5898 809.5898@6.6560006 + 599.3899@6.6473126 6.6473126 (600.39825, 4588.1997)(601.40063, 1613.7633)(602.40485, 6591.9062)(603.4062, 2094.26)(604.42505, 2054.5251) 3 599.3899 599.3899@6.6473126 + 624.3831@6.6192355 6.6192355 (625.3897, 1608.73)(626.3943, 1088.82) 3 624.3831 624.3831@6.6192355 + 725.5524@6.6654496 6.6654496 (726.5594, 7645.872)(727.5643, 2127.2866)(728.5767, 862.734) 20 725.5524 725.5524@6.6654496 + C44 H58 Cl O S 6.6572156 [ C44 H58 Cl O S, mfg=60.17, overall=60.17 ] (670.39264, 4656.562)(671.395, 2033.818)(672.3927, 4473.354)(673.4083, 4455.77)(674.4005, 13202.57)(675.4051, 5155.67)(676.4142, 1865.77)(692.3748, 2521.0742)(693.3826, 1314.0466)(694.3862, 1310.45) 18 669.3854 C44 H58 Cl O S + 623.38@6.624153 6.624153 (624.3888, 14247.247)(625.39105, 5010.0854)(626.3881, 4742.945)(627.39276, 2723.2449)(641.4126, 3029.1)(646.37286, 7042.357)(647.3738, 3014.0176)(648.3849, 4946.995)(649.3845, 614.75) 14 623.38 623.38@6.624153 + 653.3283@6.659033 6.659033 (654.33716, 4880.184)(655.3386, 1996.8033)(656.35236, 1802.0719) 17 653.3283 653.3283@6.659033 + 721.4513@6.6575513 6.6575513 (722.4592, 40794.06)(723.4625, 17255.697)(724.4715, 17702.912)(725.47473, 6079.633)(726.47656, 3893.7002)(739.4923, 2048.69)(744.4413, 12751.959)(745.444, 5467.06)(746.45544, 9312.3)(747.4581, 4578.565)(748.4447, 2051.17)(749.4441, 597.74) 9 721.4513 721.4513@6.6575513 + 667.4154@6.66145 6.66145 (668.4226, 5059.4536)(669.426, 2260.049)(650.418, 1779.44) 12 667.4154 667.4154@6.66145 + 295.0019@6.6550484 6.6550484 (296.0091, 1506.67) 1 295.0019 295.0019@6.6550484 + 629.3656@6.6923523 6.6923523 (630.37317, 4277.8975)(631.3799, 2093.0068)(632.3699, 38067.047) 10 629.3656 629.3656@6.6923523 + 336.2048@6.662973 6.662973 (673.41504, 4840.041)(674.4048, 3312.6948)(675.41125, 1777.315)(695.4036, 3547.3)(696.4077, 3099.065)(697.414, 2966.06)(698.40955, 1301.6799)(699.41394, 1153.905)(337.21262, 2941.011)(338.21497, 876.41327) 11 336.2048 336.2048@6.662973 + 356.1621@6.683059 6.683059 (357.1694, 1274.51) 1 356.1621 356.1621@6.683059 + C29 H52 Cl N8 O3 6.691564 [ C29 H52 Cl N8 O3, mfg=96.79, overall=96.79 ] (596.3904, 9286.378)(597.3951, 3038.6794)(598.3898, 1614.235)(599.3867, 376.53)(618.37555, 10371.175)(619.3786, 3627.8936)(620.3722, 3606.442)(621.359, 993.23) 16 595.385 C29 H52 Cl N8 O3 + 721.4516@6.693625 6.693625 (722.45154, 9887.256)(723.4535, 4401.57)(724.47144, 10161.16)(704.4406, 1075.55)(744.4417, 10171.86)(745.4449, 4844.4136) 11 721.4516 721.4516@6.693625 + 725.4126@6.6986723 6.6986723 (726.42706, 3849.336)(727.4347, 1440.8876)(728.4139, 2239.26)(729.4146, 1243.2)(748.4013, 3522.37)(749.4014, 1687.64) 5 725.4126 725.4126@6.6986723 + C31 H47 N9 O2 6.7052217 [ C31 H47 N9 O2, mfg=76.67, overall=76.67 ] (578.39294, 95570.305)(579.3965, 31837.396) 35 577.3859 C31 H47 N9 O2 + C34 H39 N10 6.702514 [ C34 H39 N10, mfg=75.52, overall=75.52 ] (588.3427, 2638.6746)(589.3465, 1021.63873) 17 587.3364 C34 H39 N10 + 753.4213@6.6918154 6.6918154 (754.4327, 3169.1914)(755.4333, 1405.1229)(756.4364, 2152.222)(771.4581, 1116.77) 7 753.4213 753.4213@6.6918154 + 729.4167@6.6866484 6.6866484 (730.42413, 4193.577)(731.42816, 2141.6768)(732.4419, 4207.23)(733.4472, 1823.07)(712.4141, 1303.6)(713.422, 545.68)(714.398, 1085.85)(715.4128, 746.56) 7 729.4167 729.4167@6.6866484 + 529.8161@6.714218 6.714218 (1060.6406, 2288.81)(530.8236, 5212.673)(531.82855, 1203.3009) 20 529.8161 529.8161@6.714218 + C41 H61 O2 S3 6.7208576 [ C41 H61 O2 S3, mfg=76.60, overall=76.60 ] (682.3936, 6765.494)(683.39734, 3443.7852)(684.3831, 1956.2101)(664.3794, 1293.1)(704.3742, 1724.8799)(705.3792, 970.52) 11 681.3862 C41 H61 O2 S3 + 744.4354@6.7200747 6.7200747 (745.4427, 2870.66)(746.4492, 1492.69)(747.4494, 902.4) 1 744.4354 744.4354@6.7200747 + 719.4374@6.7519655 6.7519655 (720.4443, 5303.973)(721.44794, 2412.1223)(722.4397, 3070.4224)(723.4409, 1599.79)(724.4389, 1631.16)(742.42694, 1697.9535)(743.4293, 1245.31) 15 719.4374 719.4374@6.7519655 + 781.4385@6.7155 6.7155 (782.4449, 1281.34)(783.44696, 900.44)(784.4377, 3032.9502)(785.4414, 1617.04)(786.447, 1565.4733) 3 781.4385 781.4385@6.7155 + 739.4152@6.745642 6.745642 (740.4255, 1543.94)(741.43555, 1005.87665)(742.42816, 2587.4602)(743.4281, 1585.28)(744.4392, 6718.78) 3 739.4152 739.4152@6.745642 + 624.3829@6.725272 6.725272 (625.39026, 35539.977)(626.39307, 10645.26)(627.39594, 2520.5103) 5 624.3829 624.3829@6.725272 + 624.3131@6.7200327 6.7200327 (625.32056, 1698.385)(626.3146, 842.52) 2 624.3131 624.3131@6.7200327 + PS(22:4(7Z,10Z,13Z,16Z)/0:0) 6.735529 PS(22:4(7Z,10Z,13Z,16Z)/0:0) [ C28 H48 N O9 P, db=32.58, overall=32.58, Lipid ID=LMGP03050014, METLIN ID=78841 ] (1164.6523, 584.28)(574.3162, 4941.5464)(575.3194, 1856.2876)(576.32574, 6235.725)(577.33435, 5086.4053) 22 573.3095 PS(22:4(7Z,10Z,13Z,16Z)/0:0) + LMGP03050014 665.4052@6.693074 6.693074 (666.40063, 2870.158)(667.4075, 1162.114)(668.39325, 4736.9434)(669.3923, 1579.9135)(648.385, 1870.8)(649.3896, 956.79) 5 665.4052 665.4052@6.693074 + 725.5523@6.726077 6.726077 (726.5596, 7542.56)(727.5638, 2553.99)(728.5739, 875.63) 1 725.5523 725.5523@6.726077 + 667.3699@6.7273407 6.7273407 (668.37823, 7456.327)(669.3788, 2819.411)(690.3578, 1247.14) 10 667.3699 667.3699@6.7273407 + 722.5318@6.7104425 6.7104425 (723.53937, 1897.145)(724.5419, 1136.075)(725.5558, 18109.27) 2 722.5318 722.5318@6.7104425 + C34 H45 O7 6.71297 [ C34 H45 O7, mfg=88.44, overall=88.44 ] (1148.6624, 1039.9)(566.32306, 113521.48)(567.32605, 36011.54)(568.338, 6132.92)(569.3437, 1685.84)(570.3525, 2656.78) 14 565.3141 C34 H45 O7 + 553.387@6.749968 6.749968 (554.3938, 48918.137)(555.3953, 15530.297)(556.39777, 3822.498)(557.408, 1521.72) 6 553.387 553.387@6.749968 + 791.4972@6.758506 6.758506 (1583.9995, 3161.185)(1585.0123, 4000.79)(1586.0172, 2915.215)(792.50336, 6755.796)(793.51245, 6344.6353)(814.4891, 2531.2834)(815.4833, 1518.52)(816.5011, 2648.47) 8 791.4972 791.4972@6.758506 + C31 H53 Cl2 S 6.7299876 [ C31 H53 Cl2 S, mfg=47.62, overall=47.62 ] (1055.6458, 1910.57)(1077.637, 3712.0164)(1078.6428, 3021.6067)(1079.6508, 3341.1035)(528.33, 4043.4744)(529.33276, 1529.437)(530.3225, 3566.1228)(531.3265, 2121.7925)(532.3375, 13714.48)(533.3417, 723.96)(510.3178, 2214.94)(550.3137, 1532.785) 16 527.3219 C31 H53 Cl2 S + 812.9813@6.723764 6.723764 (813.9906, 10932.93)(814.99615, 7091.0806)(816.00476, 8122.9507)(831.02075, 1286.9976)(832.0268, 1247.27)(832.9956, 1114.2) 27 812.9813 812.9813@6.723764 + 705.4256@6.6799254 6.6799254 (706.4302, 2001.2767)(707.4336, 938.68005)(708.4376, 4536.8)(709.43555, 1904.505)(710.4408, 6100.4453)(711.4448, 2076.025)(712.4342, 3538.805)(723.4613, 1309.23)(728.4179, 3295.68)(729.4189, 2074.66)(730.4249, 6425.67)(731.4293, 2347.06)(732.4438, 6592.16) 3 705.4256 705.4256@6.6799254 + 779.498@6.7233996 6.7233996 (780.50507, 9167.256)(781.50903, 1900.8654)(802.4901, 10327.91)(803.4947, 4246.26)(804.505, 8617.61)(805.5118, 2819.79) 14 779.498 779.498@6.7233996 + 717.4194@6.735081 6.735081 (718.4267, 3814.61)(719.4325, 1573.78) 1 717.4194 717.4194@6.735081 + 692.3398@6.73204 6.73204 (693.34985, 2509.475)(694.3448, 1099.985)(695.3587, 1003.19) 2 692.3398 692.3398@6.73204 + C35 H53 N6 O3 6.7292995 [ C35 H53 N6 O3, mfg=73.96, overall=73.96 ] (606.42523, 3601.956)(607.4293, 1427.7719) 18 605.4172 C35 H53 N6 O3 + 957.5184@6.6926823 6.6926823 (958.5271, 1245.6024)(959.5271, 764.1675)(960.5405, 1037.2151)(961.5264, 689.65) 4 957.5184 957.5184@6.6926823 + Mycobactin S 6.7312994 C12216 Mycobactin S [ C44 H69 N5 O10, db=59.71, overall=59.71, CAS ID=26769-11-9, KEGG ID=C12216, METLIN ID=69367 ] 26769-11-9 (828.5087, 7616.746)(829.5116, 3591.8865)(830.51807, 3234.1882)(831.51685, 999.61835)(832.51215, 1532.2599) 32 827.4997 Mycobactin S + 686.3855@6.729218 6.729218 (687.39325, 5087.8086)(688.4009, 2695.8801)(689.4084, 1295.2866) 7 686.3855 686.3855@6.729218 + C35 H40 Cl N9 6.715419 [ C35 H40 Cl N9, mfg=72.39, overall=72.39 ] (622.3144, 4130.431)(623.3178, 1719.4491)(624.3217, 1707.4341)(604.30914, 1238.06) 22 621.3057 C35 H40 Cl N9 + 877.5378@6.745449 6.745449 (878.5385, 2078.34)(879.5389, 989.75336)(880.5348, 811.69495)(900.5199, 820.5) 3 877.5378 877.5378@6.745449 + 894.5326@6.6972885 6.6972885 (895.5425, 1092.855)(896.54626, 629.595)(897.5281, 902.57) 2 894.5326 894.5326@6.6972885 + 856.513@6.7368712 6.7368712 (857.52637, 2155.2866)(858.517, 1907.5133)(859.5168, 1781.7) 3 856.513 856.513@6.7368712 + 735.4292@6.7450395 6.7450395 (736.4429, 3104.26)(737.4439, 1579.962)(738.4405, 1212.1385)(739.4458, 863.17004)(740.4714, 1167.79)(718.42725, 8234.183)(719.4302, 5386.12)(720.4322, 1630.08)(758.4232, 1719.54)(759.4279, 1077.44) 10 735.4292 735.4292@6.7450395 + 236.1247@6.7430844 6.7430844 (237.132, 5588.15)(238.1358, 903.9) 1 236.1247 236.1247@6.7430844 + C24 H39 N21 6.707736 [ C24 H39 N21, mfg=63.19, overall=63.19 ] (622.3723, 8660.796)(623.37744, 3229.8977)(624.3868, 20641.545)(625.39014, 4842.1523)(644.3542, 1958.6602)(645.3695, 805.07) 25 621.3664 C24 H39 N21 + 859.5019@6.718344 6.718344 (860.51044, 3316.3345)(861.5168, 1488.975)(862.5283, 1312.7067)(863.5353, 227.17) 5 859.5019 859.5019@6.718344 + 841.5214@6.7419643 6.7419643 (842.5258, 4563.5645)(843.52386, 2399.1833)(844.5182, 2423.6824) 16 841.5214 841.5214@6.7419643 + Tetranactin 6.746477 C06764 Tetranactin [ C44 H72 O12, db=37.73, overall=37.73, CAS ID=33956-61-5, KEGG ID=C06764, METLIN ID=66529 ] 33956-61-5 (1603.0582, 1418.18)(793.51276, 5869.0776) 16 792.5061 Tetranactin + 1016.6783@6.7474494 6.7474494 (1017.6861, 12076.812)(1018.69, 6182.424)(1019.7024, 60778.08)(1039.6683, 10295.37)(1040.672, 6070.28) 24 1016.6783 1016.6783@6.7474494 + 896.6271@6.7476807 6.7476807 (897.6365, 1581.8383)(898.63116, 1215.0883) 6 896.6271 896.6271@6.7476807 + 835.4989@6.7490873 6.7490873 (836.5062, 1092.9)(837.5133, 1382.5)(838.5025, 978.51) 1 835.4989 835.4989@6.7490873 + 740.3584@6.7500873 6.7500873 (741.3656, 1934.09) 1 740.3584 740.3584@6.7500873 + 1247.9094@6.733223 6.733223 (1248.9166, 1665.6533)(1249.9218, 1427.216)(1250.9314, 854.72) 6 1247.9094 1247.9094@6.733223 + 836.0029@6.753269 6.753269 (837.01184, 1902.652)(838.0125, 1467.638)(839.0051, 2424.96) 5 836.0029 836.0029@6.753269 + 870.5373@6.7561126 6.7561126 (871.5428, 3824.3743)(872.55, 1739.7701)(873.53894, 1968.7949) 5 870.5373 870.5373@6.7561126 + 686.274@6.742052 6.742052 (687.2799, 2269.9146)(688.2836, 1296.347) 11 686.274 686.274@6.742052 + C39 H49 S4 6.71664 [ C39 H49 S4, mfg=77.95, overall=77.95 ] (646.2786, 2307.4062)(647.2825, 1319.89)(648.2812, 880.18) 21 645.2706 C39 H49 S4 + 1054.6934@6.7480025 6.7480025 (1055.7004, 14910.606)(1056.7039, 8731.786)(1057.6985, 3503.9216)(1058.6954, 1534.9498)(1077.6871, 7364.836)(1078.6921, 10451.955)(1079.6995, 20062.664)(1080.7045, 14871.285)(1081.7114, 8392.525)(1082.7085, 3786.065)(1083.7283, 7183.535) 25 1054.6934 1054.6934@6.7480025 + 816.0038@6.743983 6.743983 (1633.0182, 1275.2017)(1634.0227, 1361.37)(1635.0206, 1472.05)(817.01117, 8290.592)(838.9966, 4883.96)(840.008, 4439.28)(841.0119, 3575.58) 27 816.0038 816.0038@6.743983 + 754.2621@6.7520885 6.7520885 (755.2694, 1581.29) 1 754.2621 754.2621@6.7520885 + 667.416@6.7520885 6.7520885 (668.4233, 1285.64)(669.425, 672.23) 1 667.416 667.416@6.7520885 + 849.0145@6.760093 6.760093 (850.01825, 1429.7367) 3 849.0145 849.0145@6.760093 + 1068.2021@6.756485 6.756485 (1069.2095, 31551.375)(1070.2168, 30173.541)(1071.2203, 7482.943)(1072.218, 1281.425)(1091.1931, 1315.945)(1092.1968, 692.66)(1093.1678, 920.19) 29 1068.2021 1068.2021@6.756485 + 1152.6885@6.744862 6.744862 (1153.6947, 1417.6699)(1154.6976, 1400.1434)(1155.7112, 1547.2319)(1156.7178, 1368.59)(1157.7167, 853.11)(1135.686, 2621.84)(1136.6892, 2223.5151)(1137.7007, 5386.72) 8 1152.6885 1152.6885@6.744862 + 601.3393@6.7743893 6.7743893 (602.3458, 6741.59)(603.3485, 2387.41)(604.3498, 1712.9901) 6 601.3393 601.3393@6.7743893 + 1193.7155@6.7614183 6.7614183 (1194.7225, 2861.55)(1195.7244, 2047.446)(1196.7368, 3127.1726)(1197.7404, 1758.66)(1198.7393, 711.04) 5 1193.7155 1193.7155@6.7614183 + 1238.7645@6.7604575 6.7604575 (1239.7714, 2529.6887)(1240.7755, 1687.3417)(1241.7792, 1196.37) 7 1238.7645 1238.7645@6.7604575 + 600.3258@6.823149 6.823149 (601.3286, 4025.7803)(602.338, 1053.615) 4 600.3258 600.3258@6.823149 + 1082.6433@6.7625556 6.7625556 (1083.6605, 4973.8086)(1084.662, 3525.7053)(1085.6536, 60690.457)(1100.685, 2914.0) 14 1082.6433 1082.6433@6.7625556 + 589.3352@6.7677593 6.7677593 (590.3418, 3442.005)(591.3441, 1695.99)(612.3253, 4168.01)(613.33, 1581.24) 2 589.3352 589.3352@6.7677593 + 149.0063@6.8420577 6.8420577 (150.0136, 2181.9001) 3 149.0063 149.0063@6.8420577 + 731.3838@6.7660947 6.7660947 (732.391, 1517.47)(733.3855, 621.93) 1 731.3838 731.3838@6.7660947 + 1236.7494@6.7668104 6.7668104 (1237.7572, 2308.33)(1238.7618, 1657.2476)(1239.7722, 3883.455)(1240.7754, 2573.755)(1241.7825, 1009.235) 4 1236.7494 1236.7494@6.7668104 + 747.4344@6.7400064 6.7400064 (748.4411, 2929.2)(749.44604, 964.5867)(750.4601, 1333.06)(770.4255, 1950.38)(771.4292, 909.03)(772.4376, 1413.72) 5 747.4344 747.4344@6.7400064 + 751.4605@6.764782 6.764782 (752.47144, 3172.955)(753.4811, 1072.225) 2 751.4605 751.4605@6.764782 + 670.3542@6.774078 6.774078 (671.36194, 5663.709)(672.3684, 2462.7349)(673.378, 4353.525)(674.3834, 1682.98) 13 670.3542 670.3542@6.774078 + 609.3957@6.7711587 6.7711587 (610.39844, 23052.566)(611.3988, 8245.2)(612.4007, 2912.472)(613.4008, 525.7033)(632.3862, 3766.73)(633.3898, 1477.855)(634.388, 2080.53)(635.3933, 1228.71) 7 609.3957 609.3957@6.7711587 + 681.422@6.77215 6.77215 (682.42883, 9280.737)(683.4316, 3832.3042)(684.42926, 1441.835)(704.4131, 3756.2063)(705.4176, 1964.7325)(706.4306, 1535.87) 9 681.422 681.422@6.77215 + C20 H52 Cl3 N13 S 6.767977 [ C20 H52 Cl3 N13 S, mfg=47.62, overall=47.62 ] (612.32556, 5959.953)(613.32947, 2140.1233)(614.3395, 9865.837)(615.3435, 3344.455)(616.3472, 1540.05)(629.3502, 1272.94)(634.3147, 1857.31) 32 611.318 C20 H52 Cl3 N13 S + 1096.67@6.7628865 6.7628865 (1097.6704, 5243.607)(1098.6747, 4207.6855)(1099.6827, 3724.3562)(1119.6621, 2439.92)(1120.6597, 1737.86) 13 1096.67 1096.67@6.7628865 + 726.5575@6.686727 6.686727 (727.56537, 2174.25)(728.57434, 789.25) 4 726.5575 726.5575@6.686727 + 804.5056@6.7669525 6.7669525 (805.5127, 14118.3125)(806.5203, 4762.25)(807.5279, 2808.28)(787.5018, 1231.92)(822.5379, 1288.82) 11 804.5056 804.5056@6.7669525 + 1065.1815@6.749444 6.749444 (1066.1863, 9790.314)(1067.1936, 10424.103)(1068.2019, 27863.5)(1088.1741, 4773.42)(1089.1815, 3963.0952)(1090.1882, 7587.0273)(1091.1934, 4635.3823)(1092.1995, 2760.4526)(1093.2042, 1229.13) 20 1065.1815 1065.1815@6.749444 + 769.4184@6.7184334 6.7184334 (770.42523, 1631.9033)(771.4273, 998.11993)(772.43884, 1986.32)(773.4461, 1358.08)(774.4375, 990.76) 3 769.4184 769.4184@6.7184334 + 675.4119@6.769869 6.769869 (676.41864, 3810.125)(677.4237, 963.31)(678.4163, 1469.4) 2 675.4119 675.4119@6.769869 + 840.5142@6.760706 6.760706 (841.5203, 3350.4802)(842.5132, 2003.4451)(843.5232, 1191.07) 11 840.5142 840.5142@6.760706 + 804.0036@6.7734084 6.7734084 (1609.0151, 1354.33)(805.01056, 18803.434) 12 804.0036 804.0036@6.7734084 + 867.5034@6.774864 6.774864 (868.512, 3102.4465)(869.5242, 2788.085)(870.52563, 5319.49)(871.5344, 2081.83)(872.5445, 1718.65)(890.4935, 763.92) 3 867.5034 867.5034@6.774864 + 733.4246@6.798008 6.798008 (734.4277, 2445.8982)(735.42755, 1280.078)(736.4392, 2224.58) 6 733.4246 733.4246@6.798008 + C38 H43 Cl2 N O 6.704553 [ C38 H43 Cl2 N O, mfg=41.31, overall=41.31 ] (600.27936, 2245.0505)(601.2824, 944.4667)(602.28143, 1724.333)(603.2909, 908.88)(604.2969, 1083.99) 23 599.2722 C38 H43 Cl2 N O + 727.4068@6.7711153 6.7711153 (728.41364, 2249.6755)(729.4204, 1322.198)(730.4238, 3930.33)(745.4432, 3143.3) 7 727.4068 727.4068@6.7711153 + 1136.6638@6.788754 6.788754 (1137.671, 4227.103)(1138.672, 3050.8584)(1139.6897, 2895.382)(1159.6547, 937.45)(1160.6461, 842.5) 7 1136.6638 1136.6638@6.788754 + 668.339@6.7869086 6.7869086 (669.34625, 6101.7856)(670.34875, 2385.8433)(671.36224, 2797.935) 12 668.339 668.339@6.7869086 + 589.2793@6.786649 6.786649 (590.28845, 3441.0967)(591.2872, 1561.7219)(592.3008, 1553.81) 6 589.2793 589.2793@6.786649 + 682.2424@6.728314 6.728314 (683.2496, 1599.81)(684.2521, 1018.32)(685.2651, 1734.84) 6 682.2424 682.2424@6.728314 + 853.4901@6.784056 6.784056 (854.49756, 1054.3066)(855.5056, 909.7867)(856.4933, 889.16003)(836.4883, 1336.72)(837.5006, 1361.72)(838.4935, 1620.25) 3 853.4901 853.4901@6.784056 + 694.3567@6.7911067 6.7911067 (695.3639, 1731.86) 1 694.3567 694.3567@6.7911067 + 865.4852@6.7879252 6.7879252 (866.497, 1887.4233)(867.5114, 1674.2734)(868.5174, 1916.6) 3 865.4852 865.4852@6.7879252 + 641.2389@6.708193 6.708193 (642.24713, 2284.135)(643.251, 1119.078)(644.2623, 2674.28) 29 641.2389 641.2389@6.708193 + C25 H45 N12 S3 6.791289 [ C25 H45 N12 S3, mfg=85.50, overall=85.50 ] (610.311, 8302.952)(611.31433, 2770.0564)(612.3189, 1558.84) 20 609.3028 C25 H45 N12 S3 + 1120.6385@6.79811 6.79811 (1121.6459, 1178.26)(1122.6302, 1365.52)(1123.6469, 998.55) 1 1120.6385 1120.6385@6.79811 + 1114.676@6.790381 6.790381 (1115.6826, 2537.54)(1116.6821, 1706.8483)(1117.6533, 2745.765)(1118.6537, 1530.8134)(1119.6672, 2881.87)(1137.6726, 2484.33)(1138.6776, 1781.11) 6 1114.676 1114.676@6.790381 + 1048.6473@6.7825966 6.7825966 (1049.655, 19180.861)(1050.6586, 17291.346)(1051.6686, 20260.082)(1052.673, 11572.714)(1053.6821, 8306.258) 28 1048.6473 1048.6473@6.7825966 + 569.3448@6.7600985 6.7600985 (570.3462, 10297.365)(571.3509, 3104.04) 2 569.3448 569.3448@6.7600985 + 1090.6794@6.803774 6.803774 (1091.683, 4070.934)(1092.6808, 2876.8738)(1113.6693, 1928.0)(1114.6713, 1405.3234)(1115.6836, 3198.385)(1116.6879, 2262.48) 13 1090.6794 1090.6794@6.803774 + 644.3388@6.8213806 6.8213806 (645.34515, 3399.1033)(646.3504, 1801.3999) 3 644.3388 644.3388@6.8213806 + 57.0577@6.8207846 6.8207846 (58.0649, 7999.55) 2 57.0577 57.0577@6.8207846 + C38 H53 O5 S 6.8070807 [ C38 H53 O5 S, mfg=80.87, overall=80.87 ] (622.3673, 9060.858)(623.3731, 3974.298)(624.3823, 1731.365)(644.3546, 2888.21)(645.3553, 1420.8) 30 621.3581 C38 H53 O5 S + 806.4706@6.872109 6.872109 (807.47974, 1127.4166)(808.4911, 681.47) 3 806.4706 806.4706@6.872109 + 707.4028@6.8058686 6.8058686 (708.40955, 6170.0586)(709.41266, 2713.8762)(710.4203, 2100.4524)(690.4066, 915.43)(730.393, 1627.99)(731.4082, 747.89) 10 707.4028 707.4028@6.8058686 + 1054.1292@6.8283324 6.8283324 (1055.1392, 1906.9933)(1056.1417, 2274.39) 3 1054.1292 1054.1292@6.8283324 + 1067.1372@6.821304 6.821304 (1068.1442, 1964.2751)(1069.1482, 1573.0801) 4 1067.1372 1067.1372@6.821304 + 1066.6522@6.821094 6.821094 (1067.6587, 2103.18)(1068.6482, 2002.885)(1069.644, 4556.0)(1070.6483, 2718.88)(1071.6447, 3655.08) 2 1066.6522 1066.6522@6.821094 + 1077.1444@6.800596 6.800596 (1078.1559, 1969.2625)(1079.1554, 2217.5225)(1080.1572, 2465.1333) 4 1077.1444 1077.1444@6.800596 + 1034.6298@6.787458 6.787458 (1035.6382, 2586.01)(1036.643, 1751.2168)(1037.6534, 63557.28)(1052.6743, 6880.92) 6 1034.6298 1034.6298@6.787458 + 1055.1356@6.834393 6.834393 (1056.142, 2629.2737)(1057.1477, 1772.0432) 11 1055.1356 1055.1356@6.834393 + 1071.622@6.8271236 6.8271236 (1072.6292, 2079.58)(1073.6298, 1497.96) 1 1071.622 1071.622@6.8271236 + 1055.6404@6.8341017 6.8341017 (1056.646, 3043.082)(1057.6531, 1587.752)(1073.6674, 1665.845) 9 1055.6404 1055.6404@6.8341017 + 1041.6364@6.840966 6.840966 (1042.6414, 3469.7524)(1043.6414, 2787.7964)(1044.6382, 1431.39) 13 1041.6364 1041.6364@6.840966 + 794.4656@6.8340807 6.8340807 (795.4747, 2191.4175)(796.4699, 1559.59) 4 794.4656 794.4656@6.8340807 + 1112.5774@6.8335185 6.8335185 (1113.5826, 1950.55)(1114.5883, 1419.1057) 7 1112.5774 1112.5774@6.8335185 + 807.4758@6.853411 6.853411 (808.47894, 2280.8533)(809.4842, 1214.9166)(810.4668, 1600.79) 3 807.4758 807.4758@6.853411 + 590.2548@6.8301253 6.8301253 (591.2621, 1788.11) 1 590.2548 590.2548@6.8301253 + 793.9618@6.839255 6.839255 (794.96936, 2558.482)(795.96924, 1836.902) 5 793.9618 793.9618@6.839255 + C37 H45 S4 6.8430095 [ C37 H45 S4, mfg=83.51, overall=83.51 ] (618.2478, 3210.023)(619.2514, 1334.5199)(620.2497, 1040.6) 27 617.2397 C37 H45 S4 + C31 H63 N6 O9 S 6.8482146 [ C31 H63 N6 O9 S, mfg=97.05, overall=97.05 ] (696.4441, 20436.861)(697.44763, 7872.1533)(698.4492, 2979.943)(699.44867, 486.18002)(678.4344, 1241.63)(718.4264, 9631.4)(719.4308, 3225.6)(720.4383, 1390.47) 27 695.4368 C31 H63 N6 O9 S + C24 H55 N9 O S3 6.843366 [ C24 H55 N9 O S3, mfg=86.66, overall=86.66 ] (582.3756, 16045.517)(583.37933, 5305.256)(584.3789, 3610.9934)(564.35944, 2051.1)(565.3528, 1132.75)(604.35754, 3336.835)(605.3612, 1077.31)(606.3723, 1449.27) 26 581.3683 C24 H55 N9 O S3 + 565.3031@6.835755 6.835755 (566.31116, 4906.1567)(567.3136, 2642.705) 3 565.3031 565.3031@6.835755 + 711.4321@6.8721137 6.8721137 (712.4454, 3192.7136)(713.4488, 1672.38)(694.4286, 21376.28)(695.4322, 6775.04) 3 711.4321 711.4321@6.8721137 + 764.4746@6.8458242 6.8458242 (765.4813, 7934.707) 4 764.4746 764.4746@6.8458242 + 602.292@6.857859 6.857859 (603.2992, 2629.665)(604.30133, 1392.8491) 15 602.292 602.292@6.857859 + 645.3245@6.8604274 6.8604274 (646.3325, 3826.0667)(647.3344, 1518.63)(648.332, 751.69) 3 645.3245 645.3245@6.8604274 + 628.3164@6.8511357 6.8511357 (629.3237, 1215.59) 1 628.3164 628.3164@6.8511357 + C31 H67 N5 O7 S3 6.8693266 [ C31 H67 N5 O7 S3, mfg=89.29, overall=89.29 ] (718.42664, 10685.999)(719.43115, 3837.5005)(720.4325, 1896.6411)(721.4246, 846.81)(700.4221, 821.19)(740.4049, 4015.17)(741.4116, 1748.1)(742.4229, 1508.17) 21 717.4191 C31 H67 N5 O7 S3 + 677.3872@6.9246116 6.9246116 (678.39966, 3408.1929)(679.4019, 1383.7631) 10 677.3872 677.3872@6.9246116 + 675.3723@6.8840213 6.8840213 (676.3801, 16924.06)(677.3854, 6305.7876)(678.3949, 5201.0366)(679.4021, 3246.37) 11 675.3723 675.3723@6.8840213 + 614.3285@6.8575654 6.8575654 (615.3357, 3608.9854)(616.3393, 1349.4788)(617.3373, 995.41504) 9 614.3285 614.3285@6.8575654 + 719.4368@6.80683 6.80683 (720.4417, 3316.9465)(721.43976, 1187.4166)(722.4265, 2443.9102) 3 719.4368 719.4368@6.80683 + 240.1958@6.8886914 6.8886914 (481.3973, 908.93)(241.20363, 3361.1587) 7 240.1958 240.1958@6.8886914 + 605.2972@6.8798714 6.8798714 (606.3104, 9489.19)(607.314, 3513.3936)(608.319, 8494.41)(609.32324, 3427.27)(610.3339, 8246.0)(611.3378, 2967.45)(612.3505, 1078.45)(628.2889, 1132.94) 9 605.2972 605.2972@6.8798714 + 147.0895@6.890117 6.890117 (148.09665, 25011.176)(149.10098, 2299.1323)(170.0792, 5347.3755)(171.07918, 1078.4401) 13 147.0895 147.0895@6.890117 + 676.3777@6.8881545 6.8881545 (677.385, 3196.49) 1 676.3777 676.3777@6.8881545 + 701.3891@6.898135 6.898135 (702.3971, 4922.8735)(703.40155, 2125.852)(704.411, 21375.531)(705.4159, 4008.42) 16 701.3891 701.3891@6.898135 + 721.4171@6.906506 6.906506 (722.4251, 3094.1768)(723.4284, 1394.3799)(724.4376, 5198.67)(725.4406, 3106.31)(726.4597, 5042.99)(727.4609, 1805.74)(744.3997, 1665.04) 3 721.4171 721.4171@6.906506 + 557.3093@6.9230447 6.9230447 (558.3174, 8410.908)(559.32086, 3009.2043)(560.3308, 16574.6)(561.3357, 3825.56)(580.30237, 3961.4766)(581.3071, 2183.4766)(582.316, 10882.59)(583.3194, 3861.89)(584.3316, 11927.07)(585.3363, 3783.83)(586.3445, 2473.61) 20 557.3093 557.3093@6.9230447 + 190.0741@6.93435 6.93435 (191.08144, 11286.531)(192.08765, 2333.2622) 9 190.0741 190.0741@6.93435 + C40 H67 O7 S2 7.0261173 [ C40 H67 O7 S2, mfg=97.18, overall=97.18 ] (724.4393, 9956.535)(725.443, 4179.286)(726.44293, 2055.2612)(727.4428, 666.5825)(746.4263, 1945.7684)(747.43427, 987.304)(748.43933, 939.6) 30 723.432 C40 H67 O7 S2 + 599.3205@7.084427 7.084427 (600.32684, 4314.127)(601.3302, 1616.7208)(602.3393, 1053.825)(622.3098, 5634.1836)(623.3127, 2111.5134)(624.3181, 1622.43) 13 599.3205 599.3205@7.084427 + 232.2079@7.0482483 7.0482483 (233.2152, 1512.28) 1 232.2079 232.2079@7.0482483 + C15 H29 N8 O4 7.0740943 [ C15 H29 N8 O4, mfg=84.21, overall=84.21 ] (386.23862, 5999.742)(387.24173, 1027.26) 24 385.2315 C15 H29 N8 O4 + 385.7331@7.0727673 7.0727673 (386.74005, 2761.0754) 11 385.7331 385.7331@7.0727673 + 149.1049@7.0972795 7.0972795 (150.1125, 3054.97)(151.1198, 1172.64)(132.1015, 22789.02) 1 149.1049 149.1049@7.0972795 + Dihydroartemisinin 7.1035924 Dihydroartemisinin [ C15 H24 O5, mfg=47.53, db=81.28, overall=64.41, CAS ID=71939-50-9, METLIN ID=1119 ] 71939-50-9 (302.19604, 5617.756)(303.1991, 1195.7546) 18 301.1887 Dihydroartemisinin + 765.4425@7.066865 7.066865 (766.45013, 2064.2224)(767.4524, 1572.475)(768.45654, 996.075) 4 765.4425 765.4425@7.066865 + 747.4683@7.124746 7.124746 (748.47406, 8013.057)(749.4772, 3791.3928)(750.4764, 1950.3401)(751.4751, 613.43005)(770.45416, 2449.8767)(771.4586, 816.22) 13 747.4683 747.4683@7.124746 + C36 H59 N10 O S2 7.1279364 [ C36 H59 N10 O S2, mfg=91.08, overall=45.54 ] (712.4381, 4559.958)(713.44226, 1993.0585)(714.43665, 985.15)(694.42755, 1091.4067)(734.4212, 1319.0) 16 711.4307 C36 H59 N10 O S2 + 519.2954@7.145622 7.145622 (520.30414, 4429.343)(521.3202, 1431.64)(522.3189, 2358.13)(542.2866, 4548.477)(543.2887, 1690.48)(544.3011, 1398.19) 11 519.2954 519.2954@7.145622 + 667.3697@7.1339784 7.1339784 (668.3779, 2822.2405)(669.38275, 1501.513)(690.3577, 1313.55) 11 667.3697 667.3697@7.1339784 + 571.2882@7.1630397 7.1630397 (572.29614, 5977.4033)(573.2996, 2142.0264)(589.3195, 920.37)(594.2822, 871.63) 13 571.2882 571.2882@7.1630397 + C32 H52 Cl N O3 S2 7.156942 [ C32 H52 Cl N O3 S2, mfg=82.05, overall=82.05 ] (598.31104, 6256.822)(599.31476, 2186.827)(600.3255, 3058.7737)(601.32776, 1025.3424)(620.29095, 796.00507) 24 597.3037 C32 H52 Cl N O3 S2 + C30 H51 N3 O4 S3 7.1233277 [ C30 H51 N3 O4 S3, mfg=80.68, overall=80.68 ] (614.3086, 5617.7256)(615.31213, 1896.3171)(616.32263, 1361.82)(617.3339, 0.0)(596.3059, 1997.9)(597.3063, 1127.59)(636.29224, 2534.52)(637.2982, 1194.32)(638.3043, 2576.05)(639.3069, 686.995) 7 613.3057 C30 H51 N3 O4 S3 + 1,2-Diacetylhydrazine 7.153519 C16622 1,2-Diacetylhydrazine [ C4 H8 N2 O2, mfg=80.90, db=80.90, overall=80.90, CAS ID=3148-73-0, KEGG ID=C16622, METLIN ID=851 ] 3148-73-0 (117.06587, 9263.111)(118.06809, 901.6415)(99.0554, 1442.65)(139.04886, 2261.1826) 27 116.0586 1,2-Diacetylhydrazine + 645.29@7.1468887 7.1468887 (646.29645, 3639.7886)(647.2996, 1693.1715)(648.3096, 1308.0759)(628.2866, 2165.945)(629.2901, 1010.1)(668.2815, 1070.6001) 7 645.29 645.29@7.1468887 + C30 H43 N3 O10 7.168976 [ C30 H43 N3 O10, mfg=89.02, overall=89.02 ] (606.30133, 10653.422)(607.30475, 3593.6506)(608.3181, 1062.34)(588.29504, 7260.1064)(589.2982, 2331.1875)(590.3061, 11523.5)(591.3097, 3587.27)(592.3229, 4275.73)(628.28705, 2372.8516)(629.2901, 785.4467) 15 605.2953 C30 H43 N3 O10 + 271.9709@7.1563206 7.1563206 (272.9782, 1362.12) 1 271.9709 271.9709@7.1563206 + C25 H51 N3 O11 S 7.173487 [ C25 H51 N3 O11 S, mfg=95.98, overall=95.98 ] (602.33167, 13579.299)(603.33545, 4332.3325)(604.33527, 1674.8477)(624.31305, 11670.912)(625.31604, 3439.27)(626.3221, 1453.0801)(627.3241, 580.22) 20 601.3232 C25 H51 N3 O11 S + C39 H65 N3 O5 S2 7.1710896 [ C39 H65 N3 O5 S2, mfg=97.71, overall=97.71 ] (720.44415, 13555.066)(721.44727, 6089.0195)(722.44727, 2370.4731)(723.45, 824.795)(742.426, 3738.2869)(743.4296, 2185.351)(744.4407, 1360.5077)(745.4463, 771.19) 22 719.4366 C39 H65 N3 O5 S2 + C37 H63 O7 S2 7.1936636 [ C37 H63 O7 S2, mfg=88.84, overall=88.84 ] (684.4083, 6296.325)(685.4121, 2407.9478)(686.4153, 1124.8171)(666.3971, 2419.3035)(667.40186, 630.415)(668.4048, 222.3) 18 683.4005 C37 H63 O7 S2 + C31 H63 N3 O6 S3 7.1958737 [ C31 H63 N3 O6 S3, mfg=80.47, overall=80.47 ] (670.3919, 4662.139)(671.3965, 1868.9725)(672.40924, 1141.7743)(652.38434, 1485.9475)(653.3984, 958.18)(692.378, 1065.61) 18 669.3856 C31 H63 N3 O6 S3 + 509.3113@7.21198 7.21198 (510.31882, 3184.4165)(511.32404, 1198.6355)(532.3009, 1515.255)(533.3051, 819.37) 14 509.3113 509.3113@7.21198 + 448.9519@7.27706 7.27706 (449.9589, 1755.3617) 6 448.9519 448.9519@7.27706 + 503.2574@7.303552 7.303552 (504.26523, 1983.456)(505.26974, 856.4633) 5 503.2574 503.2574@7.303552 + 624.1608@7.295538 7.295538 (625.16766, 3364.2285)(626.1672, 1042.6718)(627.16455, 1452.7001)(647.14905, 1370.755) 6 624.1608 624.1608@7.295538 + 611.7949@7.2944775 7.2944775 (612.8021, 12167.263)(613.8047, 2183.9824) 4 611.7949 611.7949@7.2944775 + 808.3988@7.295074 7.295074 (809.406, 46841.215)(810.40814, 15542.228)(811.40955, 3862.516)(812.41254, 1101.34) 6 808.3988 808.3988@7.295074 + 232.9948@7.2963133 7.2963133 (234.00201, 3006.0557)(255.98369, 1848.4067) 16 232.9948 232.9948@7.2963133 + 647.3046@7.295402 7.295402 (648.31177, 2781.37)(649.3149, 732.61)(630.3016, 2291.92)(631.3052, 939.69)(670.2954, 2066.0) 2 647.3046 647.3046@7.295402 + 577.3403@7.29938 7.29938 (578.35046, 2524.2852)(579.35675, 993.935)(580.36017, 916.185)(581.3649, 205.69)(600.3254, 938.62)(601.3256, 945.17) 2 577.3403 577.3403@7.29938 + LysoPE(0:0/16:1(9Z)) 7.323031 LysoPE(0:0/16:1(9Z)) [ C21 H42 N O7 P, db=81.37, overall=40.68, HMP ID=HMDB11474, METLIN ID=62262 ] (452.27762, 3922.8508)(453.2818, 940.2513) 30 451.2702 LysoPE(0:0/16:1(9Z)) HMDB11474 + 463.2327@7.4457016 7.4457016 (464.24014, 2486.1821)(465.24377, 899.0799) 15 463.2327 463.2327@7.4457016 + 463.292@7.388951 7.388951 (464.29974, 2861.709) 8 463.292 463.292@7.388951 + 463.9601@7.3845 7.3845 (464.9674, 1357.97) 1 463.9601 463.9601@7.3845 + N-Methylhistamine 7.392769 N-Methylhistamine [ C6 H11 N3, mfg=98.17, db=98.17, overall=98.17, CAS ID=673-50-7, METLIN ID=251 ] 673-50-7 (273.1794, 894.26996)(126.1023, 74867.49)(127.10545, 5675.202)(128.11043, 1158.2543) 33 125.095 N-Methylhistamine + 487.2327@7.3919954 7.3919954 (488.23993, 3963.6963)(489.24286, 1249.9921)(490.2552, 513.75)(510.2227, 865.44) 13 487.2327 487.2327@7.3919954 + 625.3223@7.4409986 7.4409986 (626.32947, 12680.309)(627.33307, 4198.994)(628.3433, 3443.9302)(648.3129, 1651.67)(649.3226, 542.77) 12 625.3223 625.3223@7.4409986 + Chivosazole F + 7.4589205 7.4589205 C15733 Chivosazole F [ C41 H57 N O8, mfg=74.47, db=74.48, overall=74.47, KEGG ID=C15733, METLIN ID=71064 ] (692.41315, 6172.328)(693.4169, 2646.1453)(694.4224, 1466.5391) 17 691.4059 Chivosazole F + 7.4589205 + 581.3314@7.4631925 7.4631925 (582.3389, 2899.5366)(583.34106, 1164.2189)(584.32477, 890.3433) 11 581.3314 581.3314@7.4631925 + 495.7988@7.4871416 7.4871416 (496.80658, 2055.386) 5 495.7988 495.7988@7.4871416 + 708.9402@7.4939036 7.4939036 (709.9467, 1805.6068) 6 708.9402 708.9402@7.4939036 + C36 H55 O11 7.520374 [ C36 H55 O11, mfg=93.47, overall=93.47 ] (664.3816, 10249.242)(665.3855, 3931.4646)(666.38873, 1546.8593)(686.3638, 800.005) 17 663.3743 C36 H55 O11 + 59.0733@7.550035 7.550035 (60.08052, 5061.3154) 25 59.0733 59.0733@7.550035 + Bitolterol 7.5482416 C06853 Bitolterol [ C28 H31 N O5, mfg=65.82, db=65.70, overall=65.76, CAS ID=30392-40-6, KEGG ID=C06853, METLIN ID=66557 ] 30392-40-6 (462.2247, 8193.598)(463.22815, 2478.8457) 25 461.2171 Bitolterol + 517.3099@7.572306 7.572306 (518.3173, 2434.3655)(519.319, 839.4) 7 517.3099 517.3099@7.572306 + Histamine 7.5740147 C00388 Histamine [ C5 H9 N3, mfg=86.59, db=86.59, overall=86.59, CAS ID=51-45-6, KEGG ID=C00388, HMP ID=HMDB00870, METLIN ID=68 ] 51-45-6 (112.086845, 38559.285)(113.089714, 3177.1592) 32 111.0795 Histamine HMDB00870 + 477.2125@7.5888777 7.5888777 (478.2195, 3922.5469)(479.22263, 1376.2001)(480.22766, 974.23)(500.2032, 749.01) 14 477.2125 477.2125@7.5888777 + 730.9519@7.603707 7.603707 (731.9592, 2218.02) 1 730.9519 730.9519@7.603707 + 492.9782@7.613658 7.613658 (493.98566, 1989.38) 4 492.9782 492.9782@7.613658 + C35 H53 O11 7.632055 [ C35 H53 O11, mfg=90.69, overall=90.69 ] (650.36597, 11484.18)(651.3694, 4206.33)(652.3752, 1709.1415)(672.34326, 1189.5099) 23 649.3589 C35 H53 O11 + 465.2121@7.6690054 7.6690054 (466.21924, 5803.592)(467.2231, 1771.0511)(448.2093, 4894.5)(449.2126, 1275.27)(488.20355, 1192.77) 9 465.2121 465.2121@7.6690054 + 379.139@7.6854115 7.6854115 (380.14648, 5597.528)(381.15158, 1895.4373)(382.1537, 725.47) 11 379.139 379.139@7.6854115 + 811.6627@7.7048144 7.7048144 (812.67, 1134.01)(813.6841, 869.13) 1 811.6627 811.6627@7.7048144 + 346.1426@7.700661 7.700661 (347.1498, 5229.0654)(348.15344, 1406.5254)(364.1763, 725.25) 15 346.1426 346.1426@7.700661 + 507.6535@7.7133203 7.7133203 (508.6603, 1761.3201) 7 507.6535 507.6535@7.7133203 + 507.3181@7.7135553 7.7135553 (508.3257, 2413.615)(509.32672, 766.315) 8 507.3181 507.3181@7.7135553 + 243.856@7.7348485 7.7348485 (244.8633, 1240.96) 1 243.856 243.856@7.7348485 + 774.478@7.8206167 7.8206167 (775.48474, 1397.502)(776.4814, 1003.1767) 5 774.478 774.478@7.8206167 + 244.1536@7.879263 7.879263 (245.16034, 4432.8975)(246.166, 1080.5734) 18 244.1536 244.1536@7.879263 + 537.0045@7.924501 7.924501 (538.01245, 1872.2367) 3 537.0045 537.0045@7.924501 + 796.4905@7.924779 7.924779 (797.49854, 1294.585)(798.5017, 779.19) 2 796.4905 796.4905@7.924779 + 536.6688@7.9275084 7.9275084 (537.6763, 2396.3525)(538.6826, 1126.68) 4 536.6688 536.6688@7.9275084 + 438.1845@7.9573307 7.9573307 (439.1915, 4333.467)(440.2021, 2697.4849)(441.2048, 823.3) 3 438.1845 438.1845@7.9573307 + C14 H27 N13 O2 S 7.9595156 [ C14 H27 N13 O2 S, mfg=93.36, overall=93.36 ] (442.21942, 12001.748)(443.22284, 2872.1196)(444.21634, 941.2883)(464.20197, 1533.884) 17 441.2121 C14 H27 N13 O2 S + 657.3118@7.9489655 7.9489655 (658.319, 3853.2566)(659.32294, 1762.4233) 3 657.3118 657.3118@7.9489655 + 819.0058@8.034678 8.034678 (820.01245, 1249.885) 2 819.0058 819.0058@8.034678 + 448.1967@8.129666 8.129666 (449.204, 2141.2666)(450.2038, 732.53) 3 448.1967 448.1967@8.129666 + 566.0199@8.138368 8.138368 (567.0272, 2934.61)(568.0307, 625.51) 1 566.0199 566.0199@8.138368 + 467.1916@8.200571 8.200571 (468.19873, 5127.035)(469.2024, 1663.4951)(470.2089, 752.06)(490.1824, 730.56) 17 467.1916 467.1916@8.200571 + 523.2171@8.307467 8.307467 (524.2248, 3982.9675)(525.2275, 1201.9027)(526.2356, 1042.71) 12 523.2171 523.2171@8.307467 + 595.7078@8.342045 8.342045 (596.71387, 1756.015) 2 595.7078 595.7078@8.342045 + 241.1511@8.502493 8.502493 (242.15793, 2403.8875)(243.1618, 688.79) 4 241.1511 241.1511@8.502493 + 218.0757@8.713344 8.713344 (219.08319, 1826.1884) 6 218.0757 218.0757@8.713344 + 132.1261@8.831663 8.831663 (133.13335, 3588.9065) 3 132.1261 132.1261@8.831663 + 132.1261@8.917961 8.917961 (133.1334, 1715.11) 2 132.1261 132.1261@8.917961 + 184.1324@9.099171 9.099171 (185.1412, 1048.38)(167.1289, 6680.5)(168.1401, 989.12) 1 184.1324 184.1324@9.099171 + 205.179@9.837166 9.837166 (206.1863, 3085.22) 1 205.179 205.179@9.837166 + 245.174@10.002257 10.002257 (246.18108, 3570.6543)(247.18506, 1222.7051) 10 245.174 245.174@10.002257 + 154.9795@0.70279485 0.70279485 (332.9486, 1498.53)(155.9866, 4100.27)(177.9688, 8269.91) 1 154.9795 154.9795@0.70279485 + 63.9701@0.7037944 0.7037944 (64.9774, 3415.04) 1 63.9701 63.9701@0.7037944 + 397.7788@0.75971633 0.75971633 (398.78595, 4304.8125) 4 397.7788 397.7788@0.75971633 + 402.734@0.7538329 0.7538329 (403.74146, 2941.385) 2 402.734 402.734@0.7538329 + 210.1045@0.79375434 0.79375434 (211.1118, 5148.23)(212.1161, 1580.51) 1 210.1045 210.1045@0.79375434 + 325.0985@0.8077478 0.8077478 (326.1058, 1636.7)(327.1202, 768.58) 1 325.0985 325.0985@0.8077478 + 191.9368@0.91269636 0.91269636 (192.944, 1319.05) 1 191.9368 191.9368@0.91269636 + 459.2132@0.9736646 0.9736646 (460.2205, 1338.66) 1 459.2132 459.2132@0.9736646 + 557.0876@0.98166037 0.98166037 (558.0949, 863.24) 1 557.0876 557.0876@0.98166037 + 413.9586@1.0599029 1.0599029 (414.96594, 2096.665) 2 413.9586 413.9586@1.0599029 + 931.7213@1.000608 1.000608 (932.7223, 3310.905)(933.731, 3004.64)(934.7426, 10302.92)(935.7446, 5980.55)(936.7505, 21760.37) 2 931.7213 931.7213@1.000608 + 932.7087@1.0026491 1.0026491 (933.716, 1247.62)(934.7329, 1603.78)(935.7344, 1488.69) 1 932.7087 932.7087@1.0026491 + 1148.3177@1.0080013 1.0080013 (1149.3242, 12676.191)(1150.3229, 7598.48)(1151.3224, 4532.241)(1152.3209, 2088.32)(1153.3201, 1325.335) 9 1148.3177 1148.3177@1.0080013 + 1074.2986@1.0035989 1.0035989 (1075.3058, 24257.816)(1076.3046, 14145.46)(1077.304, 6835.7656)(1078.3024, 2862.6309)(1079.3004, 1384.7235) 15 1074.2986 1074.2986@1.0035989 + 1207.3043@1.0677073 1.0677073 (1208.3168, 1175.62)(1209.3302, 891.62)(1225.3403, 3665.4)(1226.3378, 1871.7) 2 1207.3043 1207.3043@1.0677073 + 1056.273@1.0086458 1.0086458 (1057.2803, 6340.33)(1058.2745, 6154.07)(1059.2744, 4555.99) 1 1056.273 1056.273@1.0086458 + 877.7312@1.0086458 1.0086458 (878.7385, 1334.0) 1 877.7312 877.7312@1.0086458 + 1059.284@1.0177337 1.0177337 (1060.2762, 4058.9775)(1061.2778, 1829.215)(1062.2659, 897.46)(1042.2539, 1502.505)(1043.2593, 1342.7)(1044.2499, 1645.785)(1045.2535, 947.11) 4 1059.284 1059.284@1.0177337 + 698.2477@1.0096452 1.0096452 (699.255, 6284.32) 1 698.2477 698.2477@1.0096452 + 644.4574@1.0505409 1.0505409 (645.4666, 2526.6233) 3 644.4574 644.4574@1.0505409 + 699.2276@1.0147289 1.0147289 (700.2364, 12476.625)(701.2365, 8128.6626)(702.21405, 107929.94) 7 699.2276 699.2276@1.0147289 + 572.4616@1.0162342 1.0162342 (573.4678, 2555.815)(574.47626, 1347.6599) 4 572.4616 572.4616@1.0162342 + 711.5797@1.0954694 1.0954694 (712.5869, 4047.8447)(713.58887, 2222.99) 9 711.5797 711.5797@1.0954694 + 671.4988@1.0391047 1.0391047 (672.503, 2441.94)(673.5065, 2064.46) 2 671.4988 671.4988@1.0391047 + 1297.3683@1.0308596 1.0308596 (1298.3849, 7696.072)(1299.3602, 3647.2764)(1300.3716, 2204.1367)(1301.3569, 1020.62244) 12 1297.3683 1297.3683@1.0308596 + 801.24@1.0148095 1.0148095 (802.24677, 2762.6377)(803.2462, 1513.3425) 9 801.24 801.24@1.0148095 + 1294.356@1.0106803 1.0106803 (1295.3636, 9926.446)(1296.3688, 14426.236)(1297.3611, 9779.256)(1298.3617, 5997.07) 15 1294.356 1294.356@1.0106803 + 765.2071@1.0162646 1.0162646 (766.2125, 3244.6335)(767.211, 1100.8751) 9 765.2071 765.2071@1.0162646 + 532.5253@1.0186404 1.0186404 (533.5326, 1838.38) 1 532.5253 532.5253@1.0186404 + 707.1977@1.0186404 1.0186404 (708.2068, 1235.65)(725.2301, 2136.97) 1 707.1977 707.1977@1.0186404 + 986.2561@1.0246035 1.0246035 (987.26666, 2346.5627)(988.26263, 1049.7172) 7 986.2561 986.2561@1.0246035 + 701.543@1.0196397 1.0196397 (702.5502, 2327.81)(703.5585, 1481.55) 1 701.543 701.543@1.0196397 + 670.5652@1.036159 1.036159 (671.5652, 3303.0298)(672.5733, 2700.365)(673.5769, 1464.38)(693.5451, 2152.45) 4 670.5652 670.5652@1.036159 + C21 H25 N16 O3 S2 1.0254804 [ C21 H25 N16 O3 S2, mfg=92.49, overall=92.49 ] (614.1821, 370671.66)(615.18146, 112631.25)(616.17993, 36956.453)(617.17914, 9320.636)(618.1783, 2194.1252)(619.1795, 376.67) 23 613.1749 C21 H25 N16 O3 S2 + 635.5478@1.0239999 1.0239999 (636.5551, 13745.232)(637.55865, 7036.9185)(638.57, 7502.676)(639.5737, 2916.8665)(640.5691, 1760.415) 7 635.5478 635.5478@1.0239999 + 1368.372@1.0234859 1.0234859 (1369.3807, 3389.0718)(1370.38, 3618.566)(1371.3789, 2859.862)(1372.3787, 2688.8398) 5 1368.372 1368.372@1.0234859 + 634.5202@1.026114 1.026114 (635.5288, 4019.7998)(652.5511, 2962.06)(653.5548, 1702.89)(657.5146, 1442.23) 2 634.5202 634.5202@1.026114 + 632.5008@1.0295383 1.0295383 (633.5103, 5244.2837)(650.5338, 3488.76)(651.534, 1637.5) 3 632.5008 632.5008@1.0295383 + 534.1308@1.0256366 1.0256366 (535.138, 1131.6) 1 534.1308 534.1308@1.0256366 + 340.0104@1.0225446 1.0225446 (341.01752, 1904.8362) 5 340.0104 340.0104@1.0225446 + 639.5736@1.0256366 1.0256366 (640.5818, 4454.67)(641.5831, 2051.92)(662.5601, 1651.74) 1 639.5736 639.5736@1.0256366 + 667.1688@1.0256366 1.0256366 (668.1761, 1422.36) 1 667.1688 667.1688@1.0256366 + 576.5078@1.0266359 1.0266359 (577.5151, 2214.85)(578.5199, 1306.33) 1 576.5078 576.5078@1.0266359 + 663.4965@1.0655885 1.0655885 (664.5055, 2594.7725)(665.512, 1594.08)(666.5129, 3045.83)(667.528, 518.51)(668.5454, 3339.86) 4 663.4965 663.4965@1.0655885 + 625.5264@1.0278568 1.0278568 (626.5324, 2182.0642)(627.53827, 1442.0325)(628.548, 4345.73)(608.51996, 5049.007)(609.52216, 3119.2598)(648.5147, 853.72) 7 625.5264 625.5264@1.0278568 + 606.4854@1.0270867 1.0270867 (607.4914, 4148.17)(608.501, 5667.75)(609.5046, 3325.84)(589.4802, 3061.5151)(624.5161, 2162.8618)(625.5247, 1113.4067)(629.4721, 1521.42) 9 606.4854 606.4854@1.0270867 + 587.4345@1.067013 1.067013 (588.4452, 3851.2883)(589.4523, 4920.69)(590.4423, 4800.55)(570.433, 7439.78)(571.4334, 4009.67)(572.4263, 3989.52)(605.4746, 4021.36) 5 587.4345 587.4345@1.067013 + 653.1196@1.0310014 1.0310014 (654.1316, 1800.825) 2 653.1196 653.1196@1.0310014 + 633.1871@1.0296342 1.0296342 (1284.4097, 3491.04)(634.1923, 1344.22) 1 633.1871 633.1871@1.0296342 + 1285.4019@1.039476 1.039476 (1286.4092, 17948.516)(1287.4065, 1490.224)(1296.3981, 19373.24)(1297.3738, 2640.26)(1298.3959, 7494.35)(1288.4066, 29845.182)(1289.4044, 2432.646)(1290.4048, 39854.58)(1291.4011, 3397.6)(1292.4023, 41024.43)(1293.396, 3671.6174)(1294.4003, 27348.627)(1295.3878, 3751.45) 29 1285.4019 1285.4019@1.039476 + 1292.3903@1.0396544 1.0396544 (1293.3959, 3002.4546) 21 1292.3903 1292.3903@1.0396544 + 639.5078@1.0508391 1.0508391 (640.5171, 5570.6323)(641.51324, 2737.4048)(642.4992, 5950.63)(662.4935, 2619.3)(663.5009, 1707.27) 4 639.5078 639.5078@1.0508391 + 373.0921@1.0423433 1.0423433 (374.09973, 3349.0537)(375.09778, 1158.5878) 11 373.0921 373.0921@1.0423433 + 1048.5573@1.0424358 1.0424358 (1049.5645, 1735.02)(1050.5667, 1157.74) 2 1048.5573 1048.5573@1.0424358 + 735.3711@1.0430586 1.0430586 (736.37573, 1235.46)(737.377, 785.1) 4 735.3711 735.3711@1.0430586 + 974.9558@1.0504409 1.0504409 (975.9629, 6497.992)(976.9642, 1531.6133)(977.9383, 2619.87)(978.944, 1116.91) 6 974.9558 974.9558@1.0504409 + 1294.5863@1.0477858 1.0477858 (1295.5928, 5706.5835)(1296.5887, 4557.7896)(1297.5929, 1782.2433)(1298.6096, 675.31) 3 1294.5863 1294.5863@1.0477858 + 1293.1039@1.0467869 1.0467869 (1294.111, 16901.688)(1295.1136, 3835.4531)(1296.0867, 4333.47)(1297.0884, 1673.52)(1298.1113, 593.07) 3 1293.1039 1293.1039@1.0467869 + 582.5033@1.0516222 1.0516222 (583.5106, 1434.62) 1 582.5033 582.5033@1.0516222 + C38 H75 N O2 S2 1.0406886 [ C38 H75 N O2 S2, mfg=83.56, overall=83.56 ] (642.5305, 9799.4375)(643.53217, 4403.4614)(644.54333, 1718.89)(624.5213, 1503.58)(664.5077, 2918.14) 9 641.522 C38 H75 N O2 S2 + 567.4859@1.051415 1.051415 (568.49176, 5695.9004)(569.4932, 2382.39)(590.4752, 4500.36) 2 567.4859 567.4859@1.051415 + 560.4419@1.0535524 1.0535524 (561.45074, 3436.6826)(562.4444, 2336.33) 4 560.4419 560.4419@1.0535524 + 329.2912@1.0566193 1.0566193 (330.2984, 2022.24) 1 329.2912 329.2912@1.0566193 + 737.5799@1.0576187 1.0576187 (738.5872, 2235.37)(739.5969, 1018.83) 1 737.5799 737.5799@1.0576187 + 569.5008@1.0576187 1.0576187 (570.5063, 5756.16)(592.4903, 10049.44) 1 569.5008 569.5008@1.0576187 + 915.784@1.0622945 1.0622945 (916.79254, 1308.745)(917.7925, 845.875)(918.80457, 1238.9751) 2 915.784 915.784@1.0622945 + 194.1669@1.061208 1.061208 (195.17424, 9583.593)(196.17744, 1488.9457)(177.16354, 3698.585)(178.1666, 1336.04) 7 194.1669 194.1669@1.061208 + 889.7712@1.0628227 1.0628227 (890.7786, 2344.0732)(891.78253, 1318.1566)(892.7946, 1698.094)(893.798, 770.7)(894.8038, 683.01) 6 889.7712 889.7712@1.0628227 + 1009.7597@1.0305915 1.0305915 (1010.7582, 2571.34)(1011.75824, 1492.845)(1012.773, 2049.71) 2 1009.7597 1009.7597@1.0305915 + 702.4701@1.0655951 1.0655951 (703.47595, 2528.3198)(720.5058, 1936.32)(725.4563, 819.72) 2 702.4701 702.4701@1.0655951 + 511.3886@1.0708092 1.0708092 (512.3974, 5744.4116)(513.3944, 2735.8145)(514.4016, 5688.7354)(529.4254, 2980.46) 9 511.3886 511.3886@1.0708092 + 949.7895@1.060617 1.060617 (950.7967, 1158.88)(951.8042, 747.47) 1 949.7895 949.7895@1.060617 + 630.4696@1.060617 1.060617 (631.4768, 4583.44)(632.4939, 2746.47)(633.4846, 5631.83) 1 630.4696 630.4696@1.060617 + 691.4999@1.082614 1.082614 (692.5033, 2230.2852)(693.51843, 1382.4)(694.49817, 2407.79)(695.4856, 2608.99)(714.4911, 2454.71)(715.4978, 1677.14)(716.4936, 2345.25) 4 691.4999 691.4999@1.082614 + 687.5531@1.0668316 1.0668316 (688.5623, 1812.22)(670.5502, 2103.05)(671.5695, 1443.53)(672.5324, 2474.85)(710.5511, 2616.11)(711.555, 1701.99)(712.5635, 2411.61) 2 687.5531 687.5531@1.0668316 + C30 H57 N O6 1.0653478 [ C30 H57 N O6, mfg=47.44, overall=47.44 ] (528.42334, 7124.0063)(529.4239, 3651.1694)(530.4301, 5782.904)(510.4156, 5514.66)(550.40393, 3818.42)(551.4029, 2326.84)(552.386, 3413.64) 12 527.4164 C30 H57 N O6 + 472.3163@1.0611454 1.0611454 (473.32288, 6053.045)(474.3253, 4438.39) 6 472.3163 472.3163@1.0611454 + 870.7502@1.0680337 1.0680337 (871.75336, 3728.6023) 4 870.7502 870.7502@1.0680337 + 513.4008@1.0635539 1.0635539 (514.4061, 7106.293)(515.41003, 4498.05)(536.3864, 3990.2) 4 513.4008 513.4008@1.0635539 + 730.5127@1.0636153 1.0636153 (731.52, 2685.31) 1 730.5127 730.5127@1.0636153 + 749.5221@1.0636153 1.0636153 (750.5293, 1675.65)(751.5427, 1422.11) 1 749.5221 749.5221@1.0636153 + 727.5777@1.0415838 1.0415838 (728.58105, 4866.335)(729.5902, 2791.38)(730.5958, 8291.72)(731.6011, 4302.07)(732.6145, 4485.4897) 2 727.5777 727.5777@1.0415838 + 469.3809@1.0707035 1.0707035 (470.3843, 8730.127)(471.3856, 3517.33)(472.3986, 6314.95)(473.4007, 2562.85) 7 469.3809 469.3809@1.0707035 + 467.363@1.0646148 1.0646148 (468.3702, 25792.49)(469.3694, 10476.58) 1 467.363 467.363@1.0646148 + C35 H70 Cl N2 S 1.0607388 [ C35 H70 Cl N2 S, mfg=78.23, overall=78.23 ] (586.50214, 5679.5283)(587.50555, 2548.178)(588.5007, 2796.3237)(603.53217, 1308.6)(604.5439, 1288.45)(608.48737, 4128.936)(609.4992, 2076.5) 28 585.4963 C35 H70 Cl N2 S + 441.345@1.0666888 1.0666888 (442.35287, 8527.238)(443.35117, 6504.728)(444.3637, 5929.69)(459.38318, 4398.04) 8 441.345 441.345@1.0666888 + 395.4121@1.0656142 1.0656142 (396.4194, 1057.52) 1 395.4121 395.4121@1.0656142 + 839.6185@1.0656142 1.0656142 (840.6258, 1478.03)(841.647, 1108.45) 1 839.6185 839.6185@1.0656142 + 650.4876@1.1157408 1.1157408 (651.50586, 2106.9475)(652.5095, 1432.09)(653.5277, 1425.05) 4 650.4876 650.4876@1.1157408 + 705.5098@1.0705717 1.0705717 (706.5176, 2070.356)(707.5143, 1354.602)(708.5216, 1845.8381)(728.4973, 3457.635)(729.4955, 1735.11)(730.5053, 4200.19)(731.5073, 2866.55)(732.5124, 2184.2) 5 705.5098 705.5098@1.0705717 + 951.731@1.0666137 1.0666137 (952.7388, 1380.26)(974.7189, 737.03) 1 951.731 951.731@1.0666137 + 791.6975@1.0724409 1.0724409 (792.7066, 2586.0461)(793.70856, 1497.9305)(794.72174, 5023.527)(795.725, 2855.397)(796.735, 2437.0356)(797.7319, 684.47)(809.7405, 906.94)(814.6866, 1027.0825) 15 791.6975 791.6975@1.0724409 + 390.3495@1.0666137 1.0666137 (391.3567, 3277.79) 1 390.3495 390.3495@1.0666137 + 417.3738@1.101377 1.101377 (418.38626, 4718.79)(419.3904, 2676.92)(440.362, 5975.1) 2 417.3738 417.3738@1.101377 + 566.4543@1.0809832 1.0809832 (567.4562, 5345.2075)(549.4528, 5691.31)(550.4539, 3177.77)(551.4673, 5398.45)(584.4826, 5408.43)(585.4854, 2619.79) 4 566.4543 566.4543@1.0809832 + 699.5216@1.0740944 1.0740944 (700.5315, 4795.385)(701.53174, 2729.3528)(702.5435, 5353.277)(703.5573, 2120.78)(704.5614, 3098.91)(722.5111, 4212.25)(723.5113, 2022.15) 4 699.5216 699.5216@1.0740944 + 562.258@1.0713141 1.0713141 (563.2671, 1693.0859)(580.291, 3447.1643)(581.2938, 1671.0886)(582.2971, 1027.725)(585.2474, 874.13666) 7 562.258 562.258@1.0713141 + 851.6141@1.0686126 1.0686126 (852.6214, 1740.28) 1 851.6141 851.6141@1.0686126 + 651.4949@1.0858552 1.0858552 (652.49854, 2686.08)(653.5147, 3019.03)(674.4846, 6990.57)(675.4887, 3874.61) 2 651.4949 651.4949@1.0858552 + 732.6139@1.0686126 1.0686126 (733.6212, 3062.23)(734.6216, 1644.99) 1 732.6139 732.6139@1.0686126 + 895.7618@1.0698802 1.0698802 (896.76825, 5759.248)(897.7717, 3911.1882)(898.7832, 6828.068)(899.7852, 1802.365)(900.7957, 1378.69) 12 895.7618 895.7618@1.0698802 + 438.3342@1.0749184 1.0749184 (439.34143, 4412.2324)(440.33856, 2977.24)(441.3287, 4664.48)(456.3676, 3074.92)(461.3245, 4592.57) 4 438.3342 438.3342@1.0749184 + 797.594@1.0688914 1.0688914 (798.60645, 1894.88)(799.6136, 1177.142)(800.59045, 2302.265)(815.6237, 1339.28)(816.6352, 990.36)(817.6403, 949.06) 6 797.594 797.594@1.0688914 + 477.3625@1.1226796 1.1226796 (478.36954, 5120.152)(479.372, 1588.135) 5 477.3625 477.3625@1.1226796 + 488.3144@1.0704908 1.0704908 (489.32318, 10626.755)(490.33057, 4923.033)(491.33395, 9174.91)(506.3498, 3971.72)(511.307, 1449.41) 10 488.3144 488.3144@1.0704908 + 495.3546@1.0743884 1.0743884 (496.35938, 4136.96)(497.36127, 3053.73)(478.3566, 2460.44) 6 495.3546 495.3546@1.0743884 + 720.485@1.0756407 1.0756407 (721.4925, 1624.3201)(738.5187, 3237.36)(739.5202, 1860.51)(740.5332, 2743.22) 2 720.485 720.485@1.0756407 + 719.5515@1.0706114 1.0706114 (720.5561, 1905.28)(721.5688, 1189.9)(742.5415, 2997.17) 1 719.5515 719.5515@1.0706114 + 559.4063@1.1122413 1.1122413 (560.4132, 9710.544)(561.41296, 4411.6084)(562.41425, 4590.9)(563.4091, 2529.33)(564.4247, 3816.84)(565.4286, 1978.44)(542.401, 6011.7)(543.4055, 3429.49)(582.3959, 4033.7202)(583.3841, 2373.46) 5 559.4063 559.4063@1.1122413 + 434.3398@1.0768487 1.0768487 (435.34882, 4413.522)(436.35278, 3634.365)(437.3595, 3410.09)(417.3365, 21387.215)(452.37756, 1942.48)(457.33295, 2914.175) 14 434.3398 434.3398@1.0768487 + 424.3557@1.0756688 1.0756688 (425.3666, 2808.7869)(426.3651, 1680.0399)(427.35556, 14096.509)(428.3702, 0.0)(407.35193, 3913.9248)(408.3579, 1602.64)(447.3487, 7580.58) 6 424.3557 424.3557@1.0756688 + 599.4692@1.0706114 1.0706114 (600.476, 5630.15)(601.4818, 2994.65)(622.4588, 4827.56)(623.4732, 3869.36) 1 599.4692 599.4692@1.0706114 + 745.5126@1.0704101 1.0704101 (746.50635, 2016.2773)(747.51013, 1410.6399)(748.51, 1690.858)(768.4896, 1707.425)(769.4927, 1396.0) 8 745.5126 745.5126@1.0704101 + 867.6188@1.0716108 1.0716108 (868.626, 2271.58)(869.6085, 1589.06)(870.6275, 2461.27)(871.6273, 1609.92)(872.6326, 1877.82) 1 867.6188 867.6188@1.0716108 + 879.6266@1.0716108 1.0716108 (880.6339, 933.03) 1 879.6266 879.6266@1.0716108 + 695.4951@1.0683206 1.0683206 (696.5012, 3129.4573)(697.5007, 1881.5055)(698.50415, 9457.02)(678.4868, 2390.9)(718.4843, 1461.91) 11 695.4951 695.4951@1.0683206 + 547.3703@1.0736634 1.0736634 (548.3757, 7175.547) 3 547.3703 547.3703@1.0736634 + 521.3574@1.0715045 1.0715045 (522.3701, 6573.53)(523.3698, 4200.95) 3 521.3574 521.3574@1.0715045 + 366.2372@1.0726103 1.0726103 (367.2447, 3983.83)(384.2709, 3160.05) 1 366.2372 366.2372@1.0726103 + 140.0837@1.0726103 1.0726103 (281.1735, 1873.57)(282.1738, 818.01)(141.091, 15520.59)(142.0924, 2426.82)(143.0817, 1545.55) 1 140.0837 140.0837@1.0726103 + 726.536@1.0734137 1.0734137 (727.5491, 2332.855)(744.5662, 3130.7)(745.569, 2036.01)(749.5282, 1815.57) 2 726.536 726.536@1.0734137 + 584.2417@1.0726103 1.0726103 (585.249, 1110.84)(586.2585, 654.8) 1 584.2417 584.2417@1.0726103 + Xeniasterol-a 1.0918106 Xeniasterol-a [ C30 H52 O5, db=49.77, overall=24.89, Lipid ID=LMST01031064, METLIN ID=84014 ] (493.38596, 4744.323)(494.39325, 2690.254)(510.4113, 3376.8367) 16 492.3783 Xeniasterol-a + LMST01031064 941.6431@1.0726103 1.0726103 (942.6504, 950.59)(943.6462, 646.55)(944.6466, 706.82) 1 941.6431 941.6431@1.0726103 + 391.2351@1.0773104 1.0773104 (392.24283, 5093.11)(393.2426, 2286.8)(374.2287, 1560.03)(414.22833, 8565.295) 5 391.2351 391.2351@1.0773104 + 450.3666@1.0745605 1.0745605 (901.7216, 889.63)(902.7243, 700.06)(918.7634, 720.31)(919.7571, 674.2)(920.769, 6260.73)(451.37436, 3165.274)(452.38095, 1671.7035)(453.37305, 4418.5503)(433.3647, 2938.24)(473.3559, 2941.8599) 10 450.3666 450.3666@1.0745605 + 578.3959@1.0736097 1.0736097 (579.4032, 3424.73) 1 578.3959 578.3959@1.0736097 + 262.2294@1.0736097 1.0736097 (263.2367, 8620.37)(264.2406, 1853.65) 1 262.2294 262.2294@1.0736097 + 957.651@1.0739682 1.0739682 (958.6511, 884.94)(959.6758, 691.92) 2 957.651 957.651@1.0739682 + 475.3514@1.0736097 1.0736097 (476.3581, 25042.66)(477.3569, 18510.72)(458.3473, 16824.68)(459.3467, 10575.63)(498.342, 17529.67)(499.3411, 8028.52) 1 475.3514 475.3514@1.0736097 + 254.224@1.073316 1.073316 (509.45453, 1621.0881)(255.23035, 2601.3552)(256.23175, 956.77997)(257.2208, 1554.376)(272.2575, 779.77) 12 254.224 254.224@1.073316 + 431.3963@1.0871121 1.0871121 (432.40253, 4980.916)(433.40622, 2023.175)(454.3845, 4167.25) 5 431.3963 431.3963@1.0871121 + 332.2303@1.0746092 1.0746092 (333.2376, 4229.63) 1 332.2303 332.2303@1.0746092 + 140.1196@1.0759376 1.0759376 (298.2723, 4785.395)(141.12709, 2028.3867)(163.1113, 4766.39) 3 140.1196 140.1196@1.0759376 + 378.3136@1.0676507 1.0676507 (379.32056, 3278.2)(380.33145, 966.6825)(381.3293, 2916.58)(396.34668, 1445.52)(401.30347, 2524.445) 8 378.3136 378.3136@1.0676507 + 785.5772@1.0648986 1.0648986 (786.588, 5371.4546)(787.59406, 2997.244)(788.5981, 2170.4067)(789.6034, 2674.64)(808.5647, 674.96) 10 785.5772 785.5772@1.0648986 + 811.5821@1.0746092 1.0746092 (812.5894, 6559.7)(813.5912, 3479.35)(814.6037, 4725.61)(815.6113, 2707.49)(816.6151, 2920.77) 1 811.5821 811.5821@1.0746092 + 351.349@1.0746092 1.0746092 (352.3563, 1028.44) 1 351.349 351.349@1.0746092 + 252.2077@1.0787479 1.0787479 (505.4212, 2754.22)(253.21564, 7209.0728)(254.21858, 1650.3867) 3 252.2077 252.2077@1.0787479 + 791.5469@1.0746092 1.0746092 (792.5542, 1678.35)(793.5592, 1282.18)(794.5694, 2084.01)(795.5742, 1415.7)(796.5915, 3957.98) 1 791.5469 791.5469@1.0746092 + 602.3782@1.0746092 1.0746092 (603.3858, 3040.85)(585.3746, 3291.04) 1 602.3782 602.3782@1.0746092 + C16 H31 N4 O2 1.0784817 [ C16 H31 N4 O2, mfg=47.61, overall=47.61 ] (312.25247, 17028.432)(313.264, 9432.323)(334.23398, 2451.901) 12 311.2455 C16 H31 N4 O2 + 224.141@1.1039581 1.1039581 (449.28845, 4592.855)(450.2863, 3157.4)(466.3146, 3608.16)(471.2704, 1471.02)(225.14845, 7500.26)(226.15065, 1703.7543)(207.1374, 5758.92)(208.1384, 1553.87)(242.1769, 2612.15)(247.131, 6929.675) 8 224.141 224.141@1.1039581 + 139.1352@1.0756085 1.0756085 (140.1425, 2150.03) 1 139.1352 139.1352@1.0756085 + C49 H71 N2 O 1.086886 [ C49 H71 N2 O, mfg=60.02, overall=60.02 ] (704.5636, 3280.927)(705.5704, 1767.3613)(726.55, 2182.62) 15 703.5589 C49 H71 N2 O + 194.1292@1.0767175 1.0767175 (195.1364, 17229.508)(196.13855, 2666.1384)(177.12715, 4172.3447)(212.1626, 1583.53)(217.1176, 2711.875)(218.1181, 1005.28) 6 194.1292 194.1292@1.0767175 + 212.1412@1.0756085 1.0756085 (442.3156, 8510.65)(213.1485, 3427.83)(214.1453, 2024.62)(230.1778, 1213.75) 1 212.1412 212.1412@1.0756085 + 148.0528@1.0737641 1.0737641 (149.0603, 7677.0195)(150.06055, 1522.1699) 3 148.0528 148.0528@1.0737641 + 569.388@1.0756085 1.0756085 (570.3953, 8653.27)(571.3967, 4300.81)(572.3899, 10906.97) 1 569.388 569.388@1.0756085 + 562.3489@1.0765886 1.0765886 (563.3563, 5648.285)(545.3434, 2634.75) 2 562.3489 562.3489@1.0765886 + 410.3044@1.0755835 1.0755835 (411.31195, 4134.415)(412.3016, 1776.58)(428.3391, 8326.46)(429.3356, 4874.83)(433.2904, 4502.31) 2 410.3044 410.3044@1.0755835 + 168.115@1.0969017 1.0969017 (337.23605, 5380.6797)(338.23236, 2326.455)(354.26657, 4250.5664)(169.12201, 6757.314)(170.12355, 1269.895) 8 168.115 168.115@1.0969017 + 529.3613@1.1288239 1.1288239 (530.36774, 4559.7485)(531.36774, 2510.7886)(512.3579, 4481.4766)(513.356, 2429.095)(552.34863, 1400.7999) 12 529.3613 529.3613@1.1288239 + 334.2466@1.0756085 1.0756085 (335.2539, 6969.97) 1 334.2466 334.2466@1.0756085 + 480.3419@1.0766081 1.0766081 (481.3454, 3345.05)(498.3763, 15073.71)(499.3791, 6622.64) 1 480.3419 480.3419@1.0766081 + 541.3608@1.0716983 1.0716983 (542.3674, 6158.66)(543.36615, 3121.6433) 3 541.3608 541.3608@1.0716983 + 597.4283@1.0741712 1.0741712 (598.4377, 6063.473)(599.44147, 3556.245)(600.4353, 7484.34)(620.4155, 2790.43) 6 597.4283 597.4283@1.0741712 + 406.3054@1.0809083 1.0809083 (830.6431, 886.67)(407.31168, 3327.4448)(408.3158, 1676.39)(424.3391, 2216.89)(429.2971, 3412.43) 4 406.3054 406.3054@1.0809083 + 331.272@1.08463 1.08463 (685.5219, 1010.98)(332.28046, 7135.117)(333.2897, 3960.835)(334.2887, 1684.63)(354.2625, 2687.84) 4 331.272 331.272@1.08463 + 262.1921@1.1012249 1.1012249 (263.19977, 2360.9202)(264.2013, 937.335)(245.1903, 1267.82)(285.18225, 1920.125)(286.1772, 1049.45) 7 262.1921 262.1921@1.1012249 + 366.2737@1.0793065 1.0793065 (367.2821, 4147.1367) 3 366.2737 366.2737@1.0793065 + 313.2609@1.0761917 1.0761917 (314.2683, 6034.455)(336.25012, 4015.075) 2 313.2609 313.2609@1.0761917 + 136.125@1.0776074 1.0776074 (137.1322, 3840.87)(138.1345, 952.14) 1 136.125 136.125@1.0776074 + 408.284@1.0926026 1.0926026 (817.5901, 752.81)(834.5993, 1401.67)(409.29385, 3374.617)(426.3175, 5314.8)(431.2743, 3347.29) 3 408.284 408.284@1.0926026 + 465.3381@1.0774045 1.0774045 (466.34088, 5693.25)(448.3371, 5394.33) 5 465.3381 465.3381@1.0774045 + 304.2399@1.0813516 1.0813516 (305.24646, 8031.47)(306.2491, 2983.1526)(322.2752, 2212.17) 6 304.2399 304.2399@1.0813516 + 507.3424@1.0779756 1.0779756 (508.35184, 9053.02)(509.3562, 5616.5557)(510.35062, 3958.32) 8 507.3424 507.3424@1.0779756 + 805.5421@1.0776074 1.0776074 (806.5501, 1351.58)(807.5509, 1057.58)(823.5742, 931.86) 1 805.5421 805.5421@1.0776074 + 825.5721@1.0776074 1.0776074 (826.5794, 2468.84)(827.586, 1485.29)(828.586, 4860.93)(829.5922, 2681.7)(830.599, 7776.7) 1 825.5721 825.5721@1.0776074 + C37 H55 N O2 1.0772028 [ C37 H55 N O2, mfg=68.71, overall=68.71 ] (546.4308, 9025.12)(547.43427, 5229.07)(548.44073, 3080.8933)(563.4594, 1661.43) 14 545.4256 C37 H55 N O2 + 288.1724@1.0847929 1.0847929 (289.1793, 5477.9897)(290.1842, 1839.9834)(271.1656, 2410.8) 5 288.1724 288.1724@1.0847929 + 306.2183@1.1011059 1.1011059 (307.22522, 3841.04)(308.2278, 1693.7) 2 306.2183 306.2183@1.1011059 + 170.0947@1.0786068 1.0786068 (171.102, 9771.76)(172.1052, 1064.64) 1 170.0947 170.0947@1.0786068 + 533.357@1.0813832 1.0813832 (534.3652, 20894.965)(535.36475, 7985.7124)(536.3766, 6451.63)(556.345, 1700.12) 4 533.357 533.357@1.0813832 + 538.3152@1.0796063 1.0796063 (539.3224, 5877.81) 1 538.3152 538.3152@1.0796063 + 611.4072@1.0861797 1.0861797 (612.40967, 5173.56)(613.4194, 2347.15)(629.4398, 7507.3) 2 611.4072 611.4072@1.0861797 + 415.2959@1.0806056 1.0806056 (831.6013, 3363.96)(832.6131, 2676.32)(833.5944, 1674.12)(416.3006, 8073.09)(433.3316, 7859.63)(434.3347, 3995.97) 1 415.2959 415.2959@1.0806056 + 522.3168@1.0796819 1.0796819 (523.32446, 6630.2754)(505.31366, 4181.075) 2 522.3168 522.3168@1.0796819 + 834.5701@1.0806056 1.0806056 (835.5774, 1055.96)(836.57, 1069.05)(837.5846, 1056.49) 1 834.5701 834.5701@1.0806056 + 532.3373@1.0806056 1.0806056 (533.3479, 5130.32)(550.3697, 7707.71)(551.3869, 3663.65)(552.3785, 4557.99) 1 532.3373 532.3373@1.0806056 + 382.3231@1.076217 1.076217 (383.33023, 18399.621)(384.33453, 7008.4307)(365.3186, 2800.9563)(366.3135, 1142.35) 21 382.3231 382.3231@1.076217 + 901.6152@1.0774114 1.0774114 (902.6284, 1538.7449)(903.6245, 1145.61)(884.62335, 1331.735)(885.6151, 1127.255)(886.6299, 1489.0199) 2 901.6152 901.6152@1.0774114 + 609.4945@1.0824629 1.0824629 (610.5006, 6717.6094)(611.5024, 3290.9321)(612.51526, 4420.2)(613.5148, 2084.89)(592.4831, 5031.55)(632.4829, 1787.24) 10 609.4945 609.4945@1.0824629 + 234.1977@1.1350646 1.1350646 (235.20518, 4124.215)(257.1875, 3177.17) 6 234.1977 234.1977@1.1350646 + 623.4755@1.0864141 1.0864141 (624.4818, 23028.195)(625.48376, 10688.385)(626.4944, 14871.9)(606.4757, 9208.0)(607.4707, 6320.22)(608.4834, 8097.43) 2 623.4755 623.4755@1.0864141 + C40 H60 S 1.0865486 [ C40 H60 S, mfg=47.62, overall=47.62 ] (573.44824, 4875.207)(574.4572, 4653.25)(555.4376, 3253.605)(590.4717, 2926.13)(595.4308, 2368.73) 10 572.4413 C40 H60 S + 801.5704@1.0747085 1.0747085 (802.5775, 1411.845)(803.56744, 1048.0701)(804.5859, 2299.01)(805.5946, 1331.81)(806.5957, 1147.54) 2 801.5704 801.5704@1.0747085 + 340.203@1.083338 1.083338 (341.20898, 9274.159)(342.21817, 3465.0166) 8 340.203 340.203@1.083338 + 407.1601@1.0826045 1.0826045 (408.1674, 2546.57) 1 407.1601 407.1601@1.0826045 + 418.2356@1.0876017 1.0876017 (419.2437, 11556.795)(420.24966, 4218.4893)(421.2495, 2928.0627)(401.22855, 2192.865)(436.27356, 1998.28)(441.22488, 2656.303) 19 418.2356 418.2356@1.0876017 + 357.2517@1.0821886 1.0821886 (732.5313, 1641.07)(358.2569, 10435.755)(359.2589, 6309.42) 2 357.2517 357.2517@1.0821886 + 110.073@1.1399721 1.1399721 (221.1536, 8181.5977)(222.15489, 2034.7875)(243.1348, 1724.81)(111.08024, 5368.231)(112.076996, 1001.31)(93.069725, 18809.26)(94.07169, 1712.6718) 12 110.073 110.073@1.1399721 + 362.207@1.0776023 1.0776023 (742.4518, 789.09)(363.21448, 4531.68)(364.2184, 1994.89) 2 362.207 362.207@1.0776023 + 609.3857@1.0856029 1.0856029 (610.3915, 3758.82)(627.421, 2949.67) 1 609.3857 609.3857@1.0856029 + 104.0622@1.0876018 1.0876018 (105.0695, 5838.46)(106.0801, 1177.57) 1 104.0622 104.0622@1.0876018 + 319.3072@1.0876018 1.0876018 (320.3145, 1072.98) 1 319.3072 319.3072@1.0876018 + 150.1038@1.0830275 1.0830275 (301.21555, 10671.577)(302.21957, 3315.2834)(151.11055, 7542.3364)(152.11496, 1454.56) 3 150.1038 150.1038@1.0830275 + 639.4709@1.0913132 1.0913132 (640.47675, 7242.899)(641.4769, 3606.6846)(642.49335, 22716.621)(643.497, 15941.38)(644.5096, 19720.7)(662.4613, 3352.02) 11 639.4709 639.4709@1.0913132 + 387.2612@1.086583 1.086583 (775.5297, 798.15)(388.2686, 30054.355)(389.27048, 13782.704) 14 387.2612 387.2612@1.086583 + 859.5824@1.0886011 1.0886011 (860.5897, 2013.78)(861.5831, 1052.46)(862.5907, 2473.7) 1 859.5824 859.5824@1.0886011 + 702.5134@1.0886011 1.0886011 (703.5207, 9548.01)(704.5266, 7734.03) 1 702.5134 702.5134@1.0886011 + 579.3663@1.1093254 1.1093254 (580.36926, 2544.43)(581.3669, 1739.16) 2 579.3663 579.3663@1.1093254 + 80.0625@1.1083452 1.1083452 (161.1322, 4544.258)(162.1337, 772.26)(81.06955, 2944.5283)(103.0535, 1145.34) 6 80.0625 80.0625@1.1083452 + 626.4847@1.093056 1.093056 (627.4941, 4570.4663)(628.4941, 3017.08)(644.5197, 7545.82)(645.5213, 3169.23)(646.5336, 2435.32) 5 626.4847 626.4847@1.093056 + 846.6005@1.0906 1.0906 (847.6078, 1912.89)(848.6049, 1914.85)(849.6116, 1287.86) 1 846.6005 846.6005@1.0906 + 246.1976@1.0906 1.0906 (247.2049, 2643.12)(248.2075, 869.88) 1 246.1976 246.1976@1.0906 + 379.2512@1.0906 1.0906 (380.2585, 4171.47) 1 379.2512 379.2512@1.0906 + 441.1821@1.0902283 1.0902283 (442.18268, 2280.2375)(459.2171, 5780.96)(464.1661, 995.94) 4 441.1821 441.1821@1.0902283 + (±)9,10-DiHOME + 1.0888939 1.0888939 C14828 (±)9,10-DiHOME [ C18 H34 O4, mfg=47.92, db=25.05, overall=36.49, CAS ID=263399-34-4, Lipid ID=LMFA01050350, KEGG ID=C14828, METLIN ID=35697 ] 263399-34-4 (646.5233, 2253.23)(647.5315, 1870.86)(648.5186, 2322.8)(315.2532, 4576.5464)(316.25122, 1731.4375)(332.2791, 5070.365)(337.23672, 7182.127)(338.2449, 3382.4849) 6 314.2455 (±)9,10-DiHOME + 1.0888939 + LMFA01050350 3-Butynoate + 1.091489 1.091489 C06144 3-Butynoate [ C4 H4 O2, db=47.61, overall=47.61, CAS ID=2345-51-9, KEGG ID=C06144, METLIN ID=63259 ] 2345-51-9 (103.039, 2705.9226)(85.02837, 3621.9924) 4 102.0315 3-Butynoate + 1.091489 + 365.1927@1.0925989 1.0925989 (366.2, 5251.98) 1 365.1927 365.1927@1.0925989 + 210.1256@1.0925989 1.0925989 (421.2558, 6800.43)(438.2856, 2547.47)(211.133, 25809.55)(212.1388, 4932.52) 1 210.1256 210.1256@1.0925989 + 769.6762@1.0902522 1.0902522 (770.6833, 87428.77)(771.686, 46014.234)(772.689, 12923.569)(773.6924, 2830.1611) 9 769.6762 769.6762@1.0902522 + 592.4705@1.0928957 1.0928957 (593.47626, 9760.581)(594.47784, 5959.64)(595.4923, 16180.176)(596.4958, 8293.31)(597.50354, 3725.9302)(610.5001, 5958.02)(611.5138, 3106.21)(612.5159, 5506.03)(615.4609, 4155.42)(616.4651, 3958.97)(617.4742, 5090.53) 5 592.4705 592.4705@1.0928957 + 768.6802@1.0910913 1.0910913 (769.6866, 14720.214) 3 768.6802 768.6802@1.0910913 + 443.1726@1.0929874 1.0929874 (444.17953, 2343.1165)(445.1807, 1183.54) 3 443.1726 443.1726@1.0929874 + 486.3344@1.1040974 1.1040974 (487.34296, 5547.8486) 5 486.3344 486.3344@1.1040974 + 254.1136@1.0941676 1.0941676 (255.12085, 6263.96)(256.12457, 1102.215)(237.111, 2724.69)(238.1172, 377.43) 2 254.1136 254.1136@1.0941676 + 687.6159@1.0976689 1.0976689 (688.6217, 3878.6296)(689.6242, 2092.037)(690.6266, 7906.754)(691.6291, 4421.0566)(692.6533, 5879.54)(693.657, 1941.31)(694.6613, 844.55) 17 687.6159 687.6159@1.0976689 + 727.5293@1.0935982 1.0935982 (728.5366, 3887.97)(729.5548, 1864.89) 1 727.5293 727.5293@1.0935982 + C24 H50 Cl N2 O S 1.180012 [ C24 H50 Cl N2 O S, mfg=61.01, overall=61.01 ] (450.34467, 5796.988)(451.34595, 2578.9421)(452.3296, 2256.7598)(467.3727, 6070.49)(472.325, 2758.23) 20 449.3344 C24 H50 Cl N2 O S + 366.2015@1.1070007 1.1070007 (750.4384, 541.49)(367.21033, 23699.273)(368.21457, 6870.2754)(369.2212, 6980.3604)(349.2024, 8523.26)(350.2052, 2793.79)(384.23825, 6559.6904)(385.2394, 3636.44) 12 366.2015 366.2015@1.1070007 + 653.4494@1.0945977 1.0945977 (654.4567, 15364.09)(655.4587, 6864.18) 1 653.4494 653.4494@1.0945977 + 231.1474@1.0955971 1.0955971 (463.3033, 3362.86)(232.1545, 6498.85) 1 231.1474 231.1474@1.0955971 + 382.182@1.0955971 1.0955971 (383.1893, 4783.05)(384.199, 3539.33) 1 382.182 382.182@1.0955971 + 762.5648@1.1024776 1.1024776 (763.5691, 2062.3096)(764.56836, 1314.0958)(765.5592, 892.14795)(780.5981, 10392.586)(781.6028, 5410.348)(782.60297, 2745.1025)(783.5991, 1255.0)(785.55304, 1060.6034) 20 762.5648 762.5648@1.1024776 + 676.4171@1.0955971 1.0955971 (677.4244, 3894.03) 1 676.4171 676.4171@1.0955971 + 70.0058@1.0965966 1.0965966 (71.013, 2305.44) 1 70.0058 70.0058@1.0965966 + 240.0974@1.0965966 1.0965966 (241.1047, 5595.59)(242.1099, 1394.27) 1 240.0974 240.0974@1.0965966 + 680.4502@1.0965966 1.0965966 (681.4575, 8498.57) 1 680.4502 680.4502@1.0965966 + 790.5996@1.097596 1.097596 (791.6069, 548.43)(792.6031, 869.01) 1 790.5996 790.5996@1.097596 + 374.1114@1.0970224 1.0970224 (375.12036, 2513.254)(376.124, 1059.6)(392.14536, 1451.0349) 5 374.1114 374.1114@1.0970224 + 699.4975@1.0940489 1.0940489 (700.5063, 4727.317)(701.5181, 2304.39)(702.5203, 4550.63) 3 699.4975 699.4975@1.0940489 + 655.4656@1.0863115 1.0863115 (656.4713, 10806.668)(657.4756, 5541.852) 9 655.4656 655.4656@1.0863115 + 196.1104@1.1224136 1.1224136 (410.25415, 14180.925)(411.2567, 5221.77)(197.11731, 5197.65)(198.12193, 1121.1274)(219.1022, 2436.56) 4 196.1104 196.1104@1.1224136 + 678.4326@1.1015937 1.1015937 (679.4399, 21244.43) 1 678.4326 678.4326@1.1015937 + 731.4898@1.1015937 1.1015937 (732.4971, 7353.07)(733.5034, 4549.56)(734.5072, 6096.26)(735.5145, 2764.63) 1 731.4898 731.4898@1.1015937 + 1039.7572@1.0520794 1.0520794 (1040.7708, 3864.9302)(1041.774, 3044.5)(1042.779, 2694.8599)(1043.7701, 2534.74)(1044.778, 2270.14) 2 1039.7572 1039.7572@1.0520794 + 801.6661@1.1022916 1.1022916 (802.67175, 3349.693)(803.6738, 2018.3608)(804.6758, 1062.5201) 13 801.6661 801.6661@1.1022916 + Estradiol-17-phenylpropionate 1.1060929 C14645 Estradiol-17-phenylpropionate [ C27 H32 O3, db=35.13, overall=35.13, CAS ID=26443-03-8, KEGG ID=C14645, METLIN ID=70228 ] 26443-03-8 (809.4807, 1045.27)(405.24442, 7185.6694)(406.24332, 3742.3147)(407.2392, 5561.0) 9 404.2351 Estradiol-17-phenylpropionate + 410.1851@1.1158131 1.1158131 (411.19278, 5729.4165)(412.1959, 3460.7568) 6 410.1851 410.1851@1.1158131 + 248.2502@1.10501 1.10501 (249.25717, 3299.9624)(250.2613, 1334.91) 4 248.2502 248.2502@1.10501 + 800.6659@1.104025 1.104025 (801.6721, 1230.8867)(783.6636, 3312.955)(784.6717, 2228.135)(785.6797, 993.535) 3 800.6659 800.6659@1.104025 + C40 H78 N6 O2 S 1.1015862 [ C40 H78 N6 O2 S, mfg=82.50, overall=82.50 ] (707.6002, 7666.5083)(708.6025, 3879.2952)(709.58795, 1694.765)(724.6216, 1800.74) 13 706.5922 C40 H78 N6 O2 S + 744.5667@1.1054025 1.1054025 (745.57544, 3664.0764) 3 744.5667 744.5667@1.1054025 + C16 H28 O3 1.1637951 [ C16 H28 O3, mfg=75.23, overall=75.23 ] (537.4148, 4920.19)(538.4156, 2299.17)(554.4421, 1597.36)(559.3969, 2773.47)(269.21036, 8728.319)(270.20993, 2427.4526)(271.20065, 4416.825)(251.1999, 8163.57)(252.2027, 1966.8)(286.23615, 1834.6599)(291.19342, 2952.9866)(292.1886, 1203.09) 19 268.2026 C16 H28 O3 + 374.2077@1.1213933 1.1213933 (749.4278, 1283.39)(375.2159, 6557.435)(392.2397, 6281.95) 6 374.2077 374.2077@1.1213933 + 1044.724@1.1075903 1.1075903 (1045.7312, 1225.86)(1046.7382, 1182.21)(1047.7429, 613.62) 1 1044.724 1044.724@1.1075903 + 264.2448@1.0987928 1.0987928 (265.25165, 2275.5818)(266.2557, 1046.75)(282.2773, 2865.28)(287.2357, 2528.28)(288.2486, 1152.81) 5 264.2448 264.2448@1.0987928 + 673.4766@1.1085896 1.1085896 (674.4839, 299982.62)(675.487, 131172.39) 1 673.4766 673.4766@1.1085896 + C19 H31 N5 O3 1.1204575 [ C19 H31 N5 O3, mfg=59.18, overall=59.18 ] (772.5201, 1261.03)(378.2507, 19485.445)(379.2514, 7744.893) 12 377.2413 C19 H31 N5 O3 + 411.3357@1.1318119 1.1318119 (412.3415, 2868.668)(413.354, 2362.22)(429.3709, 825.27) 5 411.3357 411.3357@1.1318119 + 1023.7763@1.1095891 1.1095891 (1024.7836, 1972.41)(1025.7885, 1192.88)(1026.7932, 825.84) 1 1023.7763 1023.7763@1.1095891 + 671.4603@1.1018063 1.1018063 (672.4708, 8388.896)(673.47473, 3927.136)(674.4708, 3012.85)(675.4773, 2175.09)(676.4808, 1481.61)(654.4535, 2478.75) 5 671.4603 671.4603@1.1018063 + 681.4801@1.1168365 1.1168365 (682.487, 3865.0474)(683.4947, 2118.9773) 4 681.4801 681.4801@1.1168365 + 428.3512@1.1063423 1.1063423 (429.36053, 3155.355)(411.3465, 5996.44)(451.34, 3119.01) 2 428.3512 428.3512@1.1063423 + 1047.7289@1.1095891 1.1095891 (1048.7362, 964.99) 1 1047.7289 1047.7289@1.1095891 + 766.6289@1.1041859 1.1041859 (767.63965, 1745.0435)(768.639, 1728.0233) 9 766.6289 766.6289@1.1041859 + 622.4447@1.1026704 1.1026704 (623.45386, 3011.62)(640.4774, 5695.8)(641.4793, 3606.31) 2 622.4447 622.4447@1.1026704 + 1028.7253@1.1105884 1.1105884 (1029.7327, 1109.14)(1030.7379, 1136.65)(1031.7445, 602.92) 1 1028.7253 1028.7253@1.1105884 + C46 H78 N3 O4 1.1117389 [ C46 H78 N3 O4, mfg=47.61, overall=47.61 ] (737.60657, 4790.796)(754.6349, 1075.63) 23 736.6001 C46 H78 N3 O4 + 156.1151@1.1125873 1.1125873 (157.1221, 13995.13)(158.1242, 1597.92)(139.1117, 18970.82)(179.107, 4017.2) 1 156.1151 156.1151@1.1125873 + 203.1312@1.1598608 1.1598608 (204.13684, 9065.155)(205.1346, 2897.21) 2 203.1312 203.1312@1.1598608 + 381.2285@1.1093378 1.1093378 (382.2361, 6710.4937)(383.2404, 5679.75) 3 381.2285 381.2285@1.1093378 + 660.5012@1.1135867 1.1135867 (661.5084, 14586.37)(662.5022, 5007.46) 1 660.5012 660.5012@1.1135867 + 436.1857@1.1430408 1.1430408 (437.19278, 37614.08)(438.19748, 13433.82)(439.203, 3282.0898) 4 436.1857 436.1857@1.1430408 + 652.4338@1.0595187 1.0595187 (653.43384, 2480.5925)(670.468, 23472.395)(671.47125, 10474.645)(672.47675, 3284.7852) 4 652.4338 652.4338@1.0595187 + 695.4542@1.1193522 1.1193522 (696.46045, 2346.95)(697.46124, 1302.4667) 3 695.4542 695.4542@1.1193522 + 657.4822@1.1357664 1.1357664 (658.49023, 20615.082)(659.49384, 8899.114)(660.49695, 11110.216)(675.5125, 1225.89)(676.5192, 1056.37)(680.4764, 1535.23) 14 657.4822 657.4822@1.1357664 + 705.4662@1.1358048 1.1358048 (706.4771, 9062.907)(707.4825, 1549.6051)(708.48987, 1541.185)(723.5111, 1054.51) 11 705.4662 705.4662@1.1358048 + 1025.6992@1.090461 1.090461 (1026.7002, 1084.4551)(1027.717, 718.24)(1028.7252, 773.02) 2 1025.6992 1025.6992@1.090461 + 553.389@1.078226 1.078226 (554.3996, 7061.237)(555.4062, 3121.2234)(556.3848, 10819.25)(571.434, 4546.58) 3 553.389 553.389@1.078226 + C24 H37 N5 O S2 1.1099585 [ C24 H37 N5 O S2, mfg=84.07, overall=84.07 ] (476.2502, 4411.3564)(477.25308, 1472.337)(478.2608, 782.3)(458.2423, 1182.9)(493.27383, 889.35254) 14 475.2436 C24 H37 N5 O S2 + 763.5958@1.1124407 1.1124407 (764.6005, 3177.5547)(765.6043, 1826.3479)(766.61847, 1561.0249) 10 763.5958 763.5958@1.1124407 + C26 H40 Cl S 1.1528978 [ C26 H40 Cl S, mfg=59.61, overall=59.61 ] (420.25873, 6430.9277)(421.25922, 2910.6116)(402.24854, 16030.225)(403.2583, 6674.63)(437.28647, 5138.677)(438.2866, 2323.315)(439.2929, 1869.04)(442.2443, 6852.6553)(443.2493, 3283.71) 20 419.2523 C26 H40 Cl S + 1017.6959@1.1175845 1.1175845 (1018.7031, 5572.31)(1019.7076, 3242.4)(1020.7163, 2433.21) 1 1017.6959 1017.6959@1.1175845 + 393.2372@1.1293101 1.1293101 (787.4936, 1041.8)(394.2461, 20267.928)(395.245, 4778.885)(411.27283, 4953.92) 3 393.2372 393.2372@1.1293101 + 715.5007@1.1175845 1.1175845 (716.5079, 5900.19)(717.5161, 3368.23) 1 715.5007 715.5007@1.1175845 + 242.0719@1.1177675 1.1177675 (243.0789, 2359.3699) 3 242.0719 242.0719@1.1177675 + 703.451@1.1404887 1.1404887 (704.461, 5833.4756)(705.46436, 3510.4888)(706.4743, 6363.84)(707.4774, 2770.25)(708.4956, 1157.42)(721.4821, 812.22) 9 703.451 703.451@1.1404887 + 763.4826@1.1923966 1.1923966 (764.48364, 1961.35)(765.4804, 1411.35) 2 763.4826 763.4826@1.1923966 + 981.6733@1.1195832 1.1195832 (982.6806, 1450.0)(983.6917, 566.96)(984.6969, 2408.96)(985.7012, 1308.6)(986.7134, 2400.56) 1 981.6733 981.6733@1.1195832 + 689.4708@1.1215017 1.1215017 (690.4768, 9809.13)(691.4769, 1868.8801)(692.4763, 1118.77)(712.455, 3941.14)(713.467, 2096.09) 8 689.4708 689.4708@1.1215017 + 260.1774@1.1195832 1.1195832 (261.1847, 3135.14) 1 260.1774 260.1774@1.1195832 + 741.5529@1.1181815 1.1181815 (742.56067, 4318.4536)(743.56055, 3643.6133)(744.57227, 3233.1301) 8 741.5529 741.5529@1.1181815 + 997.6656@1.1195832 1.1195832 (998.6729, 901.13)(999.6828, 741.73)(1000.6926, 3152.17)(1001.6958, 2341.91)(1002.7067, 6337.78) 1 997.6656 997.6656@1.1195832 + 1002.7038@1.1205827 1.1205827 (1003.7111, 3295.8)(1004.7191, 2175.03)(1005.725, 936.31) 1 1002.7038 1002.7038@1.1205827 + 518.3217@1.1205827 1.1205827 (519.3289, 3774.06) 1 518.3217 518.3217@1.1205827 + 583.4083@1.100678 1.100678 (584.4145, 4010.335)(585.41235, 2409.815)(586.41406, 4722.525)(587.4276, 4705.52)(588.4383, 4269.76) 2 583.4083 583.4083@1.100678 + 662.4379@1.1186557 1.1186557 (663.4486, 9393.03)(664.4508, 4687.95)(665.463, 3984.245) 2 662.4379 662.4379@1.1186557 + 357.2923@1.187544 1.187544 (715.5812, 1251.655)(358.29422, 6695.4126)(359.304, 901.98) 7 357.2923 357.2923@1.187544 + 282.2575@1.099112 1.099112 (582.5434, 883.82)(283.26367, 1891.1901)(265.2525, 2989.83)(305.2468, 5174.36)(306.2516, 1338.38) 3 282.2575 282.2575@1.099112 + 1049.6857@1.1225816 1.1225816 (1050.693, 2665.66)(1051.6945, 1282.24)(1052.7039, 888.37) 1 1049.6857 1049.6857@1.1225816 + 278.1883@1.1284381 1.1284381 (557.3845, 2464.395)(574.4023, 3019.52)(579.3646, 1369.31)(279.19424, 4950.8984)(280.19385, 1372.05)(301.17844, 3218.7537) 6 278.1883 278.1883@1.1284381 + 319.3042@1.1225816 1.1225816 (320.3115, 2065.66) 1 319.3042 319.3042@1.1225816 + 306.1227@1.1235621 1.1235621 (307.12933, 3835.395)(308.14075, 1042.65)(309.1325, 2050.22) 4 306.1227 306.1227@1.1235621 + 873.6099@1.1235809 1.1235809 (874.6172, 1364.17)(875.6238, 954.97) 1 873.6099 873.6099@1.1235809 + 768.5883@1.1248733 1.1248733 (769.5972, 2426.7275) 4 768.5883 768.5883@1.1248733 + 529.3969@1.1235809 1.1235809 (530.4041, 14972.97) 1 529.3969 529.3969@1.1235809 + 665.4755@1.0989606 1.0989606 (666.4809, 2282.564)(667.4862, 1460.604)(668.473, 5555.11)(669.4769, 3139.64)(688.46765, 14292.645)(689.4699, 6942.01)(690.4805, 5678.94)(691.4815, 2637.32) 5 665.4755 665.4755@1.0989606 + 754.6232@1.1242305 1.1242305 (755.62915, 3226.1985) 24 754.6232 754.6232@1.1242305 + 604.432@1.1270833 1.1270833 (605.44403, 3957.4)(606.4451, 2553.06)(607.4527, 3744.39)(627.4269, 848.37) 2 604.432 604.432@1.1270833 + 859.5703@1.1235809 1.1235809 (860.5776, 1526.32)(861.5804, 1051.6) 1 859.5703 859.5703@1.1235809 + 825.5748@1.1245804 1.1245804 (826.5821, 983.01) 1 825.5748 825.5748@1.1245804 + 176.1197@1.126408 1.126408 (177.12701, 7493.075)(178.1285, 1529.8401)(194.15341, 3361.27)(199.1079, 1861.18) 2 176.1197 176.1197@1.126408 + 899.6012@1.1245804 1.1245804 (900.6085, 1261.67)(901.6119, 753.18) 1 899.6012 899.6012@1.1245804 + 958.6631@1.1245804 1.1245804 (959.6704, 765.86)(960.6797, 574.2) 1 958.6631 958.6631@1.1245804 + 623.4654@1.1690956 1.1690956 (624.4756, 1937.1044)(625.47925, 1183.515)(606.462, 3647.815)(607.4693, 1832.89)(646.4557, 2410.4858)(647.4597, 1703.1733)(648.4641, 1517.16) 7 623.4654 623.4654@1.1690956 + 885.6104@1.1255798 1.1255798 (886.6177, 1454.39)(887.6237, 769.91)(888.6149, 872.7) 1 885.6104 885.6104@1.1255798 + 575.3934@1.1305572 1.1305572 (576.4031, 3434.3828)(577.4063, 2258.6348)(578.4051, 2253.1375) 4 575.3934 575.3934@1.1305572 + 1031.6748@1.1255798 1.1255798 (1032.6821, 2128.34)(1033.6844, 1286.14)(1034.6957, 2404.49)(1035.7014, 1318.21)(1036.7031, 839.06) 1 1031.6748 1031.6748@1.1255798 + 408.326@1.1036743 1.1036743 (409.33096, 4953.6865)(426.355, 2044.58) 11 408.326 408.326@1.1036743 + 755.4947@1.1238703 1.1238703 (756.5086, 2053.8)(757.51624, 1656.82)(758.52295, 1892.835) 3 755.4947 755.4947@1.1238703 + 244.2187@1.1271523 1.1271523 (245.22534, 2624.495) 2 244.2187 244.2187@1.1271523 + 629.6103@1.1223283 1.1223283 (630.61694, 1846.7576)(631.62, 1059.2643)(652.5965, 600.6) 8 629.6103 629.6103@1.1223283 + 1015.6798@1.1255798 1.1255798 (1016.687, 1493.52)(1017.692, 1272.3) 1 1015.6798 1015.6798@1.1255798 + 348.2261@1.105372 1.105372 (714.4845, 8883.64)(715.4937, 4511.46)(719.4438, 2528.36)(349.23477, 3665.9077)(350.2291, 1714.625)(331.2238, 2449.86) 4 348.2261 348.2261@1.105372 + 114.068@1.1250812 1.1250812 (229.14374, 17722.508)(230.14551, 3320.42)(231.13857, 3149.897)(232.1364, 1071.64)(246.16885, 2950.653)(251.1279, 4559.948)(252.13103, 1351.4501)(115.07524, 4755.2837)(116.0787, 724.88) 14 114.068 114.068@1.1250812 + 252.1718@1.1420827 1.1420827 (253.17865, 7459.1396)(254.17955, 1933.6199) 2 252.1718 252.1718@1.1420827 + 407.3231@1.123856 1.123856 (408.3299, 12567.553)(409.3325, 4834.25)(430.312, 4961.4) 4 407.3231 407.3231@1.123856 + 401.2449@1.1398565 1.1398565 (803.4911, 1227.066)(804.4906, 1092.18)(402.24973, 6792.4927)(403.24527, 4391.227)(419.2764, 1850.9299)(424.2351, 5114.1265)(425.24774, 2594.27) 7 401.2449 401.2449@1.1398565 + 400.334@1.1076676 1.1076676 (401.3446, 87293.63)(402.34384, 38328.824)(403.34595, 7368.425)(383.3388, 6162.07)(384.3402, 3224.0)(385.3453, 4625.76) 3 400.334 400.334@1.1076676 + 695.5524@1.1102619 1.1102619 (696.5635, 1724.9033)(697.5689, 1540.335) 3 695.5524 695.5524@1.1102619 + 252.2432@1.1265792 1.1265792 (253.2505, 4381.43)(254.2517, 1314.85)(255.2398, 4437.44) 1 252.2432 252.2432@1.1265792 + Corey PG-Lactone Diol + 1.133648 1.133648 Corey PG-Lactone Diol [ C15 H24 O4, mfg=75.22, db=75.21, overall=75.21, METLIN ID=63037 ] (537.34143, 1564.1866)(554.36566, 1781.01)(559.3229, 963.76)(269.17444, 39939.047)(270.17636, 7797.7803)(271.17755, 4386.1313)(251.16425, 3893.2651)(252.1658, 1959.69)(286.2008, 3914.8198)(291.15836, 1719.7311)(292.1561, 1006.55) 21 268.1675 Corey PG-Lactone Diol + 1.133648 + 538.3507@1.0983714 1.0983714 (539.36224, 2670.595)(556.3869, 7923.04)(557.3861, 2922.49) 2 538.3507 538.3507@1.0983714 + 708.4091@1.1311507 1.1311507 (709.41455, 2471.29)(710.4281, 1421.455)(711.4312, 5320.32)(691.4073, 2120.0) 2 708.4091 708.4091@1.1311507 + 567.3739@1.1110187 1.1110187 (568.38025, 3092.28)(569.3801, 1806.865)(570.37115, 3283.165) 3 567.3739 567.3739@1.1110187 + 10-Deoxymethynolide 1.1252754 C11993 10-Deoxymethynolide [ C17 H28 O4, mfg=42.93, db=13.02, overall=27.97, Lipid ID=LMPK04000034, KEGG ID=C11993, METLIN ID=40998 ] (297.20493, 6047.779)(298.2042, 2241.446)(299.20117, 3862.2532)(279.19424, 4550.49)(280.1935, 1942.28)(319.1892, 5306.0664) 7 296.1993 10-Deoxymethynolide + LMPK04000034 5,6-epoxy-18R-HEPE 1.1154392 C18175 5,6-epoxy-18R-HEPE [ C20 H28 O4, mfg=68.71, db=68.60, overall=68.65, Lipid ID=LMFA03070026, KEGG ID=C18175, METLIN ID=36357 ] (665.4077, 957.89)(682.4222, 1204.1)(333.2049, 16381.336)(334.20316, 5794.717)(315.1954, 18801.6)(316.19824, 6287.06)(350.2304, 2749.545)(355.1873, 978.66) 14 332.1979 5,6-epoxy-18R-HEPE + LMFA03070026 719.4487@1.1112087 1.1112087 (720.4588, 3485.0068)(721.46655, 2732.225)(722.4729, 11753.32)(723.4782, 4124.52)(724.4917, 5841.66) 3 719.4487 719.4487@1.1112087 + 438.3358@1.1436583 1.1436583 (439.3418, 4315.375)(440.34244, 2191.2983)(441.34766, 4279.93)(421.3283, 3659.1)(456.3673, 3098.6047)(457.3656, 3307.74)(461.32602, 6984.0796)(462.335, 7054.55) 16 438.3358 438.3358@1.1436583 + 491.3797@1.13042 1.13042 (492.38547, 6631.476)(493.3889, 4735.4883)(514.3741, 4911.71) 17 491.3797 491.3797@1.13042 + 288.1723@1.1270398 1.1270398 (289.17944, 6068.972)(290.1828, 1944.6001) 6 288.1723 288.1723@1.1270398 + 202.1716@1.1052451 1.1052451 (203.17899, 1473.145) 2 202.1716 202.1716@1.1052451 + 466.3293@1.1098816 1.1098816 (467.33496, 4305.104)(468.33167, 2812.52)(469.3265, 2125.25)(449.3263, 4954.76)(484.36392, 18587.701)(485.36432, 9054.895)(489.316, 3452.8967) 5 466.3293 466.3293@1.1098816 + 536.4081@1.1283876 1.1283876 (537.41345, 5474.3486)(538.4197, 2853.181)(539.42804, 3262.0466)(519.4015, 7049.62)(520.3924, 3091.97)(554.4421, 6166.84)(555.4383, 3294.44)(556.4461, 4616.7)(559.3995, 3827.6086) 15 536.4081 536.4081@1.1283876 + 139.1356@1.1295774 1.1295774 (140.1429, 1586.03) 1 139.1356 139.1356@1.1295774 + 1202.3258@1.1122859 1.1122859 (1203.3333, 7133.9365)(1204.3324, 7150.4287)(1205.332, 5527.728) 9 1202.3258 1202.3258@1.1122859 + 295.1824@1.1295774 1.1295774 (608.4008, 3354.42)(296.1884, 6034.25) 1 295.1824 295.1824@1.1295774 + 571.372@1.1125673 1.1125673 (572.3787, 5459.32)(573.3701, 2680.845) 2 571.372 571.372@1.1125673 + 845.6039@1.1040868 1.1040868 (846.6108, 2747.5298)(847.61334, 1496.3715)(848.6211, 1017.92303)(868.5943, 822.78) 15 845.6039 845.6039@1.1040868 + 418.3441@1.1295774 1.1295774 (419.3514, 6216.24) 1 418.3441 418.3441@1.1295774 + 508.34@1.1119937 1.1119937 (1039.6675, 1281.24)(509.34448, 4164.7573)(510.34595, 2496.88)(511.3596, 6544.22)(526.36896, 4344.73)(527.3899, 4419.33)(531.3318, 1967.59) 7 508.34 508.34@1.1119937 + 276.1721@1.1304072 1.1304072 (570.3772, 2105.92)(277.17923, 14582.576)(278.18118, 3883.5264)(294.2075, 2700.04)(299.16095, 2978.2397) 7 276.1721 276.1721@1.1304072 + 194.1302@1.1312811 1.1312811 (195.13655, 24935.285)(196.13869, 4410.846) 5 194.1302 194.1302@1.1312811 + 735.4428@1.1715354 1.1715354 (736.4578, 3737.39)(737.4668, 2148.3665)(738.4685, 6525.8)(739.4737, 1618.76)(740.4943, 2843.19)(753.4754, 3177.46) 3 735.4428 735.4428@1.1715354 + 547.3588@1.1020684 1.1020684 (548.3642, 5148.755)(549.3747, 3478.57)(550.3642, 4162.1) 2 547.3588 547.3588@1.1020684 + 750.5308@1.1325756 1.1325756 (751.5366, 3322.25)(752.5476, 2409.85)(768.5682, 1153.46)(773.5212, 1096.92) 1 750.5308 750.5308@1.1325756 + 729.4793@1.1259634 1.1259634 (730.4807, 3510.5674)(731.4873, 2112.5432)(747.512, 3266.66) 4 729.4793 729.4793@1.1259634 + 506.3233@1.123034 1.123034 (507.32922, 9429.76)(508.33798, 5234.2036)(509.3426, 3404.2)(524.3587, 3812.3) 4 506.3233 506.3233@1.123034 + 501.368@1.1126653 1.1126653 (502.37427, 17813.93)(503.3758, 6361.5435)(504.38293, 9967.959)(505.38974, 6570.5503)(506.4026, 8775.5)(519.4032, 6821.968)(520.40204, 3044.7175)(524.3578, 2276.145)(525.3662, 1288.95) 17 501.368 501.368@1.1126653 + 483.3177@1.138012 1.138012 (484.32632, 4269.8354)(485.32498, 2809.0044)(501.35297, 2264.56) 9 483.3177 483.3177@1.138012 + 580.3591@1.1325756 1.1325756 (581.3693, 2429.51)(563.3556, 4151.1)(598.3897, 2423.37)(599.3844, 1620.79) 1 580.3591 580.3591@1.1325756 + 681.5703@1.1331578 1.1331578 (682.5685, 1049.6334)(683.5724, 867.70996) 3 681.5703 681.5703@1.1331578 + C17 H27 N4 S 1.1391323 [ C17 H27 N4 S, mfg=47.61, overall=47.61 ] (639.3985, 1005.13)(661.3888, 641.14)(320.20737, 18773.232)(321.207, 8848.908)(322.20328, 3975.4314)(302.19543, 3687.39)(342.18884, 1672.595) 14 319.1995 C17 H27 N4 S + 172.1105@1.1220492 1.1220492 (367.2092, 35503.1)(368.2118, 7771.13)(173.11824, 10747.974)(174.12268, 1668.258)(175.1122, 1876.98)(155.1065, 17239.31)(156.1093, 1918.8)(190.1431, 1277.62)(195.1012, 4038.3733)(196.1003, 534.8) 7 172.1105 172.1105@1.1220492 + 569.4299@1.0837469 1.0837469 (570.43646, 5270.115)(571.4345, 3901.9917)(572.4268, 4426.4624)(587.4658, 2277.7366) 6 569.4299 569.4299@1.0837469 + 676.4179@1.1271514 1.1271514 (677.42523, 3336.365)(678.4376, 2854.43) 2 676.4179 676.4179@1.1271514 + 724.4845@1.1255519 1.1255519 (725.4954, 1630.4401)(707.481, 3617.57)(708.4931, 2000.45)(747.4708, 3327.49) 2 724.4845 724.4845@1.1255519 + 743.4475@1.1345745 1.1345745 (744.4548, 3147.19)(745.4691, 1045.18) 1 743.4475 743.4475@1.1345745 + 641.4866@1.10629 1.10629 (642.49603, 10555.688)(643.4963, 5934.4014)(644.5044, 6294.585)(624.48206, 3476.915)(625.4829, 2345.7)(626.492, 3403.03) 5 641.4866 641.4866@1.10629 + 877.5718@1.135574 1.135574 (878.5791, 1161.84)(879.5861, 761.8) 1 877.5718 877.5718@1.135574 + 580.4267@1.1115328 1.1115328 (581.4334, 2307.7883)(603.4176, 1735.565) 6 580.4267 580.4267@1.1115328 + 631.5547@1.1244419 1.1244419 (632.56067, 1592.9498)(633.56116, 931.7525)(634.5749, 1489.42)(654.539, 1205.79) 9 631.5547 631.5547@1.1244419 + 754.4823@1.1365733 1.1365733 (755.4896, 2059.6) 1 754.4823 754.4823@1.1365733 + 285.1949@1.2026429 1.2026429 (588.4238, 1496.32)(286.20142, 4444.352)(287.2006, 2171.48) 10 285.1949 285.1949@1.2026429 + 533.3573@1.1350454 1.1350454 (534.3659, 11056.285)(535.3631, 8487.83)(536.3768, 5403.68)(516.3578, 7516.06)(551.39087, 3683.51) 2 533.3573 533.3573@1.1350454 + 480.3076@1.1385722 1.1385722 (481.3148, 3742.12)(482.31, 2013.39) 1 480.3076 480.3076@1.1385722 + 429.3469@1.1411276 1.1411276 (430.3531, 3591.095)(452.33694, 4222.3022)(453.3396, 2702.56) 4 429.3469 429.3469@1.1411276 + 576.3262@1.1385722 1.1385722 (577.3335, 2224.83) 1 576.3262 576.3262@1.1385722 + 426.3101@1.1395715 1.1395715 (427.3174, 3273.22) 1 426.3101 426.3101@1.1395715 + N-acetyl-S-geranylgeranyl-L-Cysteine 1.1228797 N-acetyl-S-geranylgeranyl-L-Cysteine [ C25 H41 N O3 S, mfg=45.32, db=49.75, overall=47.53, CAS ID=139332-94-8, METLIN ID=43438 ] 139332-94-8 (436.2919, 14666.395)(437.29102, 10070.773)(438.2881, 3188.656)(453.31555, 3091.37) 19 435.283 N-acetyl-S-geranylgeranyl-L-Cysteine + 473.3346@1.1312606 1.1312606 (474.34238, 5454.3545)(475.34213, 2780.03)(456.3314, 4795.35)(457.3322, 2410.51)(458.3437, 2472.1)(491.3725, 4505.075)(496.32153, 1684.2799) 10 473.3346 473.3346@1.1312606 + 305.1874@1.184653 1.184653 (306.19467, 4952.826)(323.2201, 5723.03) 5 305.1874 305.1874@1.184653 + C22 H37 Cl N4 O S 1.1378329 [ C22 H37 Cl N4 O S, mfg=47.62, overall=23.81 ] (441.24496, 6305.02) 7 440.238 C22 H37 Cl N4 O S + 822.4514@1.1371868 1.1371868 (823.459, 1591.345)(824.47766, 1035.745) 2 822.4514 822.4514@1.1371868 + 54.0469@1.1463327 1.1463327 (55.05376, 1832.8734) 3 54.0469 54.0469@1.1463327 + 312.2298@1.1462579 1.1462579 (642.4948, 3921.0898)(647.4512, 2649.44)(313.23685, 8024.0044)(314.23505, 3365.9487)(330.26355, 170397.61)(331.27, 49206.066)(335.2195, 56436.02)(336.22287, 16015.861) 9 312.2298 312.2298@1.1462579 + 331.2007@1.2043344 1.2043344 (332.20816, 5387.635) 2 331.2007 331.2007@1.2043344 + 94.1147@1.1445686 1.1445686 (95.122, 1181.34) 1 94.1147 94.1147@1.1445686 + 306.1827@1.1402295 1.1402295 (613.3752, 994.5867)(307.18997, 13414.578)(308.20145, 5416.2563)(324.21667, 3345.51)(329.17206, 2096.6775)(330.1875, 894.43) 10 306.1827 306.1827@1.1402295 + 108.0575@1.1835045 1.1835045 (109.06522, 8373.396)(91.0541, 15174.34)(92.0587, 1607.29) 3 108.0575 108.0575@1.1835045 + 779.5014@1.1495656 1.1495656 (780.5087, 4233.88)(781.5101, 2049.09) 1 779.5014 779.5014@1.1495656 + 617.4928@1.1491821 1.1491821 (618.5016, 1651.7051)(619.5022, 1030.765) 2 617.4928 617.4928@1.1491821 + 96.0939@1.1616158 1.1616158 (97.1011, 3537.2234)(119.0856, 64679.63)(120.0907, 8016.4) 3 96.0939 96.0939@1.1616158 + 123.0883@1.1482105 1.1482105 (124.0956, 2985.9448) 2 123.0883 123.0883@1.1482105 + 781.4155@1.150565 1.150565 (782.4228, 2448.17)(783.4268, 2286.37) 1 781.4155 781.4155@1.150565 + 262.1213@1.1506575 1.1506575 (263.12787, 3364.9668)(264.1266, 979.63)(245.11797, 9886.656)(246.12634, 2405.8665) 3 262.1213 262.1213@1.1506575 + 850.39@1.1503354 1.1503354 (851.39844, 3918.282)(852.40106, 2174.192)(853.411, 1281.255) 5 850.39 850.39@1.1503354 + 395.2092@1.1515645 1.1515645 (808.4476, 917.13)(396.2167, 6904.1) 1 395.2092 395.2092@1.1515645 + 746.4042@1.1515645 1.1515645 (747.4115, 1351.18)(748.4156, 908.47) 1 746.4042 746.4042@1.1515645 + 778.3913@1.1510265 1.1510265 (779.3994, 3496.7266)(780.40265, 1606.0366)(781.41437, 2840.2168)(782.4188, 616.38) 3 778.3913 778.3913@1.1510265 + methyl (+)-7-isojasmonate 1.1494325 C16318 methyl (+)-7-isojasmonate [ C13 H20 O3, mfg=61.99, db=61.93, overall=61.96, Lipid ID=LMFA02020016, KEGG ID=C16318, METLIN ID=45946 ] (449.28418, 1552.4701)(466.3179, 1029.94)(225.14821, 7442.135)(226.14911, 1781.3442)(207.1372, 3197.035)(247.13182, 2700.3525)(248.136, 1223.9401) 15 224.1412 methyl (+)-7-isojasmonate + LMFA02020016 C37 H47 N2 1.1160452 [ C37 H47 N2, mfg=58.94, overall=58.94 ] (520.3793, 3951.8462)(521.3824, 2596.51)(522.3744, 5244.29)(537.40515, 5155.7754)(538.4191, 2507.62)(542.3684, 3471.04) 5 519.3796 C37 H47 N2 + 731.513@1.1565615 1.1565615 (732.5202, 9130.16)(733.5254, 4093.8)(734.5309, 2888.15) 1 731.513 731.513@1.1565615 + 589.3421@1.157561 1.157561 (590.3493, 2165.71)(591.3542, 1940.6) 1 589.3421 589.3421@1.157561 + 114.1043@1.155743 1.155743 (251.2, 2346.24)(115.111496, 3278.5552)(97.101, 5755.44)(137.09465, 1555.5449) 8 114.1043 114.1043@1.155743 + 289.1971@1.1585604 1.1585604 (290.2044, 6117.05) 1 289.1971 289.1971@1.1585604 + 836.398@1.1595597 1.1595597 (837.4052, 1528.62)(838.4146, 847.4) 1 836.398 836.398@1.1595597 + 475.2443@1.1725309 1.1725309 (476.25403, 3047.065)(477.25192, 1071.7024)(478.26312, 973.78) 4 475.2443 475.2443@1.1725309 + 764.4086@1.1589024 1.1589024 (765.4184, 1536.525)(766.4308, 1118.86) 2 764.4086 764.4086@1.1589024 + 374.2079@1.1773683 1.1773683 (749.4237, 6960.335)(750.42944, 3773.46)(751.43604, 3072.725)(375.21484, 10222.717)(376.22906, 5476.975)(397.1949, 1757.38) 8 374.2079 374.2079@1.1773683 + 366.3272@1.163529 1.163529 (367.33395, 7107.248) 6 366.3272 366.3272@1.163529 + 352.2606@1.1615585 1.1615585 (353.2679, 75226.82)(354.2699, 24787.82) 1 352.2606 352.2606@1.1615585 + 278.2243@1.1609524 1.1609524 (574.4804, 1345.88)(279.2316, 11715.12)(280.2364, 3757.48)(301.2137, 5929.58) 3 278.2243 278.2243@1.1609524 + 338.2438@1.2075043 1.2075043 (694.51715, 2983.38)(695.5233, 2223.87)(696.5279, 1137.86)(339.25082, 4710.2876)(340.2488, 3131.64)(356.2777, 2560.68)(361.2333, 2253.09) 4 338.2438 338.2438@1.2075043 + 737.4672@1.1441498 1.1441498 (738.478, 2071.185)(739.4802, 1561.05)(720.4631, 1642.07)(721.476, 1051.36) 2 737.4672 737.4672@1.1441498 + 303.2036@1.1550663 1.1550663 (304.20865, 2749.625)(286.2008, 4576.025) 2 303.2036 303.2036@1.1550663 + 660.421@1.1645567 1.1645567 (661.4276, 2482.15)(662.4334, 1954.07)(683.4119, 1127.88) 1 660.421 660.421@1.1645567 + 400.2106@1.1653976 1.1653976 (818.4478, 1698.67)(819.4438, 906.99)(823.4172, 1153.99)(401.21884, 14894.735)(402.21884, 5669.6367)(403.2148, 2558.47)(383.2066, 5640.16)(384.2001, 1884.05)(423.20044, 5686.195)(424.2021, 3764.2) 16 400.2106 400.2106@1.1653976 + 257.1633@1.1886343 1.1886343 (537.3187, 1823.05)(258.171, 4331.283)(259.1705, 1739.69)(275.2013, 1592.94) 3 257.1633 257.1633@1.1886343 + 456.2014@1.1626487 1.1626487 (457.21515, 5305.545)(474.2333, 6053.64)(475.2366, 2811.05) 2 456.2014 456.2014@1.1626487 + 651.4951@1.2388647 1.2388647 (652.49677, 1679.3881)(653.5051, 1063.8766)(654.5096, 1002.96) 5 651.4951 651.4951@1.2388647 + 655.4632@1.1655562 1.1655562 (656.4704, 2575.57)(657.4667, 1504.61) 1 655.4632 655.4632@1.1655562 + 412.2469@1.1665556 1.1665556 (413.2561, 8344.44)(414.2516, 3446.94)(430.2802, 30720.07)(431.2849, 8735.87) 1 412.2469 412.2469@1.1665556 + 266.1888@1.1071305 1.1071305 (533.3839, 4658.75)(534.394, 2507.13)(267.19397, 4499.712)(268.1956, 1349.0249)(269.186, 1912.58)(284.22186, 1207.845)(289.17926, 5751.3716)(290.18555, 2453.06) 10 266.1888 266.1888@1.1071305 + 400.3009@1.1560434 1.1560434 (801.6123, 581.23)(401.30606, 4290.0444)(402.3185, 1495.67) 7 400.3009 400.3009@1.1560434 + 423.2821@1.1835229 1.1835229 (424.29056, 4792.899)(425.3017, 1270.38) 13 423.2821 423.2821@1.1835229 + 290.1882@1.1853516 1.1853516 (291.19656, 19073.01)(292.1979, 3047.3103)(293.1985, 26394.605)(294.2015, 3962.04) 3 290.1882 290.1882@1.1853516 + 373.2947@1.1678666 1.1678666 (374.30206, 57452.61)(375.30408, 19146.957)(391.3281, 7949.5) 9 373.2947 373.2947@1.1678666 + 617.4107@1.1705532 1.1705532 (618.4179, 2972.32)(619.416, 1730.7)(620.4301, 1957.05) 1 617.4107 617.4107@1.1705532 + 343.2356@1.1488448 1.1488448 (687.4597, 1055.61)(344.2392, 22370.93)(345.24316, 6592.413) 9 343.2356 343.2356@1.1488448 + 296.1262@1.1695055 1.1695055 (297.1335, 15143.384)(298.13687, 3310.4434) 3 296.1262 296.1262@1.1695055 + 687.4583@1.1354138 1.1354138 (688.4634, 3581.6125)(689.4688, 1845.1434)(690.4802, 6008.645)(691.4815, 2989.705)(692.4778, 0.0)(710.44, 899.1)(711.4346, 774.45) 4 687.4583 687.4583@1.1354138 + 597.3762@1.1735514 1.1735514 (598.3835, 1712.0)(599.3956, 1237.16)(600.3748, 1616.13) 1 597.3762 597.3762@1.1735514 + 719.5261@1.236835 1.236835 (720.5351, 1557.8899)(721.5227, 1069.79)(702.5221, 1279.24)(703.52313, 726.16)(704.5323, 629.23) 4 719.5261 719.5261@1.236835 + 793.4579@1.1755501 1.1755501 (794.4651, 1016.72)(795.4628, 805.57) 1 793.4579 793.4579@1.1755501 + 580.3593@1.1785606 1.1785606 (581.3661, 4254.49)(582.3697, 2673.51)(583.3827, 2202.55) 2 580.3593 580.3593@1.1785606 + 507.0685@1.1765496 1.1765496 (508.0758, 1905.15) 1 507.0685 507.0685@1.1765496 + 575.4034@1.1751707 1.1751707 (576.4103, 9772.72)(577.412, 4248.955)(578.416, 3168.435) 2 575.4034 575.4034@1.1751707 + 375.2253@1.1262412 1.1262412 (376.23425, 9534.851)(377.23465, 10147.775)(393.25848, 9268.463) 9 375.2253 375.2253@1.1262412 + 419.3061@1.1769586 1.1769586 (420.31314, 64989.875)(421.31613, 15699.154)(422.31342, 5253.2314) 8 419.3061 419.3061@1.1769586 + 734.4288@1.1775489 1.1775489 (735.4361, 2461.0) 1 734.4288 734.4288@1.1775489 + 272.0833@1.1763047 1.1763047 (273.0901, 3228.104)(274.0903, 1105.55) 11 272.0833 272.0833@1.1763047 + C19 H35 Cl2 N7 O2 1.1809083 [ C19 H35 Cl2 N7 O2, mfg=47.61, overall=47.61 ] (464.22833, 5608.627)(465.2355, 2941.8967)(466.23245, 2009.485)(446.2197, 2105.89) 10 463.2216 C19 H35 Cl2 N7 O2 + 691.4882@1.1785483 1.1785483 (692.4933, 3323.23)(714.4815, 2313.4) 1 691.4882 691.4882@1.1785483 + 334.1771@1.141484 1.141484 (335.1843, 7325.0884) 5 334.1771 334.1771@1.141484 + 445.2676@1.1795477 1.1795477 (446.2748, 6368.44)(447.2757, 3328.84) 1 445.2676 445.2676@1.1795477 + 338.1747@1.1786355 1.1786355 (339.1825, 11788.48)(340.18536, 3944.3901)(361.16498, 1916.01) 2 338.1747 338.1747@1.1786355 + 396.1776@1.1805471 1.1805471 (397.1849, 17216.04) 1 396.1776 396.1776@1.1805471 + 341.0902@1.1804931 1.1804931 (342.09756, 2711.4656)(343.10464, 1013.47675) 9 341.0902 341.0902@1.1804931 + 373.2109@1.1825459 1.1825459 (374.2182, 15332.68) 1 373.2109 373.2109@1.1825459 + 405.2993@1.2146584 1.2146584 (406.3106, 5609.9053)(407.31628, 2398.6301) 2 405.2993 405.2993@1.2146584 + 293.2564@1.2001904 1.2001904 (587.51105, 2064.5051)(588.5135, 798.76)(294.263, 12134.26)(295.26376, 4733.0967)(296.25824, 33382.867)(297.251, 16563.12) 9 293.2564 293.2564@1.2001904 + 348.1547@1.1845447 1.1845447 (349.162, 2599.49) 1 348.1547 348.1547@1.1845447 + DG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 1.1819592 DG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) [ C40 H66 O5, db=72.60, overall=36.30, HMP ID=HMDB07092, METLIN ID=58727 ] (627.4978, 16552.48)(628.4992, 11077.356)(629.50476, 4974.3154)(630.5105, 557.5) 22 626.4906 DG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) HMDB07092 + 320.1621@1.1845447 1.1845447 (321.1694, 7981.81)(322.1781, 2616.62) 1 320.1621 320.1621@1.1845447 + 210.1257@1.2142289 1.2142289 (211.13289, 22636.941)(212.13817, 4671.7964)(193.1228, 9032.9)(233.1163, 2310.125) 10 210.1257 210.1257@1.2142289 + 433.2653@1.1983016 1.1983016 (434.27194, 5435.813)(435.27588, 2755.5635)(451.296, 1385.54) 3 433.2653 433.2653@1.1983016 + 156.1149@1.1875445 1.1875445 (313.2352, 3463.71)(330.26285, 6032.1196)(331.2675, 3462.03)(157.12212, 7018.687)(158.1242, 3409.29)(179.107, 4011.83) 6 156.1149 156.1149@1.1875445 + 328.2256@1.1887712 1.1887712 (674.483, 1949.01)(675.4911, 1414.6)(329.23346, 10022.763)(330.23187, 5824.3447)(331.236, 3463.95)(311.22165, 28588.246)(312.22424, 8030.32)(346.26157, 11927.11)(347.2643, 3495.2266)(351.215, 16476.78)(352.217, 5697.22) 4 328.2256 328.2256@1.1887712 + 440.2356@1.1925398 1.1925398 (441.2428, 11215.94) 1 440.2356 440.2356@1.1925398 + 293.1051@1.1930166 1.1930166 (294.11282, 3826.3499)(295.1151, 1884.17) 7 293.1051 293.1051@1.1930166 + 722.4475@1.1965375 1.1965375 (723.4548, 2081.38)(724.4531, 1414.19) 1 722.4475 722.4475@1.1965375 + 384.2162@1.1966994 1.1966994 (769.4365, 569.38)(385.22363, 22722.508)(386.22363, 8023.22)(367.2107, 5290.42)(402.2485, 11245.65)(403.2471, 4039.74)(407.2053, 13675.809)(408.2089, 5225.24) 10 384.2162 384.2162@1.1966994 + 238.1566@1.1976699 1.1976699 (477.3095, 1832.66)(494.3426, 1142.72)(239.16293, 28375.56)(240.16508, 5464.355)(221.15352, 9806.673)(222.15242, 2176.133)(261.14642, 7878.9727)(262.16016, 3647.73) 23 238.1566 238.1566@1.1976699 + 488.1899@1.2020024 1.2020024 (489.1984, 4297.9863)(506.2236, 5322.19)(507.22617, 1527.33)(508.2375, 1023.68506)(511.17874, 2951.8733)(512.1837, 1204.725) 5 488.1899 488.1899@1.2020024 + 182.1666@1.2264342 1.2264342 (382.3654, 2992.5)(383.3683, 1134.43)(183.17378, 3944.111)(165.16344, 4475.317)(205.15767, 2150.585) 9 182.1666 182.1666@1.2264342 + 697.4511@1.1985363 1.1985363 (698.4583, 1483.7)(699.4811, 773.61) 1 697.4511 697.4511@1.1985363 + 241.204@1.1995357 1.1995357 (242.2113, 8706.57) 1 241.204 241.204@1.1995357 + 289.1896@1.1870729 1.1870729 (290.19534, 2899.4734)(272.186, 8003.55)(273.1864, 3356.2) 3 289.1896 289.1896@1.1870729 + 407.3606@1.199138 1.199138 (408.36798, 14651.07)(409.37048, 4615.745) 2 407.3606 407.3606@1.199138 + 563.4187@1.1489764 1.1489764 (564.422, 8125.4736)(565.42474, 3797.475)(566.43274, 4139.61)(567.437, 3306.72)(586.4067, 1248.76) 5 563.4187 563.4187@1.1489764 + 210.1621@1.2041725 1.2041725 (443.31534, 1755.2833)(211.16992, 23000.41)(212.16885, 3340.545)(193.15822, 9343.717)(194.15991, 614.08997)(228.19572, 303832.34)(229.19897, 51538.387)(230.20256, 10438.637)(231.20512, 1341.884)(233.15314, 3730.7651) 19 210.1621 210.1621@1.2041725 + 254.1518@1.1771665 1.1771665 (509.3065, 1182.9)(255.15901, 14505.349)(256.1719, 5199.8)(272.18573, 12587.692)(273.18588, 3785.048) 6 254.1518 254.1518@1.1771665 + 480.197@1.2006292 1.2006292 (481.2051, 1927.625)(482.2134, 1059.44)(463.19366, 8459.305)(464.2104, 3723.43) 2 480.197 480.197@1.2006292 + 491.2827@1.1705313 1.1705313 (492.28415, 2429.725)(493.2802, 1265.01) 2 491.2827 491.2827@1.1705313 + 300.1597@1.2204819 1.2204819 (301.16605, 3891.1802)(302.16168, 1299.4825)(303.1603, 1592.44)(318.19452, 7393.605)(319.19226, 2272.625)(323.1467, 2715.81) 8 300.1597 300.1597@1.2204819 + 266.1886@1.1923487 1.1923487 (533.3843, 3864.55)(534.3901, 2203.05)(267.19373, 5204.9277)(268.18948, 2337.82)(284.2202, 1394.69)(289.179, 2569.13) 4 266.1886 266.1886@1.1923487 + 94.0783@1.2770287 1.2770287 (206.19064, 1831.715)(95.08547, 10084.875)(96.088234, 1328.9532) 4 94.0783 94.0783@1.2770287 + 559.3855@1.2035332 1.2035332 (560.3928, 5438.47)(561.3903, 2534.97)(562.4076, 66064.38) 1 559.3855 559.3855@1.2035332 + 244.1321@1.2045326 1.2045326 (245.1401, 5925.44)(262.1628, 5984.89)(267.123, 4476.68)(268.122, 892.39) 1 244.1321 244.1321@1.2045326 + 507.39@1.205532 1.205532 (508.3972, 1714.78)(509.3906, 910.96) 1 507.39 507.39@1.205532 + C12 H23 N O2 + 1.2572443 1.2572443 [ C12 H23 N O2, mfg=68.66, overall=68.66 ] (444.3779, 1661.54)(445.3726, 975.25)(214.17986, 10628.23)(215.1821, 2349.9878)(216.1926, 1111.55)(196.1706, 902.0)(236.16205, 1979.3701) 31 213.1725 C12 H23 N O2 + 1.2572443 + 170.0954@1.2075307 1.2075307 (341.1983, 7848.55)(363.179, 4809.55)(171.1027, 7476.63)(172.1074, 1079.43) 1 170.0954 170.0954@1.2075307 + 769.4578@1.2095296 1.2095296 (770.4633, 880.9)(771.4689, 712.07)(792.4483, 851.14) 1 769.4578 769.4578@1.2095296 + 278.2236@1.2128074 1.2128074 (279.228, 7755.1865)(296.25784, 30486.734) 5 278.2236 278.2236@1.2128074 + 533.3628@1.2115283 1.2115283 (534.3695, 3769.0)(551.3982, 2186.3) 1 533.3628 533.3628@1.2115283 + 535.3827@1.2115283 1.2115283 (536.3899, 5240.43)(537.3943, 1826.48) 1 535.3827 535.3827@1.2115283 + 328.2566@1.2046221 1.2046221 (329.26593, 3658.865)(351.2455, 23924.22)(352.2548, 8285.05) 2 328.2566 328.2566@1.2046221 + 396.2986@1.2104431 1.2104431 (397.30798, 7427.662)(398.31235, 4263.67)(399.31293, 8762.835) 6 396.2986 396.2986@1.2104431 + 453.2937@1.2098937 1.2098937 (454.30167, 5146.3325)(455.3132, 4475.09) 4 453.2937 453.2937@1.2098937 + 393.238@1.2297796 1.2297796 (787.4777, 867.14)(394.24915, 11024.5)(395.24576, 2652.6748)(416.226, 9554.47)(417.227, 4741.07) 3 393.238 393.238@1.2297796 + C10 H21 Cl N5 1.1998032 [ C10 H21 Cl N5, mfg=46.70, overall=46.70 ] (493.3093, 1407.2949)(515.287, 861.975)(247.15599, 6201.4497)(248.15735, 2046.7719)(249.14848, 4979.4487)(264.17993, 4375.304)(265.1803, 5673.1)(266.1805, 3908.14)(269.1382, 4868.5146)(270.14017, 1991.2101)(271.1256, 1871.27) 26 246.1492 C10 H21 Cl N5 + 199.1577@1.1936632 1.1936632 (399.3244, 3030.99)(400.3338, 1499.43)(200.16423, 5847.61)(201.16437, 1700.2682) 6 199.1577 199.1577@1.1936632 + 485.2984@1.2344756 1.2344756 (486.31125, 1793.295)(487.2927, 956.45) 2 485.2984 485.2984@1.2344756 + 330.2265@1.2165253 1.2165253 (331.2338, 5171.02)(332.2392, 2756.2) 1 330.2265 330.2265@1.2165253 + 322.1784@1.2148511 1.2148511 (323.1856, 13630.52)(324.1977, 5246.34)(345.1706, 3423.23) 2 322.1784 322.1784@1.2148511 + C25 H37 N O2 S2 1.2218558 [ C25 H37 N O2 S2, mfg=84.94, overall=84.94 ] (448.23367, 22422.973)(449.23776, 8470.417)(450.23605, 3232.0356)(470.2116, 856.84) 21 447.2256 C25 H37 N O2 S2 + 488.251@1.2163382 1.2163382 (489.25772, 2516.6633) 3 488.251 488.251@1.2163382 + 452.1814@1.2149633 1.2149633 (453.18857, 5956.115)(454.201, 2183.532)(455.18875, 1280.9767) 6 452.1814 452.1814@1.2149633 + 435.2799@1.1954591 1.1954591 (436.29025, 4010.6218)(437.2918, 1908.568)(438.28522, 1870.415) 6 435.2799 435.2799@1.1954591 + 380.182@1.2076792 1.2076792 (381.19006, 6941.721)(382.19012, 3135.37)(398.216, 2638.26)(403.17383, 3237.9001) 6 380.182 380.182@1.2076792 + 236.1778@1.2247223 1.2247223 (237.1844, 8690.923)(238.17975, 2019.54)(254.212, 19158.6) 4 236.1778 236.1778@1.2247223 + 254.1903@1.2260944 1.2260944 (509.3896, 1073.47)(255.19795, 19791.186)(256.19595, 6988.7896)(237.1841, 6593.9336)(238.177, 2247.51) 11 254.1903 254.1903@1.2260944 + 323.2818@1.2431132 1.2431132 (324.28824, 13564.04)(325.2846, 2343.51) 3 323.2818 323.2818@1.2431132 + 292.1666@1.2256525 1.2256525 (602.3679, 887.82)(293.1733, 21473.854)(294.17456, 9861.683) 10 292.1666 292.1666@1.2256525 + 382.1999@1.2014955 1.2014955 (765.4062, 659.26)(383.20633, 15729.817)(384.20654, 6196.8696)(400.2325, 8425.45)(405.1895, 10695.4) 5 382.1999 382.1999@1.2014955 + 845.6451@1.2386981 1.2386981 (846.6505, 1779.89)(847.6541, 1042.766)(848.631, 1232.78) 5 845.6451 845.6451@1.2386981 + 288.1722@1.2325155 1.2325155 (289.1795, 10146.77) 1 288.1722 288.1722@1.2325155 + 706.4711@1.2335148 1.2335148 (707.4783, 1405.54)(708.4786, 927.14) 1 706.4711 706.4711@1.2335148 + 518.3957@1.2201023 1.2201023 (519.40375, 4629.557)(520.3998, 3742.31)(541.3857, 2433.98) 6 518.3957 518.3957@1.2201023 + 634.4797@1.2349703 1.2349703 (635.4847, 4149.4087)(636.48364, 1891.66)(637.4845, 819.93) 6 634.4797 634.4797@1.2349703 + 576.441@1.2355133 1.2355133 (577.4463, 3723.8167)(578.4503, 2429.51) 3 576.441 576.441@1.2355133 + 667.5151@1.2054892 1.2054892 (668.5205, 1980.5176)(669.52094, 1224.345) 4 667.5151 667.5151@1.2054892 + 257.1292@1.2375124 1.2375124 (258.1364, 7804.68) 1 257.1292 257.1292@1.2375124 + 605.9619@1.2391224 1.2391224 (606.9694, 3192.21) 3 605.9619 605.9619@1.2391224 + 721.5446@1.2927662 1.2927662 (722.55035, 2713.1833)(723.55273, 1326.676) 6 721.5446 721.5446@1.2927662 + 518.8985@1.2354769 1.2354769 (519.9055, 2176.875) 2 518.8985 518.8985@1.2354769 + 505.2168@1.2385117 1.2385117 (506.224, 4474.36)(507.2307, 2138.16) 1 505.2168 505.2168@1.2385117 + 576.9417@1.2384948 1.2384948 (577.9484, 2622.98) 3 576.9417 576.9417@1.2384948 + 210.232@1.2395111 1.2395111 (211.2393, 1646.19) 1 210.232 210.232@1.2395111 + 693.0241@1.2456114 1.2456114 (694.0286, 2908.6465)(695.0296, 1277.89) 3 693.0241 693.0241@1.2456114 + 750.433@1.1861504 1.1861504 (751.4357, 1449.9067)(752.445, 770.27) 3 750.433 750.433@1.1861504 + 692.5237@1.2471828 1.2471828 (693.53064, 2902.935)(694.5281, 1499.38)(695.5163, 524.68) 4 692.5237 692.5237@1.2471828 + 373.2819@1.24309 1.24309 (374.28925, 6619.5425)(375.2906, 3735.655) 4 373.2819 373.2819@1.24309 + 713.4591@1.2465067 1.2465067 (714.4664, 966.21)(715.4583, 854.6) 1 713.4591 713.4591@1.2465067 + 312.1929@1.171291 1.171291 (625.3958, 1154.55)(313.19742, 2527.1165)(295.1901, 8403.46)(296.18982, 2507.35)(330.2281, 4628.34) 3 312.1929 312.1929@1.171291 + 351.2406@1.2503922 1.2503922 (352.24774, 8894.7) 2 351.2406 351.2406@1.2503922 + 391.3006@1.255726 1.255726 (392.30624, 13304.41)(393.3099, 4000.8933)(414.283, 2671.9734) 6 391.3006 391.3006@1.255726 + 425.2435@1.188794 1.188794 (426.25058, 8821.994)(427.25378, 2674.7385)(428.2629, 1523.9049)(448.23364, 13355.41)(449.2413, 4978.62) 15 425.2435 425.2435@1.188794 + 750.5648@1.2456427 1.2456427 (751.5682, 1152.8168)(752.5595, 1715.25)(753.5466, 807.11) 3 750.5648 750.5648@1.2456427 + 306.2421@1.2526677 1.2526677 (307.2472, 4677.0146)(329.2337, 4126.15) 4 306.2421 306.2421@1.2526677 + 337.2723@1.2515036 1.2515036 (338.2796, 16393.12)(339.2921, 4199.77)(340.2694, 19254.84) 1 337.2723 337.2723@1.2515036 + 12,13S-epoxy-9Z,11-octadecadienoic acid + 1.2291057 1.2291057 C04594 12,13S-epoxy-9Z,11-octadecadienoic acid [ C18 H30 O3, mfg=45.49, db=56.48, overall=50.98, KEGG ID=C04594, METLIN ID=35870 ] (589.4474, 1326.5024)(606.4681, 2522.8298)(607.4697, 1622.1301)(608.4666, 1405.99)(295.22607, 14822.285)(296.2286, 6179.832)(312.2514, 3680.5913)(317.2113, 4941.855) 16 294.2192 12,13S-epoxy-9Z,11-octadecadienoic acid + 1.2291057 + 384.2496@1.232855 1.232855 (769.5093, 1464.02)(786.532, 946.0334)(385.25485, 11064.401)(386.2557, 12769.02)(387.2574, 5787.04)(367.24637, 14426.875)(368.246, 27300.47)(402.283, 16403.15)(403.2853, 6608.27)(407.24005, 5203.214) 11 384.2496 384.2496@1.232855 + 609.4782@1.2567084 1.2567084 (610.4872, 3458.304)(611.4937, 2131.6067)(612.50183, 1829.105)(613.5071, 120.92)(592.4764, 1084.0)(627.5075, 931.45)(632.4684, 1506.7875) 14 609.4782 609.4782@1.2567084 + 397.2821@1.1558096 1.1558096 (398.29022, 3993.7178)(399.2855, 2196.52)(415.3156, 14128.12)(416.3182, 3701.91) 4 397.2821 397.2821@1.1558096 + 621.3705@1.2545017 1.2545017 (622.3778, 1091.18)(623.3781, 477.62)(624.3844, 1203.63) 1 621.3705 621.3705@1.2545017 + 749.5187@1.2543477 1.2543477 (750.52625, 1142.23) 2 749.5187 749.5187@1.2543477 + C26 H46 Cl O 1.2535336 [ C26 H46 Cl O, mfg=81.08, overall=81.08 ] (410.33383, 12350.359)(411.33423, 4446.376)(412.32913, 5566.4746)(413.3271, 1434.095)(427.3605, 1498.63)(432.3112, 1929.65) 18 409.3296 C26 H46 Cl O + 433.2654@1.2506566 1.2506566 (434.2749, 4517.4233)(435.278, 2588.275)(436.25983, 4245.955)(416.2611, 3887.1602) 3 433.2654 433.2654@1.2506566 + 266.1883@1.2505047 1.2505047 (533.3868, 1671.0)(550.4144, 1573.44)(267.19586, 8236.092)(284.22116, 4747.5474)(285.22015, 2305.31) 5 266.1883 266.1883@1.2505047 + 323.2305@1.2673832 1.2673832 (324.23715, 63665.23)(325.23962, 20738.227)(326.2319, 1337.05)(346.2204, 3060.99) 5 323.2305 323.2305@1.2673832 + C20 H30 N10 O2 1.2535213 [ C20 H30 N10 O2, mfg=47.62, overall=47.62 ] (443.2611, 11347.165)(444.26346, 6195.753)(445.2653, 2690.47)(425.2472, 3108.1602)(460.2903, 1078.76)(465.24454, 1977.7968) 12 442.2541 C20 H30 N10 O2 + 284.162@1.2520821 1.2520821 (569.3304, 748.02)(586.3572, 911.78)(285.16983, 10605.557)(286.1693, 3575.3208)(287.16708, 4423.5264)(302.19592, 6422.874)(303.19345, 3006.888)(307.15356, 2869.575) 14 284.162 284.162@1.2520821 + 217.1688@1.2565898 1.2565898 (218.1742, 7256.375)(219.17514, 2648.095)(240.15945, 11201.21)(241.1513, 1516.53) 2 217.1688 217.1688@1.2565898 + 447.3335@1.2555012 1.2555012 (448.3408, 3997.81)(449.3385, 1738.78) 1 447.3335 447.3335@1.2555012 + 784.5861@1.2559044 1.2559044 (785.5907, 2409.85)(786.6041, 1686.655)(787.606, 1208.73)(802.62195, 1302.365) 2 784.5861 784.5861@1.2559044 + 366.2962@1.2461119 1.2461119 (733.60364, 1420.088)(734.6211, 1025.0668)(735.6245, 2164.52)(736.6285, 1472.75)(367.30142, 6303.0713) 7 366.2962 366.2962@1.2461119 + 463.2922@1.2565005 1.2565005 (464.2995, 5191.23)(465.2977, 2433.64) 1 463.2922 463.2922@1.2565005 + 425.1642@1.2533252 1.2533252 (426.17133, 2921.954)(427.17816, 1394.04) 5 425.1642 425.1642@1.2533252 + 487.3491@1.1990248 1.1990248 (488.35596, 6541.5303)(489.35858, 3298.0527)(490.35547, 2409.375)(505.38068, 2391.325)(510.33765, 1575.1934) 18 487.3491 487.3491@1.1990248 + 521.2102@1.2524651 1.2524651 (522.21875, 1496.62)(523.2264, 1208.56) 2 521.2102 521.2102@1.2524651 + 736.6313@1.2580914 1.2580914 (737.6388, 2694.4438)(738.6418, 2110.9634)(739.6479, 1480.6866)(759.6145, 1753.97)(760.6164, 1100.26)(761.6305, 1096.04) 5 736.6313 736.6313@1.2580914 + 410.2498@1.2574999 1.2574999 (411.2571, 5398.84) 1 410.2498 410.2498@1.2574999 + 309.2497@1.2562547 1.2562547 (619.50116, 2536.755)(620.5054, 1033.42)(310.25693, 4891.37)(311.2593, 2121.87)(312.2486, 1751.66)(332.2403, 2108.52) 3 309.2497 309.2497@1.2562547 + 635.4409@1.2574999 1.2574999 (636.4482, 4550.44)(637.4512, 1942.53)(638.4513, 1388.63) 1 635.4409 635.4409@1.2574999 + 217.1109@1.2572337 1.2572337 (435.2346, 1512.03)(218.1185, 7662.3125)(219.1167, 2019.815) 4 217.1109 217.1109@1.2572337 + 237.2094@1.2579731 1.2579731 (492.4495, 1101.72)(238.21628, 3880.8718)(239.21695, 1928.1399)(255.246, 779.97) 19 237.2094 237.2094@1.2579731 + 779.5375@1.2573975 1.2573975 (780.54645, 3153.7456)(781.56165, 2093.6)(782.56067, 2717.1777)(783.56714, 1332.675)(784.5729, 995.7)(762.53406, 2011.98)(763.5407, 1024.91)(764.5494, 2764.05)(797.5718, 1334.642)(798.578, 870.8025)(799.5863, 1003.85254)(802.52527, 1133.6975)(803.5341, 1260.83)(804.5395, 950.15) 7 779.5375 779.5375@1.2573975 + 319.1295@1.2521014 1.2521014 (320.1358, 3682.25)(337.1664, 2297.81) 2 319.1295 319.1295@1.2521014 + 782.563@1.2580259 1.2580259 (783.56604, 1615.5)(784.5887, 594.64)(800.5846, 586.77) 2 782.563 782.563@1.2580259 + 324.1554@1.1976506 1.1976506 (666.345, 658.79)(325.16278, 4444.6)(326.16425, 1420.035) 2 324.1554 324.1554@1.1976506 + 523.3991@1.2566285 1.2566285 (524.4026, 2633.7834)(506.39453, 6153.9062)(507.39145, 2250.3066)(508.37924, 3166.1897) 3 523.3991 523.3991@1.2566285 + 254.1168@1.2539113 1.2539113 (255.12183, 5969.55)(256.12027, 1683.8826)(237.1135, 3466.9)(272.151, 4194.82)(277.104, 1543.31) 4 254.1168 254.1168@1.2539113 + 142.0994@1.2572091 1.2572091 (285.2046, 3453.25)(143.10683, 6072.618)(144.10248, 1974.3475)(145.09961, 1213.435) 5 142.0994 142.0994@1.2572091 + 180.1513@1.2572386 1.2572386 (181.15953, 5669.3066)(182.15654, 1750.6232)(183.147, 10835.314)(198.1851, 91731.09)(199.188, 12435.45) 3 180.1513 180.1513@1.2572386 + 595.4042@1.2594597 1.2594597 (596.4121, 2241.77)(597.3979, 1183.96)(598.4106, 1073.51) 2 595.4042 595.4042@1.2594597 + 446.3012@1.2618089 1.2618089 (447.30655, 4880.365)(448.3104, 1549.97)(449.2916, 1058.77) 2 446.3012 446.3012@1.2618089 + 261.1947@1.2628677 1.2628677 (545.3803, 1109.33)(262.20053, 2605.3823)(284.1847, 4456.03) 4 261.1947 261.1947@1.2628677 + 513.2208@1.2624967 1.2624967 (514.228, 848.33) 1 513.2208 513.2208@1.2624967 + 224.1412@1.2578942 1.2578942 (449.2881, 1422.2075)(225.14825, 7982.193)(226.14699, 2934.4568)(242.17516, 63970.11)(243.17587, 12110.475)(247.13185, 2793.9968) 17 224.1412 224.1412@1.2578942 + 233.1616@1.2664942 1.2664942 (234.1689, 6597.02) 1 233.1616 233.1616@1.2664942 + 285.2303@1.2704917 1.2704917 (286.2376, 13368.0)(287.24, 3921.33) 1 285.2303 285.2303@1.2704917 + 369.2874@1.1629834 1.1629834 (756.6166, 7328.0)(757.6218, 2917.68)(758.6162, 2029.59)(761.5714, 2098.56)(370.2936, 13992.029)(371.3068, 7465.243)(352.2834, 8031.875)(353.284, 3757.69)(387.3139, 11542.91) 13 369.2874 369.2874@1.1629834 + 408.3703@1.2752274 1.2752274 (409.37637, 2222.914)(410.37756, 1224.6525)(431.35834, 1118.815) 10 408.3703 408.3703@1.2752274 + 149.1203@1.2847481 1.2847481 (321.2297, 1937.76)(150.12744, 8154.0234)(151.1333, 1821.13)(152.1276, 7678.41) 3 149.1203 149.1203@1.2847481 + 454.1828@1.2864815 1.2864815 (455.1901, 2243.95)(456.19, 663.22) 1 454.1828 454.1828@1.2864815 + 185.1417@1.3001328 1.3001328 (186.14886, 13549.112)(187.15059, 1891.5582)(188.1499, 701.05)(208.1331, 2334.54) 10 185.1417 185.1417@1.3001328 + 1276.3431@1.1983222 1.1983222 (1277.3516, 2761.9258)(1278.3507, 2925.2483)(1279.3502, 2175.767)(1280.3503, 1400.25) 7 1276.3431 1276.3431@1.1983222 + 495.1796@1.2994733 1.2994733 (496.1869, 1306.43) 1 495.1796 495.1796@1.2994733 + 558.3192@1.3044701 1.3044701 (559.3265, 1037.7) 1 558.3192 558.3192@1.3044701 + 237.173@1.29761 1.29761 (492.3806, 7009.27)(493.3837, 2344.88)(494.367, 5813.49)(495.3713, 2691.04)(238.17834, 10758.692)(239.18, 3433.3398) 5 237.173 237.173@1.29761 + 198.1622@1.3062236 1.3062236 (414.3566, 611.68)(419.3152, 3255.61)(199.16873, 5262.1562)(181.15855, 7281.375)(182.15625, 2111.13)(216.19595, 237717.25)(217.1993, 32555.941)(218.2019, 3180.04)(221.1531, 1320.89) 5 198.1622 198.1622@1.3062236 + 273.241@1.3064688 1.3064688 (274.2483, 1393.93) 1 273.241 273.241@1.3064688 + C14 H28 Cl N2 1.3031628 [ C14 H28 Cl N2, mfg=71.97, overall=71.97 ] (260.20288, 4679.918)(261.205, 1218.6151)(262.1934, 1972.84)(282.188, 2308.24) 21 259.1955 C14 H28 Cl N2 + 393.2343@1.3094668 1.3094668 (394.2416, 5862.98) 1 393.2343 393.2343@1.3094668 + C29 H55 N O8 + 1.3191072 1.3191072 [ C29 H55 N O8, mfg=96.54, overall=96.54 ] (546.39966, 12572.967)(547.4031, 4125.7095)(548.4057, 1313.9443) 10 545.3924 C29 H55 N O8 + 1.3191072 + Acetylsulfamethoxazole 1.3136238 C13061 Acetylsulfamethoxazole [ C12 H13 N3 O4 S, mfg=57.31, db=57.25, overall=57.28, CAS ID=21312-10-7, KEGG ID=C13061, METLIN ID=69530 ] 21312-10-7 (296.07147, 5106.0005)(297.07434, 1343.0548)(298.07568, 775.7972)(318.0544, 1053.58) 23 295.0644 Acetylsulfamethoxazole + 359.053@1.3022648 1.3022648 (360.06055, 4138.5283)(361.0639, 890.56) 11 359.053 359.053@1.3022648 + 511.1742@1.3194605 1.3194605 (512.1815, 1125.13)(513.1936, 539.77) 1 511.1742 511.1742@1.3194605 + 465.3457@1.2494181 1.2494181 (466.35367, 9491.226)(467.3542, 3022.185)(468.357, 2559.06) 5 465.3457 465.3457@1.2494181 + 142.0996@1.3214593 1.3214593 (143.1069, 5889.18) 1 142.0996 142.0996@1.3214593 + 421.3034@1.3530396 1.3530396 (422.30966, 3399.303)(423.3142, 1501.354)(424.30948, 1344.37) 7 421.3034 421.3034@1.3530396 + 497.3306@1.3294541 1.3294541 (498.3379, 1091.44) 1 497.3306 497.3306@1.3294541 + 498.1643@1.332452 1.332452 (499.1715, 1943.41)(500.1738, 866.94) 1 498.1643 498.1643@1.332452 + 177.0798@1.3417654 1.3417654 (178.08669, 7178.98)(179.08719, 1552.8029)(180.0737, 781.39) 7 177.0798 177.0798@1.3417654 + 521.2122@1.3364495 1.3364495 (522.2195, 1285.88)(523.2317, 890.13) 1 521.2122 521.2122@1.3364495 + 323.2814@1.3361387 1.3361387 (324.288, 1346.5) 3 323.2814 323.2814@1.3361387 + 432.2138@1.349441 1.349441 (433.2211, 3182.24) 1 432.2138 432.2138@1.349441 + 230.1701@1.3274151 1.3274151 (231.17705, 10546.7295)(232.18373, 1921.6526)(233.1755, 1090.69)(213.1658, 12274.28) 5 230.1701 230.1701@1.3274151 + 393.2308@1.3604338 1.3604338 (394.2381, 6651.46)(395.2414, 2230.09) 1 393.2308 393.2308@1.3604338 + 219.1264@1.3774227 1.3774227 (220.1337, 10551.35)(221.1307, 2170.35) 1 219.1264 219.1264@1.3774227 + 395.2462@1.3794214 1.3794214 (396.2534, 1891.29) 1 395.2462 395.2462@1.3794214 + 325.1191@1.3804207 1.3804207 (326.1264, 1730.98) 1 325.1191 325.1191@1.3804207 + 428.1826@1.4075133 1.4075133 (429.18958, 2060.5552)(430.2024, 699.94) 2 428.1826 428.1826@1.4075133 + 305.2208@1.3957257 1.3957257 (306.2279, 2978.065) 2 305.2208 305.2208@1.3957257 + 395.2514@1.420394 1.420394 (396.2587, 1788.3)(397.2571, 809.15) 1 395.2514 395.2514@1.420394 + 538.2988@1.4223926 1.4223926 (539.3053, 1075.87)(556.3347, 601.01) 1 538.2988 538.2988@1.4223926 + C20 H35 N4 S3 1.4329976 [ C20 H35 N4 S3, mfg=78.83, overall=78.83 ] (428.2094, 2851.7422)(429.20978, 891.77185)(430.2089, 772.69) 17 427.2015 C20 H35 N4 S3 + 396.2121@1.4387512 1.4387512 (397.21863, 3147.0752)(398.2222, 1273.45) 2 396.2121 396.2121@1.4387512 + 319.2335@1.451373 1.451373 (320.2407, 1768.87)(321.2531, 857.25) 1 319.2335 319.2335@1.451373 + 183.1258@1.4541595 1.4541595 (184.13309, 37709.805)(185.13379, 5122.9956)(186.1469, 1544.17)(201.1575, 728.04) 5 183.1258 183.1258@1.4541595 + 451.2432@1.4593676 1.4593676 (452.2505, 2620.7)(453.2523, 1924.18) 1 451.2432 451.2432@1.4593676 + 405.3255@1.4623656 1.4623656 (406.335, 925.6)(423.3585, 2085.88) 1 405.3255 405.3255@1.4623656 + 474.2272@1.4823518 1.4823518 (475.2345, 1240.56) 1 474.2272 474.2272@1.4823518 + 380.3009@1.5013386 1.5013386 (783.5946, 732.88)(381.3094, 1210.34)(403.2876, 1027.37) 1 380.3009 380.3009@1.5013386 + 737.5269@1.4839683 1.4839683 (738.5391, 2718.405)(739.53815, 759.05)(755.5599, 2581.77)(756.5633, 1751.24)(760.5149, 6082.26)(761.5179, 3104.55)(762.5186, 1191.29) 4 737.5269 737.5269@1.4839683 + 451.2406@1.529319 1.529319 (452.2479, 2203.01)(453.247, 1439.65) 1 451.2406 451.2406@1.529319 + 187.1724@1.5347666 1.5347666 (188.17989, 1478.1333) 3 187.1724 187.1724@1.5347666 + 216.1477@1.5570194 1.5570194 (450.3277, 620.01)(217.15506, 8703.927)(218.15607, 1441.3317) 7 216.1477 216.1477@1.5570194 + 211.1572@1.5412053 1.5412053 (423.3217, 1097.79)(212.16438, 34530.574)(213.16742, 5543.053) 6 211.1572 211.1572@1.5412053 + 429.3202@1.5533023 1.5533023 (430.3275, 2309.99)(431.3266, 1006.09) 1 429.3202 429.3202@1.5533023 + 198.1367@1.5980171 1.5980171 (199.14452, 5488.643)(200.1379, 1241.93) 3 198.1367 198.1367@1.5980171 + 440.1437@1.5622717 1.5622717 (441.15125, 1442.1625)(442.1545, 839.51) 4 440.1437 440.1437@1.5622717 + 460.1728@1.5752866 1.5752866 (461.18, 1935.72)(462.1833, 1224.52) 1 460.1728 460.1728@1.5752866 + 211.1571@1.5683025 1.5683025 (212.16441, 25741.783)(213.16718, 4028.6223) 4 211.1571 211.1571@1.5683025 + 222.1467@1.5782845 1.5782845 (223.154, 18273.38)(224.1576, 2201.05) 1 222.1467 222.1467@1.5782845 + 397.0327@1.5822793 1.5822793 (398.04095, 1292.96) 2 397.0327 397.0327@1.5822793 + 390.1513@1.5862788 1.5862788 (391.16, 1360.07)(373.1472, 1657.71)(374.1605, 784.44)(375.1376, 929.53) 1 390.1513 390.1513@1.5862788 + 296.1752@1.5872302 1.5872302 (593.3518, 639.75)(297.18222, 8887.24) 12 296.1752 296.1752@1.5872302 + 292.0442@1.5879858 1.5879858 (293.0516, 2918.29)(294.0524, 656.17)(315.03326, 1396.245) 2 292.0442 292.0442@1.5879858 + 556.1162@1.5882773 1.5882773 (557.1235, 1147.87) 1 556.1162 556.1162@1.5882773 + 297.2148@1.5400544 1.5400544 (298.22214, 5212.0947)(299.22137, 2259.5) 4 297.2148 297.2148@1.5400544 + 299.1557@1.5926208 1.5926208 (300.1634, 4762.7373)(301.1646, 1090.23)(302.1665, 738.79) 4 299.1557 299.1557@1.5926208 + 398.1385@1.597271 1.597271 (399.1457, 908.81) 1 398.1385 398.1385@1.597271 + 213.039@1.6196718 1.6196718 (214.0463, 1893.04) 2 213.039 213.039@1.6196718 + 408.3235@1.6178708 1.6178708 (839.636, 1070.0801)(840.6394, 1129.52)(409.33063, 12335.36)(410.33582, 4155.5264)(411.32678, 2112.38)(412.325, 1090.46)(413.3383, 494.43)(431.31216, 4655.604)(432.31448, 2967.4365)(433.3249, 1208.4) 9 408.3235 408.3235@1.6178708 + 256.0444@1.6301256 1.6301256 (535.0795, 630.2)(257.05182, 5096.508)(258.0552, 843.78)(279.0336, 11760.28)(280.0365, 1047.28) 4 256.0444 256.0444@1.6301256 + 265.0523@1.6324719 1.6324719 (266.05975, 3290.6497)(267.0632, 1313.55)(288.0415, 1245.05) 3 265.0523 265.0523@1.6324719 + 466.3764@1.617959 1.617959 (467.38458, 1781.565)(468.3859, 985.0) 2 466.3764 466.3764@1.617959 + 278.0264@1.6362083 1.6362083 (279.03354, 10629.447)(280.03683, 1207.7725)(301.0153, 3829.85) 4 278.0264 278.0264@1.6362083 + 393.2226@1.6043863 1.6043863 (394.23474, 1787.63)(395.2404, 617.175) 2 393.2226 393.2226@1.6043863 + 759.5071@1.5940096 1.5940096 (760.51434, 4106.3623)(761.5173, 2097.54)(762.5201, 908.11005) 14 759.5071 759.5071@1.5940096 + C11 H14 Cl2 N2 O2 S 1.65793 [ C11 H14 Cl2 N2 O2 S, mfg=47.62, overall=47.62 ] (309.02255, 1744.4652) 11 308.0152 C11 H14 Cl2 N2 O2 S + 733.569@1.691192 1.691192 (734.5758, 1625.4)(735.5768, 763.78) 2 733.569 733.569@1.691192 + C10 H19 N8 O 1.6935129 [ C10 H19 N8 O, mfg=79.88, overall=79.88 ] (268.17548, 12627.217)(269.17798, 2463.8906) 20 267.1684 C10 H19 N8 O + 278.0253@1.7071906 1.7071906 (279.0326, 1816.93) 1 278.0253 278.0253@1.7071906 + 300.1114@1.7172612 1.7172612 (301.11914, 5312.045)(302.11716, 1812.8032)(303.11462, 964.46) 6 300.1114 300.1114@1.7172612 + 192.082@1.7382267 1.7382267 (407.1534, 1431.4651)(193.09094, 6568.64)(210.1156, 23618.84) 2 192.082 192.082@1.7382267 + C19 H16 N3 O2 1.714009 [ C19 H16 N3 O2, mfg=65.64, overall=65.64 ] (319.1303, 3590.5178)(320.13434, 1302.7727)(321.13446, 762.22424)(301.12012, 2405.8657)(302.11777, 923.7025)(303.1102, 587.96)(341.11465, 1885.28)(342.1137, 901.75) 21 318.1225 C19 H16 N3 O2 + 431.2184@1.7171832 1.7171832 (432.2257, 1379.68) 1 431.2184 431.2184@1.7171832 + 267.1119@1.7224344 1.7224344 (268.11972, 5770.3184)(269.1328, 1395.71) 6 267.1119 267.1119@1.7224344 + 600.4643@1.7899272 1.7899272 (601.47125, 2411.3901)(602.4703, 881.76) 4 600.4643 600.4643@1.7899272 + 172.1211@1.7329632 1.7329632 (173.12857, 8147.6196)(174.13249, 1587.5414) 10 172.1211 172.1211@1.7329632 + 129.115@1.7326832 1.7326832 (130.12238, 8719.556)(131.12498, 895.9567) 10 129.115 129.115@1.7326832 + 216.1476@1.7399765 1.7399765 (217.15506, 9000.314)(218.15887, 1744.515) 8 216.1476 216.1476@1.7399765 + 264.0618@1.7608184 1.7608184 (265.06915, 1977.085) 2 264.0618 264.0618@1.7608184 + 341.2406@1.7961239 1.7961239 (342.2479, 7217.22) 1 341.2406 341.2406@1.7961239 + 760.5114@1.7948099 1.7948099 (761.51715, 1905.9132)(762.5182, 916.0) 3 760.5114 760.5114@1.7948099 + 184.0486@1.8356975 1.8356975 (185.05533, 5851.87)(186.0575, 1104.65)(207.03802, 4809.87) 4 184.0486 184.0486@1.8356975 + 358.1066@1.8544077 1.8544077 (359.11444, 6803.123)(360.1179, 2038.43)(361.1223, 663.1)(376.1443, 1034.25) 4 358.1066 358.1066@1.8544077 + 264.0989@1.8510817 1.8510817 (529.205, 1272.69)(265.1062, 4166.74) 1 264.0989 264.0989@1.8510817 + C6 H7 Cl N4 S 1.8839531 [ C6 H7 Cl N4 S, mfg=47.46, overall=47.46 ] (203.01509, 2743.4824) 25 202.0079 C6 H7 Cl N4 S + 386.1777@1.8680686 1.8680686 (387.185, 1360.1) 1 386.1777 386.1777@1.8680686 + 990.4922@1.8701266 1.8701266 (991.49927, 2342.1301)(992.5022, 1554.8676)(993.50275, 1119.6216) 12 990.4922 990.4922@1.8701266 + 586.2976@1.8836082 1.8836082 (587.30505, 2558.204)(588.30884, 962.57996) 5 586.2976 586.2976@1.8836082 + 597.4245@1.8803093 1.8803093 (598.43146, 2104.43)(599.4336, 1019.0) 2 597.4245 597.4245@1.8803093 + C3 H5 N3 O2 1.878506 [ C3 H5 N3 O2, mfg=86.85, overall=86.85 ] (231.0828, 887.19)(116.04543, 35163.543)(117.048706, 1634.0283) 19 115.0381 C3 H5 N3 O2 + 341.241@1.8561139 1.8561139 (342.24826, 34644.844)(343.25174, 6337.172)(344.2506, 1728.6832)(364.2286, 932.31) 6 341.241 341.241@1.8561139 + 661.2535@1.8924569 1.8924569 (662.26117, 5247.9814)(663.26373, 2423.642)(664.26465, 1070.735) 9 661.2535 661.2535@1.8924569 + 200.0669@1.8906714 1.8906714 (201.07457, 5847.8667)(202.08318, 757.7767) 3 200.0669 200.0669@1.8906714 + 372.2664@2.0003479 2.0003479 (373.2728, 4506.9375)(374.27762, 1645.57)(355.2637, 2877.5898)(356.2669, 794.53) 4 372.2664 372.2664@2.0003479 + 238.0585@1.906039 1.906039 (239.0658, 1406.4) 1 238.0585 238.0585@1.906039 + Dihydrocortisol 1.9058994 C05471 Dihydrocortisol [ C21 H32 O5, mfg=61.73, db=61.62, overall=61.67, CAS ID=1482-50-4, KEGG ID=C05471, HMP ID=HMDB03259, METLIN ID=3173 ] 1482-50-4 (365.2319, 2845.0344)(366.2343, 1113.99) 7 364.2241 Dihydrocortisol HMDB03259 + 288.1764@1.9128132 1.9128132 (289.18338, 5410.207)(290.18732, 1303.3335)(291.18698, 809.60333)(311.16525, 2821.5452)(312.1724, 1056.24) 12 288.1764 288.1764@1.9128132 + 298.1028@1.929021 1.929021 (299.1101, 5229.22)(300.1131, 1066.7)(301.1186, 8233.84) 1 298.1028 298.1028@1.929021 + C17 H22 N2 S2 + 2.0322366 2.0322366 [ C17 H22 N2 S2, mfg=73.26, overall=73.26 ] (319.1298, 3477.7031)(320.13287, 1116.2408)(321.1329, 628.98)(301.119, 5046.4043)(302.11243, 2055.1633)(303.1131, 755.78)(341.11227, 1895.3132)(342.11484, 768.38) 16 318.1226 C17 H22 N2 S2 + 2.0322366 + 214.1317@2.0295475 2.0295475 (215.13896, 9893.1)(216.13957, 2156.7417)(197.12834, 2587.09) 7 214.1317 214.1317@2.0295475 + 301.0986@2.0199814 2.0199814 (302.10706, 2110.54)(303.10968, 849.39197)(319.13086, 7632.83)(320.134, 1582.0549) 8 301.0986 301.0986@2.0199814 + 426.3162@1.9720628 1.9720628 (427.32416, 2377.165)(428.32983, 1130.7) 2 426.3162 426.3162@1.9720628 + 115.063@2.0711956 2.0711956 (116.07034, 14145.676)(117.0727, 1446.75) 2 115.063 115.063@2.0711956 + 228.0507@2.0868952 2.0868952 (229.0578, 1256.08)(211.0475, 2163.09) 1 228.0507 228.0507@2.0868952 + 362.2121@2.1158717 2.1158717 (363.2193, 6724.41)(385.2015, 1686.31)(386.2059, 713.45) 1 362.2121 362.2121@2.1158717 + 701.5285@2.1478593 2.1478593 (702.5359, 6400.238)(703.5393, 2812.4087)(704.5407, 927.79407) 9 701.5285 701.5285@2.1478593 + 805.1914@2.1458473 2.1458473 (806.1987, 1364.18) 1 805.1914 805.1914@2.1458473 + 633.1369@2.1788619 2.1788619 (634.1438, 5388.125) 4 633.1369 633.1369@2.1788619 + 479.1997@2.1468465 2.1468465 (480.207, 1432.18)(481.2084, 938.85) 1 479.1997 479.1997@2.1468465 + 357.1095@2.1492362 2.1492362 (358.11584, 2706.905) 2 357.1095 357.1095@2.1492362 + 479.0917@2.147974 2.147974 (480.09885, 1152.61)(462.08887, 5957.25) 2 479.0917 479.0917@2.147974 + 694.2275@2.1504285 2.1504285 (695.2349, 4501.9453)(696.24036, 1350.4076) 4 694.2275 694.2275@2.1504285 + 506.0861@2.1528327 2.1528327 (507.09335, 1907.0459) 5 506.0861 506.0861@2.1528327 + 525.2039@2.155204 2.155204 (526.2111, 6864.9624)(527.21344, 1589.3226)(528.2187, 1449.28) 4 525.2039 525.2039@2.155204 + 628.1811@2.1529698 2.1529698 (1279.3499, 773.97)(629.188, 7522.955) 2 628.1811 628.1811@2.1529698 + 401.1151@2.166217 2.166217 (402.12216, 1489.0751)(384.11166, 3403.9934) 10 401.1151 401.1151@2.166217 + 480.0895@2.160271 2.160271 (481.09683, 1592.136)(463.08615, 8561.878)(464.08884, 1888.5399)(465.08832, 1039.184) 13 480.0895 480.0895@2.160271 + 229.0605@2.1528416 2.1528416 (230.0677, 1371.55) 1 229.0605 229.0605@2.1528416 + 574.1675@2.1528416 2.1528416 (575.1748, 1268.48) 1 574.1675 574.1675@2.1528416 + 457.2194@2.1528416 2.1528416 (458.2267, 1443.97)(459.2241, 554.97) 1 457.2194 457.2194@2.1528416 + 283.2143@2.1559036 2.1559036 (284.22177, 4273.1064)(285.2251, 1210.4933)(306.1994, 946.94) 3 283.2143 283.2143@2.1559036 + 673.1865@2.1548398 2.1548398 (674.1937, 2125.62) 1 673.1865 673.1865@2.1548398 + 543.2139@2.156128 2.156128 (544.22174, 3264.0535)(545.2281, 953.98) 3 543.2139 543.2139@2.156128 + C36 H68 Cl N13 2.1497967 [ C36 H68 Cl N13, mfg=79.44, overall=79.44 ] (718.54407, 2719.155)(719.5462, 1456.8196)(720.55536, 1215.5615)(721.56055, 295.245) 16 717.5368 C36 H68 Cl N13 + 569.2121@2.159848 2.159848 (570.21924, 3236.6519)(571.2226, 1160.96)(552.20654, 1982.495) 5 569.2121 569.2121@2.159848 + 190.065@2.157993 2.157993 (398.16348, 13995.481)(399.16733, 2847.9724)(400.1698, 1130.01)(403.11942, 2979.0818)(404.12784, 833.7067)(191.07332, 4637.5186)(192.0737, 1408.67)(173.06314, 1525.265)(208.0987, 5205.83)(209.0942, 1533.63)(213.0538, 1601.15) 6 190.065 190.065@2.157993 + 302.083@2.1611826 2.1611826 (627.1553, 1363.2)(303.0911, 1159.63)(285.07977, 9349.528) 7 302.083 302.083@2.1611826 + 595.2063@2.1578374 2.1578374 (596.2136, 960.91) 1 595.2063 595.2063@2.1578374 + 379.1455@2.1593838 2.1593838 (380.15283, 27757.332)(381.15686, 5077.4077)(382.1566, 1304.2024) 5 379.1455 379.1455@2.1593838 + 306.1472@2.1624017 2.1624017 (307.15454, 3450.0176)(329.1411, 812.86) 9 306.1472 306.1472@2.1624017 + 646.1926@2.1581266 2.1581266 (647.19867, 1516.6733) 3 646.1926 646.1926@2.1581266 + 325.1544@2.1632214 2.1632214 (326.1627, 2206.49)(308.151, 12365.84)(309.1536, 2512.49)(310.1541, 627.1) 2 325.1544 325.1544@2.1632214 + Loxoprofen Metabolite (b-D-Glucopyranuronic acid, 1-[a-methyl-4-[(2-oxocyclopentyl)methyl]benzeneace 2.1652963 Loxoprofen Metabolite (b-D-Glucopyranuronic acid, 1-[a-methyl-4-[(2-oxocyclopentyl)methyl]benzeneace [ C21 H26 O9, mfg=44.17, db=44.16, overall=44.16, CAS ID=88378-23-8, METLIN ID=1044 ] 88378-23-8 (423.16376, 3098.84)(405.1515, 953.0) 10 422.1563 Loxoprofen Metabolite (b-D-Glucopyranuronic acid, 1-[a-methyl-4-[(2-oxocyclopentyl)methyl]benzeneace + 373.083@2.1664052 2.1664052 (374.09134, 1498.7681)(375.09064, 856.765)(356.0792, 988.12) 5 373.083 373.083@2.1664052 + 449.1439@2.1618342 2.1618342 (450.1511, 1406.84) 1 449.1439 449.1439@2.1618342 + 351.1506@2.1666262 2.1666262 (352.15796, 1981.152) 5 351.1506 351.1506@2.1666262 + 295.1061@2.1757085 2.1757085 (296.1135, 2339.3455)(297.1182, 657.26)(278.1024, 1882.7067) 9 295.1061 295.1061@2.1757085 + 310.055@2.1797593 2.1797593 (311.0622, 1831.925)(328.08945, 1698.505)(333.0442, 829.14) 2 310.055 310.055@2.1797593 + 701.5285@2.1662474 2.1662474 (702.5362, 6092.4966)(703.5395, 2728.6233)(704.5404, 767.43005) 3 701.5285 701.5285@2.1662474 + 332.8832@2.2107937 2.2107937 (333.8904, 766.61) 1 332.8832 332.8832@2.2107937 + 318.1213@2.2207856 2.2207856 (319.1286, 3575.97) 1 318.1213 318.1213@2.2207856 + 318.1213@2.2450945 2.2450945 (319.1292, 3178.448)(320.13443, 801.535)(301.1193, 3246.25)(302.1132, 1203.54) 5 318.1213 318.1213@2.2450945 + 770.5474@2.3086448 2.3086448 (771.5558, 1901.945)(772.5603, 988.46497)(773.5564, 592.2) 2 770.5474 770.5474@2.3086448 + 141.9919@2.454268 2.454268 (142.9992, 1858.71) 2 141.9919 141.9919@2.454268 + 113.0494@2.567702 2.567702 (114.05548, 8700.177)(115.05617, 897.74243)(116.0474, 803.84)(136.03918, 16397.693)(137.04332, 1584.3966) 7 113.0494 113.0494@2.567702 + 296.111@2.679624 2.679624 (297.11823, 12971.109)(298.11993, 2822.49) 2 296.111 296.111@2.679624 + 188.1308@2.681397 2.681397 (189.1381, 2607.89)(190.1402, 874.11) 1 188.1308 188.1308@2.681397 + C48 H70 Cl N4 O 2.7411122 [ C48 H70 Cl N4 O, mfg=71.97, overall=71.97 ] (754.52856, 3140.3772)(755.5317, 1946.79)(756.5318, 1736.18)(736.51874, 4000.619)(737.5227, 1950.8362)(738.5247, 1737.2)(771.55475, 6605.4785)(772.5593, 3231.421)(773.56006, 1648.58)(774.5656, 911.4)(776.5091, 2948.8333)(777.50995, 1994.2001)(778.5143, 1288.87) 11 753.5208 C48 H70 Cl N4 O + 497.281@2.7416618 2.7416618 (498.28824, 4570.4307)(499.30255, 1864.5199)(500.30084, 1111.2151)(480.27887, 3863.195)(481.28165, 1426.89)(515.31433, 4667.5024)(516.3177, 1719.88)(517.3156, 867.52)(520.2702, 1281.07) 10 497.281 497.281@2.7416618 + 138.0431@2.7673235 2.7673235 (139.0504, 273286.06)(140.0537, 20551.95) 1 138.0431 138.0431@2.7673235 + 775.4987@2.7713199 2.7713199 (776.5059, 1985.92)(777.5093, 1357.14) 1 775.4987 775.4987@2.7713199 + 84.057@2.7753165 2.7753165 (85.0643, 1165.13) 1 84.057 84.057@2.7753165 + C26 H13 2.76933 [ C26 H13, mfg=67.83, overall=33.91 ] (326.11023, 2453.3865)(327.11328, 934.23755) 11 325.1034 C26 H13 + 126.0315@2.778583 2.778583 (127.0388, 26734.262)(128.04198, 2268.536)(129.03712, 930.94)(109.028366, 10513.132)(110.033226, 1061.896)(144.06555, 3271.725) 5 126.0315 126.0315@2.778583 + 241.0972@2.7745724 2.7745724 (242.10452, 39401.27)(243.10886, 3858.64)(244.111, 1171.53)(224.09396, 17662.9)(225.09972, 1851.09)(226.1006, 845.94) 5 241.0972 241.0972@2.7745724 + 202.0456@2.7927597 2.7927597 (203.0529, 204654.52)(204.05638, 14923.984)(205.05817, 3907.5664)(220.0821, 1010.65) 6 202.0456 202.0456@2.7927597 + 246.053@2.8152418 2.8152418 (247.06004, 13151.202)(248.06375, 1300.446) 6 246.053 246.053@2.8152418 + 140.028@2.7757397 2.7757397 (141.03589, 3028.7634) 3 140.028 140.028@2.7757397 + 332.0914@2.7851295 2.7851295 (333.0993, 2185.7761)(334.1026, 723.23)(315.08972, 2398.315)(316.0899, 759.57) 5 332.0914 332.0914@2.7851295 + 759.2122@2.8581238 2.8581238 (760.21906, 5173.9824)(761.22144, 2030.9324) 4 759.2122 759.2122@2.8581238 + 431.0251@2.8391035 2.8391035 (432.0325, 3291.5486)(433.03534, 946.954)(449.05933, 718.7234) 6 431.0251 431.0251@2.8391035 + 335.0065@2.7712145 2.7712145 (336.01395, 2684.655)(337.01532, 754.54504) 2 335.0065 335.0065@2.7712145 + 489.1133@2.732093 2.732093 (490.12036, 5771.2266)(491.12357, 1589.0634)(492.1313, 746.57) 3 489.1133 489.1133@2.732093 + 387.1439@2.8181195 2.8181195 (388.1513, 4345.875)(389.1538, 827.99) 2 387.1439 387.1439@2.8181195 + 514.3073@2.8043046 2.8043046 (515.31464, 10091.686)(516.318, 3233.2)(517.3186, 1611.3401) 5 514.3073 514.3073@2.8043046 + 488.1134@2.7367487 2.7367487 (489.1227, 4970.8335) 3 488.1134 488.1134@2.7367487 + 377.036@2.8242745 2.8242745 (378.0433, 1721.43) 1 377.036 377.036@2.8242745 + 218.0195@2.8138137 2.8138137 (219.02689, 4201.7646) 2 218.0195 218.0195@2.8138137 + 371.0012@2.8242745 2.8242745 (372.0085, 755.38) 1 371.0012 371.0012@2.8242745 + 519.2632@2.8148797 2.8148797 (520.27, 2419.8633)(521.27356, 950.8767)(542.2526, 743.25) 3 519.2632 519.2632@2.8148797 + 85.0247@2.8735046 2.8735046 (86.03186, 1860.9) 6 85.0247 85.0247@2.8735046 + 597.093@2.8357556 2.8357556 (598.1005, 2893.7932)(599.10284, 1084.234)(600.0865, 748.48)(620.0824, 1287.6575)(621.0858, 666.36) 6 597.093 597.093@2.8357556 + 335.0065@2.8847277 2.8847277 (336.01395, 2920.4849)(337.01532, 998.365) 2 335.0065 335.0065@2.8847277 + 578.1448@2.8343806 2.8343806 (579.15204, 5954.3086)(580.15643, 1290.35)(581.16895, 679.865) 8 578.1448 578.1448@2.8343806 + 406.0682@2.7819195 2.7819195 (407.07556, 3352.392)(408.0687, 1091.74) 5 406.0682 406.0682@2.7819195 + 403.1498@2.798961 2.798961 (404.15677, 13841.48)(405.16052, 2322.0918)(406.16434, 1052.075) 6 403.1498 403.1498@2.798961 + 391.0982@2.8456042 2.8456042 (392.10556, 11916.397)(393.10812, 2994.18) 3 391.0982 391.0982@2.8456042 + 760.2132@2.8772411 2.8772411 (761.2208, 1940.084)(762.2304, 696.0234) 5 760.2132 760.2132@2.8772411 + 218.0193@2.8652396 2.8652396 (219.0266, 4009.32)(220.0299, 575.82) 1 218.0193 218.0193@2.8652396 + 170.0075@2.885485 2.885485 (171.01445, 1254.9266) 3 170.0075 170.0075@2.885485 + 321.9927@2.9408822 2.9408822 (323.0, 1320.64) 2 321.9927 321.9927@2.9408822 + 410.1389@2.8963926 2.8963926 (411.1449, 1343.12) 2 410.1389 410.1389@2.8963926 + 496.2678@2.9141977 2.9141977 (497.2751, 5848.32) 1 496.2678 496.2678@2.9141977 + 532.3042@2.9311833 2.9311833 (533.3115, 1584.07)(534.3103, 614.73) 1 532.3042 532.3042@2.9311833 + 146.0694@2.9489243 2.9489243 (293.1488, 580.22)(147.07663, 9943.768)(148.07777, 996.83)(149.071, 479.93)(129.0654, 1359.07)(169.06, 1433.88) 14 146.0694 146.0694@2.9489243 + 513.2757@2.9592097 2.9592097 (1027.5573, 1596.57)(1028.559, 1144.55)(1029.5602, 579.63)(514.2834, 4928.135)(515.28735, 1907.8701)(496.27255, 12483.0625)(497.27612, 3697.3035)(498.27716, 1656.1799)(531.3095, 8794.53)(532.3138, 2849.9697)(533.3118, 1224.63)(536.26495, 5930.0503)(537.269, 1013.04) 8 513.2757 513.2757@2.9592097 + 440.0665@2.9441721 2.9441721 (441.0738, 1103.78) 1 440.0665 440.0665@2.9441721 + 495.2652@2.9577444 2.9577444 (496.27286, 15664.727)(497.276, 5131.42)(498.2793, 3525.838)(499.2822, 1078.07)(513.2993, 2745.27)(518.25555, 1647.4199)(519.2556, 803.23) 12 495.2652 495.2652@2.9577444 + 597.0931@2.945992 2.945992 (598.1002, 2285.3486)(599.10284, 904.37286)(620.083, 1480.08) 8 597.0931 597.0931@2.945992 + 199.0948@2.9511662 2.9511662 (200.1021, 10773.44)(201.1033, 1976.43) 1 199.0948 199.0948@2.9511662 + 386.1429@2.9097815 2.9097815 (387.15005, 14287.02)(388.1517, 3953.7126)(389.1574, 954.35) 4 386.1429 386.1429@2.9097815 + 335.0067@2.9635086 2.9635086 (336.01382, 3421.5425)(337.01547, 948.3956) 9 335.0067 335.0067@2.9635086 + 596.1546@2.963771 2.963771 (597.1619, 2120.8127)(598.16595, 855.6534)(579.15155, 5650.685)(580.15515, 1259.48)(614.1829, 648.28) 11 596.1546 596.1546@2.963771 + 557.2397@2.9783444 2.9783444 (558.24695, 3334.9202)(559.24866, 1493.3899)(560.2492, 889.4) 2 557.2397 557.2397@2.9783444 + 292.0515@2.9631557 2.9631557 (293.0588, 1410.6) 1 292.0515 292.0515@2.9631557 + 5,7,2''-Trihydroxy-3,6,4'',5''-tetramethoxyflavone 2.966713 5,7,2''-Trihydroxy-3,6,4'',5''-tetramethoxyflavone [ C19 H18 O9, mfg=88.96, db=88.96, overall=88.96, Lipid ID=LMPK12113056, METLIN ID=51468 ] (781.1959, 687.4)(391.10193, 66371.54)(392.1054, 9166.055)(393.1086, 2556.657)(394.11395, 200.375)(413.0829, 788.715) 18 390.0947 5,7,2''-Trihydroxy-3,6,4'',5''-tetramethoxyflavone + LMPK12113056 494.0689@3.0536194 3.0536194 (495.07596, 12510.676)(496.07864, 3244.9048)(497.0787, 1274.56) 2 494.0689 494.0689@3.0536194 + 682.1187@3.0666895 3.0666895 (683.1262, 4150.53)(684.12885, 1206.1901)(685.1316, 648.15) 2 682.1187 682.1187@3.0666895 + 487.1161@3.0133166 3.0133166 (488.12256, 1623.875)(489.1226, 1032.38) 8 487.1161 487.1161@3.0133166 + 531.3057@3.0316408 3.0316408 (532.31323, 2558.9636)(533.3097, 1162.38)(534.3153, 663.94) 3 531.3057 531.3057@3.0316408 + 496.2704@3.0350947 3.0350947 (497.2776, 1388.07)(498.2828, 640.79) 1 496.2704 496.2704@3.0350947 + 535.2575@3.0150816 3.0150816 (1071.5208, 2351.77)(1072.5245, 1480.9)(1093.5029, 582.36)(1094.5026, 664.7)(536.2652, 11572.849)(537.26776, 3615.283)(538.2671, 3178.325)(539.26794, 409.20502)(558.247, 2713.222)(559.2495, 1830.6599)(560.2499, 837.39) 7 535.2575 535.2575@3.0150816 + 246.0974@3.075503 3.075503 (247.1049, 4846.413)(248.1072, 969.2867)(249.1093, 200.6)(229.095, 2457.04)(230.1019, 887.12) 7 246.0974 246.0974@3.075503 + 96.0326@3.0589657 3.0589657 (193.07262, 3216.7673)(194.08235, 598.70496)(195.0765, 1031.25)(97.039734, 16250.157)(98.0415, 1000.0062) 8 96.0326 96.0326@3.0589657 + 199.1209@3.0706604 3.0706604 (200.12817, 6766.393)(201.12805, 1164.865) 3 199.1209 199.1209@3.0706604 + 292.0972@3.1542716 3.1542716 (293.104, 2462.952)(310.1347, 1014.88) 5 292.0972 292.0972@3.1542716 + 256.0674@3.1539278 3.1539278 (257.0748, 5999.113)(258.07788, 1081.21) 4 256.0674 256.0674@3.1539278 + 75.0318@3.2594168 3.2594168 (76.03913, 4267.0645) 11 75.0318 75.0318@3.2594168 + 210.0515@3.2678988 3.2678988 (211.0588, 1964.03)(212.0711, 637.06) 1 210.0515 210.0515@3.2678988 + 463.2767@3.3118622 3.3118622 (464.284, 3047.04) 1 463.2767 463.2767@3.3118622 + 463.2751@3.3341246 3.3341246 (464.28284, 4821.88)(465.28577, 1721.1034)(466.2852, 1029.29) 3 463.2751 463.2751@3.3341246 + 237.0377@3.3357239 3.3357239 (238.04439, 2016.5502) 3 237.0377 237.0377@3.3357239 + 514.3072@3.3728123 3.3728123 (515.3145, 2560.46) 1 514.3072 514.3072@3.3728123 + 514.3073@3.4039621 3.4039621 (515.31476, 7243.742)(516.3185, 2658.724)(517.31995, 1007.81) 6 514.3073 514.3073@3.4039621 + 343.2204@3.4355772 3.4355772 (344.2277, 105826.29)(345.23096, 17018.0)(346.23334, 3671.7102)(347.23425, 476.47665) 6 343.2204 343.2204@3.4355772 + 302.9747@3.4815469 3.4815469 (303.98193, 1319.0349) 2 302.9747 302.9747@3.4815469 + 243.0721@3.4934762 3.4934762 (244.0794, 4862.7134)(245.08789, 1154.105) 3 243.0721 243.0721@3.4934762 + 399.9969@3.4877188 3.4877188 (401.0042, 822.61) 1 399.9969 399.9969@3.4877188 + 203.0806@3.4987264 3.4987264 (204.08716, 6545.9194)(205.09172, 829.27704)(206.08801, 907.305)(186.07634, 2968.0898) 7 203.0806 203.0806@3.4987264 + 151.051@3.512001 3.512001 (152.0572, 10229.925) 2 151.051 151.051@3.512001 + 516.3229@3.5321364 3.5321364 (517.3301, 4588.7173)(518.33563, 1906.1333)(519.3329, 1024.15) 4 516.3229 516.3229@3.5321364 + 176.0173@3.5737677 3.5737677 (177.02455, 4791.85) 24 176.0173 176.0173@3.5737677 + 481.2862@3.581644 3.581644 (482.2935, 11415.95)(483.2966, 3579.19) 1 481.2862 481.2862@3.581644 + 631.3498@3.5926042 3.5926042 (632.3578, 5351.89)(633.36115, 1928.72)(634.3611, 1459.49)(654.33826, 2010.2051)(655.34033, 1010.34503) 4 631.3498 631.3498@3.5926042 + 72.0329@3.5886385 3.5886385 (145.074, 702.15)(73.04, 3217.0) 1 72.0329 72.0329@3.5886385 + 499.2967@3.6025865 3.6025865 (999.60077, 2408.375)(1000.6031, 1279.76)(1021.5817, 1657.8232)(1022.5862, 1057.76)(500.30475, 6503.116)(501.30786, 2248.113)(502.3063, 1092.3033)(482.2933, 14372.62)(483.2966, 5231.02)(484.2989, 1713.53)(517.32996, 15385.572)(518.3341, 4742.2476)(519.334, 1370.565)(522.2856, 17052.023)(523.2889, 6662.605)(524.2897, 1777.84) 7 499.2967 499.2967@3.6025865 + 543.2605@3.6020916 3.6020916 (544.2673, 5739.237)(545.2731, 1878.75) 3 543.2605 543.2605@3.6020916 + 483.2895@3.6112041 3.6112041 (484.29596, 1382.4651)(485.3015, 795.57) 2 483.2895 483.2895@3.6112041 + 1020.5749@3.604626 3.604626 (1021.5822, 1691.62)(1022.5875, 1012.67) 1 1020.5749 1020.5749@3.604626 + 998.5927@3.6285472 3.6285472 (999.6001, 4202.9424)(1000.60376, 2403.3333)(1001.60315, 1702.77)(1002.6057, 579.52)(1021.5819, 4866.085)(1022.58484, 2926.855)(1023.5869, 1361.06)(1024.6058, 351.39) 4 998.5927 998.5927@3.6285472 + 481.2857@3.6136506 3.6136506 (482.29346, 7221.2944)(483.29697, 3938.2083)(484.29614, 1900.6333)(464.2828, 15308.505)(465.28598, 4749.6265)(466.28525, 2535.334)(467.28687, 850.255) 12 481.2857 481.2857@3.6136506 + 543.2604@3.6555696 3.6555696 (544.26746, 3701.936)(545.2715, 1355.3251)(546.269, 818.6) 5 543.2604 543.2604@3.6555696 + 499.298@3.6683235 3.6683235 (1021.5817, 3953.08)(1022.5857, 1948.91)(1023.5867, 1162.62)(500.3057, 11331.173)(501.30728, 3537.9575)(502.30722, 1545.6835)(482.2942, 1756.07)(483.2979, 927.87)(522.2855, 3245.855)(523.2888, 987.24) 8 499.298 499.298@3.6683235 + 522.2809@3.6524754 3.6524754 (523.2886, 2844.0352)(524.29016, 1202.3049) 2 522.2809 522.2809@3.6524754 + C26 H43 N O5 S 3.6837265 [ C26 H43 N O5 S, mfg=95.45, overall=95.45 ] (482.29346, 5373.72)(483.29758, 2309.4136)(484.29575, 1688.885)(464.28238, 15476.328)(465.28564, 4487.06)(466.2836, 2027.245) 10 481.2859 C26 H43 N O5 S + 514.3073@3.6694381 3.6694381 (515.31506, 2760.4539)(516.32104, 1426.3301) 5 514.3073 514.3073@3.6694381 + C26 H41 N O4 S 3.6733472 [ C26 H41 N O4 S, mfg=78.01, overall=78.01 ] (464.28287, 11709.426)(465.28635, 3959.7148)(466.28662, 2267.81)(467.2855, 1501.13) 13 463.2752 C26 H41 N O4 S + 271.178@3.7340772 3.7340772 (272.18564, 8723.024)(273.18796, 1901.4434)(274.1884, 957.98)(294.1654, 5863.74)(295.171, 1988.44) 6 271.178 271.178@3.7340772 + 408.2121@3.7601023 3.7601023 (817.4316, 1247.51)(839.4144, 1076.015)(840.4181, 938.34)(409.21924, 2124.4885)(410.2263, 1204.76)(431.20126, 5951.4077)(432.20645, 1444.1934) 6 408.2121 408.2121@3.7601023 + 442.2461@3.7701948 3.7701948 (443.25385, 2105.8713)(444.26007, 727.125) 7 442.2461 442.2461@3.7701948 + 301.1076@3.7857137 3.7857137 (302.11578, 1411.7101) 4 301.1076 301.1076@3.7857137 + 530.3021@3.833149 3.833149 (531.30945, 8048.0615)(532.3126, 2844.604)(533.3157, 1153.525) 5 530.3021 530.3021@3.833149 + 557.24@3.833646 3.833646 (558.24695, 4311.4272)(559.2505, 1446.81)(560.2521, 865.22) 4 557.24 557.24@3.833646 + 513.2759@3.838125 3.838125 (1027.5594, 1728.97)(1028.5641, 1003.21)(1049.5405, 1674.41)(1050.543, 1261.95)(514.2834, 6862.5312)(515.2874, 2565.6067)(516.28784, 1650.845)(496.27454, 1573.715)(531.3093, 17214.81)(532.3124, 5346.9297)(533.31946, 2435.1)(534.3185, 1103.09)(536.26483, 7032.698)(537.26874, 2573.76)(538.2739, 1313.145) 7 513.2759 513.2759@3.838125 + 220.0387@3.867453 3.867453 (221.0462, 1985.165) 2 220.0387 220.0387@3.867453 + 678.2007@3.8893707 3.8893707 (679.20844, 2673.166)(680.2112, 1367.6725) 5 678.2007 678.2007@3.8893707 + 539.2771@3.884413 3.884413 (540.2844, 4767.44) 1 539.2771 539.2771@3.884413 + 1056.5638@3.9041553 3.9041553 (1057.5715, 1690.86)(1058.5667, 979.43005)(1079.5446, 838.58) 2 1056.5638 1056.5638@3.9041553 + 1589.836@3.902017 3.902017 (1590.8433, 978.68005)(1591.8447, 1366.2051)(1592.8448, 819.235) 2 1589.836 1589.836@3.902017 + 1299.7205@3.9055758 3.9055758 (1300.7283, 4228.383)(1301.7305, 2720.2227)(1302.7275, 1041.4467)(1322.7096, 1374.81)(1323.7083, 1431.62)(1324.7019, 683.68005) 4 1299.7205 1299.7205@3.9055758 + 1079.5055@3.9037116 3.9037116 (1080.5122, 1407.2567)(1081.5132, 1081.2001)(1082.5121, 799.0) 3 1079.5055 1079.5055@3.9037116 + 1557.3663@3.9068246 3.9068246 (1558.3728, 3221.77)(1559.3733, 2915.4426)(1560.375, 1425.4733)(1580.3544, 932.415)(1581.3546, 1037.1333)(1582.3553, 765.5) 4 1557.3663 1557.3663@3.9068246 + 1545.8726@3.905826 3.905826 (1546.8799, 5791.8276)(1547.8828, 7771.175)(1548.8828, 4413.88)(1549.8868, 1903.2367)(1550.8881, 1031.74)(1568.8628, 2354.3252)(1569.8647, 3422.0977)(1570.8652, 1980.9249)(1571.8619, 892.94336) 4 1545.8726 1545.8726@3.905826 + 1299.219@3.9085567 3.9085567 (1300.2264, 2797.8665)(1301.2288, 3646.7832)(1302.2313, 1962.35)(1322.2056, 1309.55)(1323.2086, 1535.58)(1324.21, 770.03) 3 1299.219 1299.219@3.9085567 + 1311.2126@3.9103155 3.9103155 (1312.2192, 2949.9202)(1313.2207, 1301.4967)(1314.2017, 553.7)(1334.1987, 1216.16)(1335.202, 1291.98) 4 1311.2126 1311.2126@3.9103155 + 1557.8676@3.9036434 3.9036434 (1558.8755, 3179.7468)(1559.8772, 2151.94)(1560.8788, 957.82)(1580.8545, 1426.415)(1581.8542, 1067.4) 3 1557.8676 1557.8676@3.9036434 + 1053.0664@3.899402 3.899402 (1054.0747, 1365.26)(1055.0723, 975.94)(1076.055, 1473.39)(1077.0538, 808.89)(1078.0372, 785.8) 1 1053.0664 1053.0664@3.899402 + 1310.7113@3.899402 3.899402 (1311.7198, 2282.74)(1312.7198, 1561.66)(1313.7147, 664.76)(1333.6982, 1481.72)(1334.6981, 898.78) 1 1310.7113 1310.7113@3.899402 + C26 H41 N O5 S 3.9154086 [ C26 H41 N O5 S, mfg=94.91, overall=94.91 ] (480.27808, 76768.69)(481.28098, 24238.186)(482.27985, 11269.817)(483.2811, 3478.8718)(484.2853, 702.83)(462.26758, 14058.429)(463.27026, 6233.277)(464.2702, 2259.282)(465.2704, 684.74) 16 479.2705 C26 H41 N O5 S + 1125.5045@3.9004014 3.9004014 (1126.5117, 1027.08)(1127.5138, 773.99)(1148.4938, 1486.95)(1149.4984, 1157.4)(1150.4958, 907.74) 1 1125.5045 1125.5045@3.9004014 + 1063.5544@3.9280014 3.9280014 (1064.5619, 1499.948)(1065.5638, 1148.188)(1066.5598, 767.235) 5 1063.5544 1063.5544@3.9280014 + 1064.0548@3.9149392 3.9149392 (1065.0634, 1418.6635)(1066.063, 1355.2968)(1067.0513, 1087.64)(1087.0441, 1011.01)(1088.044, 678.9) 3 1064.0548 1064.0548@3.9149392 + 597.2063@3.9004014 3.9004014 (598.2135, 1671.08)(599.2184, 870.57) 1 597.2063 597.2063@3.9004014 + 1066.5378@3.9014006 3.9014006 (1067.5472, 886.35)(1068.545, 759.5)(1069.5436, 1225.94)(1089.5251, 778.08) 1 1066.5378 1066.5378@3.9014006 + 553.2475@3.9080744 3.9080744 (554.25446, 1803.075)(555.25525, 819.91003)(576.2368, 922.18) 2 553.2475 553.2475@3.9080744 + 1074.5457@3.9104939 3.9104939 (1075.5537, 8278.123)(1076.5568, 5172.26)(1077.5569, 2728.385)(1078.5464, 1228.815)(1097.5355, 2602.0967)(1098.5391, 1716.3467)(1099.5332, 1117.745) 4 1074.5457 1074.5457@3.9104939 + 651.241@3.917779 3.917779 (652.2475, 1899.3568)(653.25073, 948.1233) 3 651.241 651.241@3.917779 + 656.2188@3.918921 3.918921 (657.2261, 1807.7875)(658.2298, 1125.46)(679.2085, 3018.3499)(680.2111, 1381.7433)(681.2095, 637.51) 4 656.2188 656.2188@3.918921 + 572.3511@3.9043984 3.9043984 (573.3586, 2991.2)(574.3612, 1268.99)(575.3601, 906.02)(590.3831, 878.46) 1 572.3511 572.3511@3.9043984 + 540.279@3.9053977 3.9053977 (541.2863, 1627.92) 1 540.279 540.279@3.9053977 + D-Biotin 3.9212277 C00120 D-Biotin [ C10 H16 N2 O3 S, mfg=76.73, db=76.70, overall=76.72, CAS ID=58-85-5, KEGG ID=C00120, HMP ID=HMDB00030, METLIN ID=243 ] 58-85-5 (245.09496, 11685.299)(246.09998, 2144.1792)(247.09814, 1141.1786)(267.07846, 1765.7983) 13 244.088 D-Biotin HMDB00030 + 610.2134@3.9087524 3.9087524 (611.2206, 2070.01)(612.22363, 959.64) 2 610.2134 610.2134@3.9087524 + 559.255@3.9183881 3.9183881 (560.2623, 15668.67)(561.2652, 4990.97)(562.2639, 1588.17) 1 559.255 559.255@3.9183881 + 678.2011@3.9547508 3.9547508 (679.20807, 2973.3652)(680.21, 1567.704)(701.1902, 977.79004)(702.2065, 545.53) 6 678.2011 678.2011@3.9547508 + 619.1939@3.9193873 3.9193873 (620.2011, 1425.22) 1 619.1939 619.1939@3.9193873 + 1007.7272@3.9369264 3.9369264 (1008.7356, 813.73)(1009.7372, 656.48) 2 1007.7272 1007.7272@3.9369264 + 399.3704@4.0245895 4.0245895 (400.37732, 1411.478)(401.3812, 1706.54)(382.3671, 3510.805)(383.36963, 1001.42255) 5 399.3704 399.3704@4.0245895 + C19 H38 N2 O3 + 3.9920049 3.9920049 [ C19 H38 N2 O3, mfg=74.75, overall=74.75 ] (343.29535, 7428.527)(344.30112, 2224.0)(345.30075, 1011.72504) 16 342.288 C19 H38 N2 O3 + 3.9920049 + 656.2199@3.995333 3.995333 (657.2262, 736.38)(679.2093, 2715.23)(680.2091, 1534.56) 1 656.2199 656.2199@3.995333 + 559.2549@4.043707 4.043707 (560.26227, 7217.5625)(561.2656, 2347.621)(562.26447, 1046.946) 8 559.2549 559.2549@4.043707 + 617.213@3.9772985 3.9772985 (618.2194, 1619.1024)(619.22296, 767.18)(620.20917, 856.99664) 4 617.213 617.213@3.9772985 + 515.2898@4.015185 4.015185 (1031.5863, 5086.264)(1032.5912, 3969.8066)(1033.5948, 1717.3999)(1034.5922, 1091.03)(1053.5693, 7729.8306)(1054.5736, 4222.846)(1055.5731, 1976.5238)(1056.5762, 1382.5449)(516.2984, 14647.208)(517.30054, 4284.0864)(518.3033, 1758.402)(533.3237, 16432.023)(534.3269, 4620.8516)(535.33105, 2037.02)(536.3303, 643.03)(538.2803, 17604.887)(539.28357, 5730.9253)(540.28375, 2835.1016)(541.2834, 555.05) 10 515.2898 515.2898@4.015185 + 610.2134@3.9979587 3.9979587 (611.2204, 2569.425)(612.2218, 871.35)(613.223, 690.46) 2 610.2134 610.2134@3.9979587 + 1074.5457@4.0038204 4.0038204 (1075.5514, 3373.4548)(1076.5549, 1959.4075)(1077.5566, 1331.185)(1097.5331, 2531.0925)(1098.5371, 1950.89)(1099.5366, 1074.91) 4 1074.5457 1074.5457@4.0038204 + 461.2602@4.005999 4.005999 (462.26718, 4684.6187)(463.27072, 1514.0366)(464.2705, 936.78503) 6 461.2602 461.2602@4.005999 + 513.2759@4.020187 4.020187 (1027.5585, 28709.848)(1028.5621, 16975.535)(1029.5715, 30286.707)(1030.5757, 16276.927)(1031.586, 29265.94)(1032.5887, 8481.46)(1033.5931, 3374.74)(1049.5403, 9638.182)(1050.5441, 6683.25)(1051.5541, 11146.802)(1052.5583, 5734.3076)(1053.5677, 9247.5)(514.2834, 41956.777)(515.2865, 13845.517)(516.2937, 4074.0796)(517.2953, 1610.6)(496.27356, 9393.718)(497.2754, 9568.5)(531.3096, 78960.24)(532.31354, 24266.244)(533.32184, 15957.761)(534.3261, 10294.92)(535.3286, 1351.01)(536.2649, 12534.243)(537.26807, 4621.1787)(538.27716, 6590.19)(539.28253, 1832.98) 12 513.2759 513.2759@4.020187 + 557.2395@4.032255 4.032255 (558.2472, 9361.945)(559.25037, 3414.1282)(560.2595, 2453.1768)(561.2659, 563.6) 6 557.2395 557.2395@4.032255 + 356.2097@4.0570674 4.0570674 (357.21692, 2390.9824)(358.22516, 978.0975) 4 356.2097 356.2097@4.0570674 + 410.3134@4.1143885 4.1143885 (411.32074, 1262.455) 2 410.3134 410.3134@4.1143885 + 513.3826@4.151226 4.151226 (514.3899, 5921.86) 1 513.3826 513.3826@4.151226 + 505.8859@4.1692142 4.1692142 (506.8932, 1255.33) 1 505.8859 505.8859@4.1692142 + C17 H11 N4 O 4.2320533 [ C17 H11 N4 O, mfg=47.62, overall=47.62 ] (288.10056, 2213.5974)(270.0901, 1386.665) 12 287.0926 C17 H11 N4 O + 328.1321@4.234438 4.234438 (329.13937, 7930.6553)(330.14474, 2027.2356)(331.142, 786.12) 7 328.1321 328.1321@4.234438 + 374.3585@4.2191815 4.2191815 (375.3657, 2782.02) 1 374.3585 374.3585@4.2191815 + 530.1785@4.2298465 4.2298465 (531.1856, 5360.5337)(532.18835, 1273.0033)(513.1754, 2572.44)(553.1691, 791.79) 3 530.1785 530.1785@4.2298465 + 356.1442@4.2248616 4.2248616 (357.1511, 3397.5)(358.15314, 1100.05)(359.1579, 1246.05) 2 356.1442 356.1442@4.2248616 + 333.0546@4.2211804 4.2211804 (334.0619, 1736.73) 1 333.0546 333.0546@4.2211804 + 372.066@4.2221794 4.2221794 (373.0733, 1219.28) 1 372.066 372.066@4.2221794 + 198.1368@4.272332 4.272332 (199.14412, 11530.444)(200.14789, 1909.8282) 7 198.1368 198.1368@4.272332 + 271.2872@4.304267 4.304267 (272.29425, 2322.7366) 3 271.2872 271.2872@4.304267 + 340.1493@4.3031287 4.3031287 (341.1565, 3375.07) 1 340.1493 340.1493@4.3031287 + 497.2809@4.3227444 4.3227444 (498.28812, 12828.874)(499.2982, 6556.96)(500.2933, 1924.4)(480.2777, 49636.56)(481.2807, 14736.11)(482.2801, 4578.26)(483.2899, 861.53) 3 497.2809 497.2809@4.3227444 + Cytochalasin B 4.311219 C19954 Cytochalasin B [ C29 H37 N O5, mfg=68.03, db=68.00, overall=68.01, Lipid ID=LMPK11000002, KEGG ID=C19954, METLIN ID=46771 ] (480.2778, 50390.445)(481.2806, 14936.165)(482.28058, 6649.9863)(483.28217, 2242.71)(484.286, 944.59)(462.2679, 11570.3955)(463.27054, 4993.06)(464.26953, 1799.3359)(465.2703, 727.52) 13 479.2703 Cytochalasin B + LMPK11000002 1074.5461@4.3250527 4.3250527 (1075.5536, 7038.595)(1076.5568, 4495.0513)(1077.5577, 2313.874)(1078.5576, 810.0933)(1097.5353, 4190.8604)(1098.538, 2582.17)(1099.5381, 1517.9225)(1100.5386, 406.23) 6 1074.5461 1074.5461@4.3250527 + 383.2667@4.31612 4.31612 (384.2736, 836.08)(366.2634, 11722.5)(367.2665, 3721.63)(368.2744, 938.46) 1 383.2667 383.2667@4.31612 + C31 H43 O5 S2 + 4.320191 4.320191 [ C31 H43 O5 S2, mfg=91.75, overall=91.75 ] (560.26215, 8735.649)(561.2663, 3179.25)(562.26624, 1483.0671) 14 559.2552 C31 H43 O5 S2 + 4.320191 + 617.2141@4.325675 4.325675 (618.22107, 2562.83)(619.22345, 905.88)(620.2156, 1211.7925) 5 617.2141 617.2141@4.325675 + 243.0855@4.37496 4.37496 (244.09354, 11653.63)(245.099, 1824.145)(266.0746, 20242.63)(267.0777, 2498.41) 2 243.0855 243.0855@4.37496 + 234.9654@4.3746114 4.3746114 (235.97287, 1204.785)(257.9541, 1078.085) 4 234.9654 234.9654@4.3746114 + C5 H10 Cl2 N2 O3 4.3848243 [ C5 H10 Cl2 N2 O3, mfg=80.69, overall=40.35 ] (217.01431, 5055.318)(218.01746, 897.345)(219.01297, 3589.7725) 28 216.0068 C5 H10 Cl2 N2 O3 + 257.1016@4.3907485 4.3907485 (258.10886, 4001.9092)(259.11295, 925.116)(275.137, 659.27)(280.09113, 1347.5116) 15 257.1016 257.1016@4.3907485 + 459.3697@4.4157963 4.4157963 (460.37848, 2153.24)(461.367, 734.93) 2 459.3697 459.3697@4.4157963 + C7 H12 N2 O2 + 4.5500903 4.5500903 [ C7 H12 N2 O2, mfg=85.49, overall=85.49 ] (157.09703, 23547.662)(158.1028, 2646.471)(159.0979, 809.62)(139.0877, 1337.85) 17 156.0897 C7 H12 N2 O2 + 4.5500903 + 123.0793@4.5881305 4.5881305 (124.08659, 31948.697)(125.08599, 3210.3958)(126.091095, 1056.87) 7 123.0793 123.0793@4.5881305 + Galactonic acid 4.5872617 C00880 Galactonic acid [ C6 H12 O7, mfg=67.21, db=67.18, overall=67.19, CAS ID=13382-27-9, Lipid ID=LMFA01050404, KEGG ID=C00880, HMP ID=HMDB00565, METLIN ID=3336 ] 13382-27-9 (197.06447, 9048.169)(198.07152, 1104.9867) 18 196.0573 Galactonic acid HMDB00565 + LMFA01050404 733.3308@4.5894413 4.5894413 (734.3372, 2595.6067)(735.34186, 1205.8966)(736.3389, 727.56) 3 733.3308 733.3308@4.5894413 + 693.34@4.5919623 4.5919623 (694.3473, 1379.64) 1 693.34 693.34@4.5919623 + 1154.4847@4.590451 4.590451 (1155.493, 2266.5066)(1156.4974, 1499.5566)(1157.4957, 1591.7266)(1158.4929, 886.92) 3 1154.4847 1154.4847@4.590451 + 610.2146@4.6028123 4.6028123 (611.2215, 1925.69)(612.2223, 1050.7233)(628.249, 1821.26) 3 610.2146 610.2146@4.6028123 + 633.3046@4.591131 4.591131 (634.3119, 1661.0)(635.3157, 915.09) 2 633.3046 633.3046@4.591131 + 553.2472@4.606332 4.606332 (554.25433, 1778.5634)(555.2615, 828.92)(576.237, 1529.15) 3 553.2472 553.2472@4.606332 + 805.9107@4.59363 4.59363 (1634.808, 1473.17)(1635.8131, 1478.78)(806.91785, 1694.235)(807.9216, 1002.59503)(828.90076, 3206.0552)(829.90216, 1967.58) 2 805.9107 805.9107@4.59363 + 816.9016@4.5941296 4.5941296 (817.90906, 2604.83)(818.9106, 1429.3) 2 816.9016 816.9016@4.5941296 + 589.3401@4.604695 4.604695 (590.347, 4905.4434)(591.3507, 1856.442)(592.35333, 1008.34)(612.3304, 2123.268)(613.3336, 1009.56805) 6 589.3401 589.3401@4.604695 + 817.4016@4.5941296 4.5941296 (818.40955, 2606.2852)(819.41473, 1198.49) 2 817.4016 817.4016@4.5941296 + 694.3708@4.603095 4.603095 (695.3777, 5156.6)(696.38055, 2673.5833)(697.381, 1999.0)(698.3825, 510.55)(717.3611, 1628.7417)(718.3629, 915.1975) 8 694.3708 694.3708@4.603095 + 497.2808@4.630759 4.630759 (498.28876, 55105.605)(499.29193, 40380.83)(500.2914, 12654.505)(501.2913, 4313.47)(502.2926, 551.01)(480.2783, 1639.76)(520.2698, 655.835) 5 497.2808 497.2808@4.630759 + 806.4124@4.601891 4.601891 (807.42, 2098.2634)(808.4185, 730.69)(829.4016, 2724.4167)(830.4014, 1084.46) 3 806.4124 806.4124@4.601891 + 631.3973@4.6171317 4.6171317 (632.40326, 22185.494)(633.40704, 8260.34)(634.4083, 2924.3813)(635.4079, 1141.84) 8 631.3973 631.3973@4.6171317 + 479.2703@4.587658 4.587658 (480.2779, 34171.79)(481.281, 12704.033)(482.28067, 4135.9443)(483.287, 1734.1699)(462.26743, 36826.605)(463.26978, 12323.903)(464.26968, 4272.0063)(465.26892, 1282.4325) 10 479.2703 479.2703@4.587658 + 1074.5461@4.602596 4.602596 (1075.5536, 7954.328)(1076.5568, 5051.795)(1077.5575, 2339.0618)(1078.5558, 845.85333)(1092.5798, 5179.5)(1093.583, 2996.3481)(1094.583, 1804.7349)(1095.5833, 896.49)(1097.5354, 15033.932)(1098.5382, 9207.258)(1099.5388, 4289.552)(1100.5393, 1434.98)(1101.5403, 326.53) 6 1074.5461 1074.5461@4.602596 + 573.3446@4.604711 4.604711 (574.3524, 17749.363)(575.3566, 6071.8057)(576.3557, 3575.5776)(577.3457, 1737.88)(596.336, 2014.275)(597.3494, 634.41)(598.3425, 645.45) 7 573.3446 573.3446@4.604711 + 1064.0583@4.6031494 4.6031494 (1065.0645, 3390.9167)(1066.0646, 2219.2202)(1087.0468, 1625.32)(1088.0502, 941.34) 3 1064.0583 1064.0583@4.6031494 + 371.2667@4.622193 4.622193 (372.2738, 11460.923)(373.2766, 3152.8035)(374.2838, 1242.4)(394.25595, 834.93) 3 371.2667 371.2667@4.622193 + 659.1819@4.598959 4.598959 (660.1897, 1397.04)(682.17, 872.03) 1 659.1819 659.1819@4.598959 + 614.448@4.602957 4.602957 (615.4553, 29126.69)(616.4577, 1864.04)(617.4663, 885.99) 1 614.448 614.448@4.602957 + 678.2021@4.6044703 4.6044703 (679.2092, 1545.5526)(680.2107, 1000.18) 4 678.2021 678.2021@4.6044703 + 1037.0431@4.607954 4.607954 (1038.0504, 1010.12) 1 1037.0431 1037.0431@4.607954 + 1039.0402@4.6115813 4.6115813 (1040.0475, 2512.0767)(1041.0481, 1342.625)(1042.0455, 2843.81)(1043.0479, 1967.39)(1044.044, 1399.91) 3 1039.0402 1039.0402@4.6115813 + 1041.0386@4.611952 4.611952 (1042.0458, 3014.86)(1043.0496, 1137.71)(1044.0421, 1147.62) 1 1041.0386 1041.0386@4.611952 + 160.085@4.643134 4.643134 (161.09259, 22740.518)(162.09477, 2343.397)(163.08846, 1292.1034) 9 160.085 160.085@4.643134 + 204.0899@4.669582 4.669582 (205.09723, 15870.159)(206.10017, 2133.6584) 6 204.0899 204.0899@4.669582 + 615.4504@4.6639256 4.6639256 (616.4576, 7364.29)(617.4584, 1164.59) 1 615.4504 615.4504@4.6639256 + 1167.841@4.6631737 4.6631737 (1168.8484, 1420.11)(1169.8503, 951.15) 5 1167.841 1167.841@4.6631737 + 704.4304@4.7163534 4.7163534 (705.43726, 4848.918)(706.4404, 1537.7424) 4 704.4304 704.4304@4.7163534 + 479.2701@4.7529645 4.7529645 (480.278, 18205.598)(481.28073, 5538.356)(482.28107, 2380.42)(483.295, 1014.43)(462.26813, 5147.98)(463.27194, 1926.9225)(464.2694, 659.21) 7 479.2701 479.2701@4.7529645 + 515.2912@4.756021 4.756021 (1031.5896, 2983.15)(1032.593, 2080.795)(1033.5942, 1218.04)(1053.5724, 2341.4065)(1054.5752, 1742.495)(1055.5739, 1443.07)(516.29913, 6167.873)(517.3023, 2806.9133)(518.3054, 1163.934)(498.28784, 24035.05)(499.29428, 9006.347)(500.29324, 2732.9734)(501.29044, 559.9666)(533.32495, 38263.547)(534.3284, 11346.406)(535.33307, 8557.106)(536.3351, 2169.655)(538.28094, 10060.523)(539.2837, 3933.4316)(540.2834, 1492.3916) 9 515.2912 515.2912@4.756021 + 559.2553@4.7543454 4.7543454 (560.2624, 7984.475)(561.2658, 2844.13)(562.2637, 1371.3301) 6 559.2553 559.2553@4.7543454 + 246.0465@4.792576 4.792576 (247.05377, 4533.6924)(248.0569, 1093.825) 4 246.0465 246.0465@4.792576 + 368.1949@4.809679 4.809679 (369.20242, 2520.5312)(370.20712, 905.4117) 9 368.1949 368.1949@4.809679 + 757.525@4.8312783 4.8312783 (758.53253, 2429.6267)(759.5374, 1164.63) 3 757.525 757.525@4.8312783 + 638.9377@4.841843 4.841843 (639.945, 1251.6) 1 638.9377 638.9377@4.841843 + 729.4945@4.8508396 4.8508396 (730.5017, 788.85)(731.5067, 597.48) 1 729.4945 729.4945@4.8508396 + 773.5356@4.781888 4.781888 (774.53705, 3838.24)(775.54034, 2020.32)(796.518, 1128.4)(797.5286, 958.76) 3 773.5356 773.5356@4.781888 + 653.904@4.8712053 4.8712053 (654.9109, 1288.4) 3 653.904 653.904@4.8712053 + 744.5505@4.89694 4.89694 (745.5575, 3256.065)(746.5623, 2127.17) 2 744.5505 744.5505@4.89694 + 770.9692@4.9138136 4.9138136 (771.9765, 1387.96) 1 770.9692 770.9692@4.9138136 + 284.2462@4.9452105 4.9452105 (285.25348, 1989.575)(286.2525, 1097.07) 4 284.2462 284.2462@4.9452105 + 770.4691@4.9609613 4.9609613 (771.4763, 2148.04)(772.4794, 1258.9851) 2 770.4691 770.4691@4.9609613 + 675.4149@4.964794 4.964794 (676.4222, 3117.8) 1 675.4149 675.4149@4.964794 + 658.9758@4.9947834 4.9947834 (659.9831, 44674.63)(660.9855, 6587.54) 1 658.9758 658.9758@4.9947834 + 482.2949@5.006705 5.006705 (483.30347, 2221.9448)(484.3085, 884.79) 2 482.2949 482.2949@5.006705 + 504.8119@5.011906 5.011906 (505.81927, 1159.4651) 2 504.8119 504.8119@5.011906 + 600.3671@5.00552 5.00552 (601.3743, 7088.822)(602.3774, 2024.5735) 11 600.3671 600.3671@5.00552 + 633.9222@5.001237 5.001237 (634.9288, 2058.1824)(635.9365, 788.37) 4 633.9222 633.9222@5.001237 + 688.9867@5.066656 5.066656 (689.9939, 3998.8198) 2 688.9867 688.9867@5.066656 + 667.4756@5.0597606 5.0597606 (668.4829, 10227.83)(669.4832, 1318.35) 1 667.4756 667.4756@5.0597606 + 199.1321@5.0373974 5.0373974 (200.1394, 8732.79)(201.14395, 1167.8999)(182.1282, 1472.32) 2 199.1321 199.1321@5.0373974 + 696.9267@5.028927 5.028927 (697.9337, 5146.0015)(698.93665, 1020.54144) 14 696.9267 696.9267@5.028927 + 718.9395@5.1206903 5.1206903 (719.947, 4242.2573)(720.9503, 938.5528) 18 718.9395 718.9395@5.1206903 + 622.3802@5.12374 5.12374 (623.3874, 7026.08)(624.3902, 2384.03) 1 622.3802 622.3802@5.12374 + 655.4319@5.1189265 5.1189265 (656.4391, 2509.067)(657.44305, 996.7637) 13 655.4319 655.4319@5.1189265 + 703.5035@5.1817236 5.1817236 (704.5108, 22290.52)(705.5124, 2225.37) 1 703.5035 703.5035@5.1817236 + 677.9467@5.2219357 5.2219357 (678.9543, 1615.0801) 2 677.9467 677.9467@5.2219357 + 666.4071@5.2899446 5.2899446 (667.41455, 2636.5325)(668.41626, 1203.1525) 4 666.4071 666.4071@5.2899446 + 836.5075@5.2517056 5.2517056 (837.5148, 656.75)(838.5177, 830.14) 1 836.5075 836.5075@5.2517056 + 712.002@5.2747 5.2747 (713.0092, 4691.2)(713.9978, 832.03) 1 712.002 712.002@5.2747 + 699.457@5.2887506 5.2887506 (700.46436, 2072.7976)(701.46716, 992.94006) 4 699.457 699.457@5.2887506 + 842.5867@5.3436856 5.3436856 (843.594, 2661.24) 1 842.5867 842.5867@5.3436856 + 518.0347@5.3556833 5.3556833 (519.0419, 5490.45)(520.045, 882.63) 1 518.0347 518.0347@5.3556833 + 877.5329@5.45263 5.45263 (878.54083, 27010.914)(879.54425, 13537.838)(880.5548, 10224.322)(881.5638, 5467.8203)(882.5734, 3987.24)(860.5323, 10947.83)(861.5361, 5928.9)(862.546, 16472.51)(900.5235, 7865.2256)(901.5279, 3927.0166)(902.542, 8301.605)(903.54443, 3250.235)(904.5536, 8291.984) 22 877.5329 877.5329@5.45263 + 747.53@5.4333143 5.4333143 (748.53455, 3425.775)(749.5334, 1198.0) 2 747.53 747.53@5.4333143 + 494.0157@5.401675 5.401675 (495.023, 1333.78) 1 494.0157 494.0157@5.401675 + 1191.7784@5.4086742 5.4086742 (1192.7856, 1074.33)(1193.7838, 728.88)(1194.798, 1654.98)(1195.8, 1169.96)(1196.7988, 261.84) 1 1191.7784 1191.7784@5.4086742 + 929.4977@5.393962 5.393962 (930.51794, 1637.345)(931.5287, 1187.8375)(932.5136, 916.25) 4 929.4977 929.4977@5.393962 + 1173.769@5.420672 5.420672 (1174.7762, 1049.79)(1175.7759, 903.98)(1176.7861, 1377.36)(1177.7911, 763.16) 1 1173.769 1173.769@5.420672 + 747.0283@5.4216723 5.4216723 (748.0355, 4994.53)(749.0397, 930.18) 1 747.0283 747.0283@5.4216723 + 390.7806@5.4394627 5.4394627 (391.7878, 4697.691) 15 390.7806 390.7806@5.4394627 + 843.5782@5.463361 5.463361 (844.5939, 8121.175)(845.5974, 4033.96)(846.5957, 21031.0)(847.5982, 9850.64) 2 843.5782 843.5782@5.463361 + 873.617@5.4237213 5.4237213 (874.6251, 23765.953)(875.6308, 8181.48)(876.64355, 5654.1133)(877.6507, 2561.97)(878.6395, 3980.475) 7 873.617 873.617@5.4237213 + 908.6237@5.42974 5.42974 (909.63513, 3415.3025)(910.6342, 1642.1799) 4 908.6237 908.6237@5.42974 + 859.5349@5.381473 5.381473 (860.5397, 6686.4614)(861.5441, 3612.1516)(862.55237, 4470.0654)(863.556, 1187.36) 7 859.5349 859.5349@5.381473 + 1143.7906@5.4465194 5.4465194 (1144.7974, 2100.205)(1145.8, 876.9) 2 1143.7906 1143.7906@5.4465194 + 825.5799@5.4408183 5.4408183 (826.57635, 9612.633)(827.58356, 4714.6665) 3 825.5799 825.5799@5.4408183 + 1115.7587@5.444472 5.444472 (1116.7656, 2166.01)(1117.7697, 1487.46)(1118.782, 1918.9)(1119.7867, 1051.72)(1120.7937, 741.11)(1138.7412, 901.22) 3 1115.7587 1115.7587@5.444472 + 859.6075@5.4323444 5.4323444 (860.60944, 10805.538)(861.61346, 5636.0674)(862.62036, 7208.908)(863.6196, 3663.3425)(882.5923, 3407.0251)(883.5931, 2165.36)(884.6161, 1744.27)(885.612, 0.0)(886.6196, 1262.58) 22 859.6075 859.6075@5.4323444 + 612.2764@5.444617 5.444617 (613.28284, 1100.145) 2 612.2764 612.2764@5.444617 + 1165.7627@5.433228 5.433228 (1166.769, 1858.375)(1167.7727, 1188.225)(1168.7826, 713.61)(1188.7515, 809.62) 2 1165.7627 1165.7627@5.433228 + 684.3488@5.449668 5.449668 (685.3561, 1042.27) 1 684.3488 684.3488@5.449668 + 710.4337@5.4770103 5.4770103 (711.44385, 1478.25)(712.4469, 896.04407) 6 710.4337 710.4337@5.4770103 + 1181.7645@5.451668 5.451668 (1182.7719, 941.11) 1 1181.7645 1181.7645@5.451668 + 821.5432@5.5045457 5.5045457 (1644.1077, 886.88)(1645.1165, 787.84)(1646.1235, 1286.83)(1647.128, 1257.57)(1648.1381, 863.97)(1661.1279, 600.23)(822.5502, 66783.52)(823.55316, 21412.664)(824.5685, 24671.54)(844.5325, 22434.693)(845.5359, 15919.149)(846.549, 44892.82) 10 821.5432 821.5432@5.5045457 + 648.4473@5.452667 5.452667 (649.4546, 1242.74) 1 648.4473 648.4473@5.452667 + 406.7853@5.452025 5.452025 (407.79266, 2346.334)(408.78995, 838.025) 5 406.7853 406.7853@5.452025 + 925.5317@5.4370575 5.4370575 (926.5408, 3080.242)(927.5422, 1648.0785)(928.5513, 3538.6833)(929.5516, 1766.3766)(930.5578, 1630.2334)(943.5715, 870.9)(948.5198, 2350.2)(949.5234, 1478.16)(950.5337, 1805.78) 6 925.5317 925.5317@5.4370575 + 1601.0822@5.457415 5.457415 (1602.0891, 1332.175)(1603.0923, 1133.5549)(1604.097, 964.79504)(1605.1053, 362.8) 2 1601.0822 1601.0822@5.457415 + C20 H41 Cl N3 O3 5.449914 [ C20 H41 Cl N3 O3, mfg=74.50, overall=37.25 ] (407.29138, 4399.693)(408.29288, 1254.419)(409.2851, 1237.2413) 15 406.2841 C20 H41 Cl N3 O3 + 826.0525@5.450439 5.450439 (1653.1073, 830.4)(827.0586, 2201.3254)(828.06036, 1030.0573)(829.04565, 1059.9901) 11 826.0525 826.0525@5.450439 + 914.5118@5.426566 5.426566 (915.5269, 1413.925)(916.5202, 1124.03)(937.5067, 1042.7) 2 914.5118 914.5118@5.426566 + 841.523@5.443343 5.443343 (842.5287, 20160.91)(843.5322, 9849.594)(844.53186, 51518.566)(845.5352, 24796.488)(846.5503, 62672.14) 10 841.523 841.523@5.443343 + 1627.1222@5.445201 5.445201 (1628.1189, 1468.7639)(1629.1194, 1327.0167)(1630.1235, 2041.0237)(1631.1267, 2091.782)(1632.1276, 1283.6426)(1633.1245, 715.43994)(1634.1047, 892.395)(1645.1207, 585.97)(1646.1174, 861.64)(1647.1116, 726.28) 10 1627.1222 1627.1222@5.445201 + 942.5211@5.528125 5.528125 (943.5331, 2024.3416)(944.5379, 1158.6172)(945.5445, 1024.4933) 7 942.5211 942.5211@5.528125 + 1220.3365@5.453743 5.453743 (1221.3376, 3872.5925)(1222.3429, 3587.7927)(1223.3417, 2569.2927) 15 1220.3365 1220.3365@5.453743 + 922.5376@5.52549 5.52549 (923.5485, 1876.0774)(924.5504, 1651.8225)(925.5505, 1503.415) 4 922.5376 922.5376@5.52549 + 879.5366@5.462666 5.462666 (880.5439, 11818.81)(881.5567, 6592.36)(882.5655, 5561.3) 1 879.5366 879.5366@5.462666 + 1125.778@5.462666 5.462666 (1126.7864, 836.77)(1148.7667, 1281.76)(1149.765, 855.64)(1150.773, 2033.95)(1151.7744, 1093.04) 1 1125.778 1125.778@5.462666 + 889.63@5.4040036 5.4040036 (890.63403, 26274.543)(891.6374, 13351.319)(892.6461, 16231.495)(893.6469, 8503.87)(894.6425, 3358.3865)(895.6631, 2869.74)(872.6099, 14760.39)(873.6134, 7920.99)(874.6262, 34208.89)(875.6299, 17410.69)(876.6424, 40001.27)(912.5995, 2158.94)(913.6009, 929.245)(914.6189, 2485.0098)(915.6239, 1366.6)(916.6384, 1401.9) 29 889.63 889.63@5.4040036 + 1239.8265@5.4756956 5.4756956 (1240.8281, 1051.8325)(1241.8306, 1151.96)(1242.8363, 1080.6725) 4 1239.8265 1239.8265@5.4756956 + 947.5128@5.454685 5.454685 (948.51874, 2437.134)(949.5303, 1418.9181)(950.53253, 1428.074)(965.5479, 1101.37)(970.50446, 793.265) 5 947.5128 947.5128@5.454685 + 831.5777@5.4038405 5.4038405 (1686.1362, 976.5)(1687.1418, 820.01)(832.5837, 237367.08)(833.58704, 124107.14)(834.58997, 39227.0)(835.5943, 18478.17)(836.5939, 2274.225)(854.5664, 39053.35)(855.56976, 22660.676)(856.5801, 30202.48) 28 831.5777 831.5777@5.4038405 + 1115.7593@5.4723563 5.4723563 (1116.7665, 1958.3934)(1117.77, 1382.5317)(1118.7821, 3539.1033)(1119.7855, 2393.6733)(1120.7899, 699.01)(1121.7955, 393.36)(1138.747, 1222.95)(1139.7546, 794.61)(1140.7642, 1330.63) 6 1115.7593 1115.7593@5.4723563 + 927.6538@5.470665 5.470665 (928.6611, 2626.99)(929.6659, 1639.92)(930.6684, 969.02) 1 927.6538 927.6538@5.470665 + 885.5816@5.4741077 5.4741077 (886.5884, 4047.2463)(887.5962, 2054.31)(888.5858, 5570.5947)(889.5697, 1779.6)(890.5727, 2237.41) 3 885.5816 885.5816@5.4741077 + 397.7709@5.451261 5.451261 (398.778, 1948.735) 2 397.7709 397.7709@5.451261 + 816.5711@5.480775 5.480775 (817.5786, 180482.77) 2 816.5711 816.5711@5.480775 + 785.5216@5.5040936 5.5040936 (786.5298, 24959.902)(787.5363, 12282.957) 4 785.5216 785.5216@5.5040936 + 797.558@5.4670725 5.4670725 (1596.1158, 1594.29)(798.56537, 61904.844)(799.56836, 31633.934)(800.57935, 97978.28)(801.583, 45032.33)(802.5744, 24805.955)(803.5686, 12429.8)(780.5544, 468311.72)(781.5574, 225051.78)(820.5416, 22270.135)(821.5458, 11613.689) 20 797.558 797.558@5.4670725 + 946.5086@5.4936624 5.4936624 (947.5159, 1042.36) 1 946.5086 946.5086@5.4936624 + 825.5111@5.49476 5.49476 (826.51917, 16586.537)(827.52234, 7794.05) 5 825.5111 825.5111@5.49476 + 398.778@5.446267 5.446267 (399.78525, 4397.482) 5 398.778 398.778@5.446267 + 761.5172@5.508661 5.508661 (762.5245, 2076.14) 1 761.5172 761.5172@5.508661 + 907.6206@5.511466 5.511466 (908.62744, 2370.85)(909.6323, 1209.56)(930.6108, 1457.04) 2 907.6206 907.6206@5.511466 + 1117.7737@5.4947395 5.4947395 (1118.781, 2755.9727)(1119.7853, 1785.3751)(1120.7894, 1170.2633)(1140.7634, 730.04) 4 1117.7737 1117.7737@5.4947395 + 881.5154@5.5176597 5.5176597 (882.5227, 2853.88)(883.5177, 560.94)(884.5297, 2235.35) 1 881.5154 881.5154@5.5176597 + 845.5417@5.5906076 5.5906076 (846.5495, 8112.09)(847.5525, 3601.6348)(848.5541, 12001.705)(849.5553, 5117.545)(850.57336, 9274.006)(868.5335, 5582.6553)(869.5353, 2137.91) 2 845.5417 845.5417@5.5906076 + 865.5633@5.490824 5.490824 (866.5732, 8546.58)(867.5767, 3926.5732)(868.5882, 13223.54)(869.5912, 4791.15) 3 865.5633 865.5633@5.490824 + 851.5324@5.476825 5.476825 (852.54034, 5069.0312)(853.5443, 2691.584)(854.5563, 11447.502)(855.5562, 12595.11) 8 851.5324 851.5324@5.476825 + 974.525@5.5389495 5.5389495 (975.5334, 930.2767)(976.5412, 825.8934)(977.5472, 787.0433)(957.5219, 5892.02)(958.5256, 3936.25)(959.5308, 2799.56)(992.5706, 1267.06)(997.5207, 573.47) 3 974.525 974.525@5.5389495 + 771.5466@5.517612 5.517612 (1561.1301, 977.22)(772.55273, 269652.22)(773.55707, 123496.24)(774.5641, 131877.84)(775.56757, 56668.195)(776.57245, 15897.779)(777.5657, 6079.915)(794.5336, 43160.434)(795.53546, 20418.574)(796.542, 38060.184)(797.5465, 13790.715) 7 771.5466 771.5466@5.517612 + 1115.7618@5.524519 5.524519 (1116.7688, 1480.76)(1117.7715, 1206.98)(1138.7509, 864.12) 2 1115.7618 1115.7618@5.524519 + 984.5439@5.527659 5.527659 (985.5511, 3244.37)(986.555, 1859.27)(987.5665, 2034.57) 1 984.5439 984.5439@5.527659 + 777.5313@5.4442816 5.4442816 (778.5392, 21521.393)(779.5416, 10417.1875)(800.52185, 2424.24) 21 777.5313 777.5313@5.4442816 + 399.7861@5.498078 5.498078 (822.5582, 52646.8)(823.5615, 28573.79)(824.5722, 15881.47)(825.5769, 4840.46)(400.79324, 5476.7456)(401.79572, 1003.334)(402.78143, 871.65) 9 399.7861 399.7861@5.498078 + 950.541@5.550771 5.550771 (951.5482, 1660.4226)(952.56323, 1040.045)(953.563, 4372.0073)(954.56573, 2366.4526)(955.575, 4726.96)(973.5416, 881.62) 8 950.541 950.541@5.550771 + 987.5657@5.531658 5.531658 (988.573, 1368.54)(989.5702, 1005.83) 1 987.5657 987.5657@5.531658 + 774.5624@5.5143657 5.5143657 (775.571, 20443.955)(776.576, 8566.748)(777.55536, 7125.2705) 9 774.5624 774.5624@5.5143657 + 146.9963@5.536658 5.536658 (295.0001, 2641.28)(316.9816, 2629.91)(148.0036, 18118.51)(149.0105, 790.69)(150.0004, 1076.54)(169.9855, 10459.89) 1 146.9963 146.9963@5.536658 + 440.9895@5.536658 5.536658 (441.9969, 2106.26)(463.9785, 1607.15) 1 440.9895 440.9895@5.536658 + 1145.8049@5.5376577 5.5376577 (1146.8123, 2322.27)(1147.8162, 1427.11)(1148.8203, 1041.07) 1 1145.8049 1145.8049@5.5376577 + 1183.7728@5.4839964 5.4839964 (1184.7899, 902.82)(1185.8065, 897.19)(1186.8103, 701.66)(1166.7677, 1942.3)(1167.7704, 919.42)(1168.7856, 666.87) 2 1183.7728 1183.7728@5.4839964 + 867.5823@5.544149 5.544149 (868.5891, 8357.993)(869.59283, 4502.11)(870.59766, 2083.3252)(850.5859, 11551.05)(890.573, 4465.38)(891.567, 3318.41)(892.5548, 2597.14) 9 867.5823 867.5823@5.544149 + 962.5619@5.5436573 5.5436573 (963.5692, 2256.76)(964.5755, 1548.46)(965.5844, 2393.45) 1 962.5619 962.5619@5.5436573 + 715.4775@5.504072 5.504072 (716.48236, 2027.6283)(717.48737, 1118.4661)(738.4671, 704.725) 6 715.4775 715.4775@5.504072 + 802.5913@5.537729 5.537729 (803.5986, 34565.62)(804.5999, 12791.145)(805.60205, 3728.085) 5 802.5913 802.5913@5.537729 + 918.5419@5.5447693 5.5447693 (919.54816, 4227.9795)(920.5533, 2563.75)(921.5573, 6005.54)(901.5321, 1029.49)(941.5317, 3908.3567)(942.5388, 3149.7266)(943.5381, 5296.3203)(944.546, 2903.2)(945.54767, 841.125) 4 918.5419 918.5419@5.5447693 + 965.5807@5.547657 5.547657 (966.588, 1838.61)(967.5814, 1215.65)(968.5882, 953.79) 1 965.5807 965.5807@5.547657 + 1055.5859@5.577092 5.577092 (1056.5935, 1538.0149)(1057.596, 996.9051)(1058.6093, 2049.8857)(1059.6129, 930.042)(1060.6138, 463.56) 10 1055.5859 1055.5859@5.577092 + 538.7114@5.5526567 5.5526567 (539.7187, 853.32) 1 538.7114 538.7114@5.5526567 + 1029.5734@5.5546565 5.5546565 (1030.5807, 1921.99)(1031.5814, 1454.08)(1032.5862, 934.81) 1 1029.5734 1029.5734@5.5546565 + 522.0401@5.5681963 5.5681963 (1045.0911, 1679.27)(1046.0852, 1121.06)(1047.0858, 1144.56)(1067.0726, 1197.225)(1068.0715, 1069.72)(523.048, 7095.8896)(524.0496, 1637.28)(525.0438, 3558.28)(526.0449, 385.66) 2 522.0401 522.0401@5.5681963 + 720.5523@5.5556564 5.5556564 (721.5596, 1019.88)(722.5556, 693.15) 1 720.5523 720.5523@5.5556564 + 584.5481@5.5727444 5.5727444 (1170.1039, 1728.37)(1171.106, 1252.52)(585.55505, 1584.435)(586.5513, 880.82)(607.5381, 850.86) 2 584.5481 584.5481@5.5727444 + 875.1024@5.57535 5.57535 (876.10974, 3404.0674)(877.1102, 1506.305)(878.10736, 1967.13)(879.1101, 451.94)(898.09125, 1229.635)(899.0905, 1062.825) 4 875.1024 875.1024@5.57535 + 647.0549@5.5652795 5.5652795 (648.06244, 3330.7068)(649.0632, 1303.88)(650.06, 1248.21)(670.0444, 3164.38)(671.0433, 755.79)(672.0402, 872.21) 3 647.0549 647.0549@5.5652795 + 919.0764@5.6029487 5.6029487 (920.0804, 1529.3678)(921.084, 1208.406)(942.0619, 1394.3225)(943.0598, 1018.26) 9 919.0764 919.0764@5.6029487 + 544.0221@5.5972605 5.5972605 (545.0293, 2891.376)(567.0113, 1403.2029) 8 544.0221 544.0221@5.5972605 + 840.0121@5.572655 5.572655 (841.0194, 1060.47) 1 840.0121 840.0121@5.572655 + 859.9961@5.576655 5.576655 (861.0033, 1742.4) 1 859.9961 859.9961@5.576655 + 1143.7878@5.576655 5.576655 (1144.7969, 1422.87)(1145.7994, 1062.48)(1166.7734, 651.79) 1 1143.7878 1143.7878@5.576655 + 1149.7642@5.492796 5.492796 (1150.7745, 1142.16)(1151.7761, 744.69495)(1152.7778, 569.74)(1172.746, 749.44) 3 1149.7642 1149.7642@5.492796 + C27 H55 N4 O3 5.584207 [ C27 H55 N4 O3, mfg=66.39, overall=66.39 ] (484.43546, 1907.8099)(485.43805, 837.48596) 7 483.4282 C27 H55 N4 O3 + 1101.7804@5.5796547 5.5796547 (1102.7864, 1093.64)(1103.7903, 838.51)(1124.7719, 586.14)(1125.7733, 621.4) 1 1101.7804 1101.7804@5.5796547 + 440.9888@5.5816545 5.5816545 (882.9868, 1182.16)(441.9964, 2775.3)(463.9771, 1989.6) 1 440.9888 440.9888@5.5816545 + 986.5625@5.5548496 5.5548496 (987.5639, 1402.8018)(988.5669, 1006.3367)(989.56824, 719.495)(969.5601, 2114.63)(970.5642, 1323.29)(971.571, 1733.78)(1009.5354, 706.42) 6 986.5625 986.5625@5.5548496 + 763.5819@5.593942 5.593942 (764.58685, 4180.6675)(765.58356, 1705.5391)(766.58295, 1594.2067)(746.5699, 15299.51)(747.5727, 6955.51)(748.5739, 907.11) 11 763.5819 763.5819@5.593942 + 749.4847@5.5849433 5.5849433 (750.4917, 3168.298)(751.49384, 1849.4984)(752.5012, 1146.62)(772.4708, 1428.85) 6 749.4847 749.4847@5.5849433 + 538.7122@5.5956535 5.5956535 (539.7194, 2101.17) 1 538.7122 538.7122@5.5956535 + 346.1425@5.60719 5.60719 (347.14972, 3975.655)(348.15356, 1212.995) 2 346.1425 346.1425@5.60719 + 651.4358@5.584755 5.584755 (652.4426, 2763.665) 2 651.4358 651.4358@5.584755 + 304.9532@5.607653 5.607653 (305.9605, 1626.07) 1 304.9532 304.9532@5.607653 + 675.4457@5.6029377 5.6029377 (676.4529, 4271.8267)(677.4566, 1653.9701)(698.43726, 1707.595)(699.4391, 1134.43) 6 675.4457 675.4457@5.6029377 + 1145.8033@5.622652 5.622652 (1146.8105, 1132.82)(1147.816, 950.41) 1 1145.8033 1145.8033@5.622652 + 863.5985@5.5563016 5.5563016 (864.6008, 7156.5146)(865.6045, 904.23)(846.5962, 45202.8)(847.5995, 22570.23) 2 863.5985 863.5985@5.5563016 + 365.2736@5.644029 5.644029 (366.28058, 2316.865)(367.2818, 609.35) 2 365.2736 365.2736@5.644029 + 944.5524@5.6416516 5.6416516 (945.5597, 997.64)(946.5602, 959.21)(947.5612, 806.57) 1 944.5524 944.5524@5.6416516 + 841.5114@5.691038 5.691038 (842.5174, 3065.45)(843.5229, 1198.105)(844.532, 2097.56) 2 841.5114 841.5114@5.691038 + 760.5802@5.642707 5.642707 (761.5875, 383719.97)(762.5909, 95559.85)(763.59393, 21907.637)(764.5957, 3183.3867)(765.5922, 886.13) 7 760.5802 760.5802@5.642707 + 803.532@5.662001 5.662001 (804.53906, 21469.06)(805.5428, 6558.2266)(821.5695, 1909.64) 3 803.532 803.532@5.662001 + 649.4314@5.658445 5.658445 (1321.8444, 623.7)(650.4388, 29100.422)(651.4421, 11320.997)(652.4417, 3308.148)(653.43713, 1000.03326)(672.42017, 7700.904)(673.4234, 3347.742)(674.434, 1659.5566) 14 649.4314 649.4314@5.658445 + 829.629@5.592293 5.592293 (830.6338, 7473.504)(831.63715, 3763.0906)(847.6632, 6488.1)(848.6623, 2341.43) 17 829.629 829.629@5.592293 + 650.434@5.6816506 5.6816506 (651.4413, 4724.6)(652.4393, 1483.17) 1 650.434 650.434@5.6816506 + 553.3857@5.7027297 5.7027297 (554.3941, 1334.6433) 3 553.3857 553.3857@5.7027297 + 521.2489@5.700822 5.700822 (522.2566, 3580.243)(523.2599, 1205.5621) 11 521.2489 521.2489@5.700822 + 491.2653@5.7056384 5.7056384 (492.272, 3049.6619)(493.27667, 1017.338) 6 491.2653 491.2653@5.7056384 + 621.4@5.713775 5.713775 (622.4073, 3134.0398)(623.40894, 1697.46)(624.3899, 1028.53) 4 621.4 621.4@5.713775 + 553.0523@5.7171583 5.7171583 (554.06006, 2995.799) 10 553.0523 553.0523@5.7171583 + 762.5871@5.711651 5.711651 (763.5944, 7213.51)(764.5954, 1924.18) 1 762.5871 762.5871@5.711651 + 743.5745@5.67091 5.67091 (744.5866, 9919.521)(745.5905, 4499.6997)(746.5701, 10684.624)(747.5716, 5072.237)(748.57587, 1748.0934)(766.5659, 1162.46)(767.5874, 269.07)(768.5485, 1864.22) 7 743.5745 743.5745@5.67091 + 765.4781@5.717651 5.717651 (766.4818, 696.04)(748.4752, 2892.33)(749.4792, 1432.55) 1 765.4781 765.4781@5.717651 + 784.4889@5.752372 5.752372 (785.49615, 999.22)(802.5226, 2736.21)(803.5265, 1371.09) 2 784.4889 784.4889@5.752372 + 751.4893@5.725651 5.725651 (752.4966, 1256.35) 1 751.4893 751.4893@5.725651 + 917.5337@5.740651 5.740651 (918.5409, 1258.66)(919.5536, 971.89) 1 917.5337 917.5337@5.740651 + 705.5297@5.7486515 5.7486515 (706.537, 1973.38)(707.5392, 1243.67) 1 705.5297 705.5297@5.7486515 + 457.3395@5.7776723 5.7776723 (458.34656, 6619.925)(459.35086, 2118.725) 2 457.3395 457.3395@5.7776723 + 732.4773@5.7776527 5.7776527 (733.4846, 4463.68)(734.4869, 1741.72) 1 732.4773 732.4773@5.7776527 + 729.4577@5.7872777 5.7872777 (730.46533, 2873.8782)(731.4692, 1302.2117)(752.4503, 1085.22) 6 729.4577 729.4577@5.7872777 + C28 H43 O3 S2 5.8017864 [ C28 H43 O3 S2, mfg=75.79, overall=75.79 ] (492.27173, 3688.8198)(493.2731, 1349.9199)(494.2756, 968.05)(474.2646, 807.87) 10 491.2643 C28 H43 O3 S2 + 567.7288@5.7926536 5.7926536 (568.7361, 1393.25) 1 567.7288 567.7288@5.7926536 + 509.2748@5.7978506 5.7978506 (510.28217, 2366.2576)(511.286, 807.3775)(512.2963, 747.58496)(492.27194, 4404.265)(493.2754, 1444.2649)(532.2642, 2624.8733)(533.2669, 856.6066) 8 509.2748 509.2748@5.7978506 + 844.8379@5.7996535 5.7996535 (845.8452, 2816.22) 1 844.8379 844.8379@5.7996535 + 947.3217@5.825868 5.825868 (948.3276, 1084.29) 2 947.3217 947.3217@5.825868 + 564.2892@5.8076544 5.8076544 (565.2964, 1042.12) 1 564.2892 564.2892@5.8076544 + 841.5692@5.8135443 5.8135443 (842.5768, 5032.762)(843.581, 4246.915)(844.58203, 1877.6462)(824.5576, 20523.27)(825.5611, 9684.01)(826.5612, 5298.23)(827.5617, 2146.43)(864.5591, 3483.8252)(865.5604, 1586.94)(866.5532, 1002.72) 20 841.5692 841.5692@5.8135443 + 794.5678@5.8116226 5.8116226 (795.5742, 13923.5625)(796.572, 9513.313)(797.5745, 3691.2168) 3 794.5678 794.5678@5.8116226 + 767.5475@5.8086543 5.8086543 (768.5548, 2059.56)(769.556, 969.86) 1 767.5475 767.5475@5.8086543 + 913.5625@5.8243356 5.8243356 (914.5674, 4183.313)(915.5734, 2267.74)(916.5762, 2296.0) 3 913.5625 913.5625@5.8243356 + 739.41@5.817794 5.817794 (740.4158, 2822.02)(741.4201, 1327.105) 2 739.41 739.41@5.817794 + 1005.6147@5.8355546 5.8355546 (1006.62164, 1859.1891)(1007.6242, 1195.8228)(1008.63684, 3570.2776)(1009.6408, 2170.7297)(1010.64374, 978.36) 22 1005.6147 1005.6147@5.8355546 + 754.4613@5.8106546 5.8106546 (755.4685, 2457.54)(756.464, 1235.83)(757.4851, 714.01) 1 754.4613 754.4613@5.8106546 + 436.2328@5.8116546 5.8116546 (437.24, 1091.16) 1 436.2328 436.2328@5.8116546 + 810.0581@5.810359 5.810359 (811.06604, 4011.395)(812.06744, 2054.585) 2 810.0581 810.0581@5.810359 + 753.5271@5.8255053 5.8255053 (754.5339, 1609.97)(755.5359, 704.4033) 4 753.5271 753.5271@5.8255053 + 751.4423@5.822528 5.822528 (752.4479, 2214.9526)(753.45154, 1062.2225)(754.4624, 5738.045)(755.4699, 2186.725) 4 751.4423 751.4423@5.822528 + 939.5395@5.8285084 5.8285084 (940.54614, 3613.1824)(941.5479, 2231.67)(942.56366, 8861.337)(943.5667, 4683.1934)(944.55743, 12168.587)(945.5579, 8413.33)(946.546, 10727.5) 4 939.5395 939.5395@5.8285084 + 545.3451@5.8158197 5.8158197 (546.35236, 3570.355)(547.35504, 1170.2749) 2 545.3451 545.3451@5.8158197 + 497.7515@5.818655 5.818655 (498.7588, 1212.9) 1 497.7515 497.7515@5.818655 + 1279.7466@5.832847 5.832847 (1280.7561, 2414.575)(1281.7614, 804.82666) 6 1279.7466 1279.7466@5.832847 + 643.3804@5.838875 5.838875 (1287.7643, 1462.5034)(1288.7509, 1014.73)(644.3901, 3285.5256)(645.39435, 1425.8375)(666.378, 730.45) 9 643.3804 643.3804@5.838875 + 824.0675@5.827568 5.827568 (825.0751, 1721.3301)(826.0647, 971.175)(827.0558, 1090.18)(847.0615, 878.65)(848.0619, 582.47)(849.0439, 805.94) 2 824.0675 824.0675@5.827568 + 1211.7612@5.841615 5.841615 (1212.7688, 2586.513)(1213.7727, 870.86255) 7 1211.7612 1211.7612@5.841615 + 389.9504@5.8366346 5.8366346 (390.95718, 2863.8862)(391.9584, 783.04) 20 389.9504 389.9504@5.8366346 + 560.7458@5.8256555 5.8256555 (561.7531, 1278.16)(562.7501, 630.75) 1 560.7458 560.7458@5.8256555 + 743.3643@5.83327 5.83327 (744.3707, 1910.065) 2 743.3643 743.3643@5.83327 + 974.3057@5.839156 5.839156 (975.3145, 1837.8828) 7 974.3057 974.3057@5.839156 + 552.7338@5.829531 5.829531 (553.7404, 2124.7068)(554.7433, 1169.9667)(555.7404, 641.05) 3 552.7338 552.7338@5.829531 + 464.7674@5.8302875 5.8302875 (930.5438, 1523.33)(931.5439, 1232.9)(932.5454, 1518.43)(947.5611, 2390.3)(465.77295, 2301.17)(466.7697, 993.3641)(467.7711, 560.57)(487.7528, 969.06) 6 464.7674 464.7674@5.8302875 + 907.5517@5.829066 5.829066 (908.558, 6956.52)(909.562, 3813.02)(910.5511, 2948.715) 2 907.5517 907.5517@5.829066 + 451.2538@5.8286934 5.8286934 (452.26123, 3920.66)(453.26163, 731.362) 6 451.2538 451.2538@5.8286934 + C5 H11 Cl3 N O4 5.839201 [ C5 H11 Cl3 N O4, mfg=47.61, overall=47.61 ] (254.9826, 2964.0898) 15 253.9754 C5 H11 Cl3 N O4 + C29 H2 O7 S2 5.836582 [ C29 H2 O7 S2, mfg=61.10, overall=61.10 ] (526.93195, 2350.7693)(527.9347, 939.22) 23 525.9247 C29 H2 O7 S2 + 767.4313@5.8383155 5.8383155 (768.4416, 2019.5299)(769.4427, 1206.2466)(770.4303, 2408.77)(771.4209, 694.35) 3 767.4313 767.4313@5.8383155 + 444.7536@5.827656 5.827656 (890.5163, 2483.01)(891.5142, 1187.53)(445.7594, 1033.08) 1 444.7536 444.7536@5.827656 + 1015.5036@5.831749 5.831749 (1016.512, 1934.9252)(1017.5159, 972.5967)(1018.521, 858.715)(1019.5465, 270.77) 6 1015.5036 1015.5036@5.831749 + 493.2633@5.833211 5.833211 (987.53235, 3114.615)(988.5225, 1855.975)(989.5143, 1722.23)(1009.523, 841.49)(494.27045, 1297.375)(516.2535, 743.18) 2 493.2633 493.2633@5.833211 + 1320.7501@5.832557 5.832557 (1321.7577, 1727.2699) 5 1320.7501 1320.7501@5.832557 + 711.3889@5.898273 5.898273 (1423.7369, 1568.73)(712.3908, 1749.6598)(713.39197, 900.7291)(714.4055, 2900.5425)(715.4108, 1942.1367)(716.427, 10567.45)(729.4286, 677.49) 12 711.3889 711.3889@5.898273 + 961.5429@5.9081664 5.9081664 (962.5455, 1697.4717)(963.5511, 716.886)(964.546, 1363.5399)(965.5242, 544.08)(966.5144, 1298.45)(984.5215, 1130.61)(985.53125, 1078.6)(986.5236, 1144.16) 6 961.5429 961.5429@5.9081664 + 975.5368@5.8227096 5.8227096 (976.5383, 1670.8232)(977.54083, 1013.84503)(978.542, 1047.1884)(979.542, 506.505)(980.5428, 1511.04)(958.5172, 331.94) 6 975.5368 975.5368@5.8227096 + 518.7428@5.83279 5.83279 (1055.5212, 1796.08)(1056.518, 771.77)(519.7479, 2095.834)(520.7475, 993.992)(521.74817, 994.07196) 5 518.7428 518.7428@5.83279 + 477.7427@5.837158 5.837158 (478.75247, 1403.6066) 3 477.7427 477.7427@5.837158 + 1012.5392@5.833272 5.833272 (1013.5477, 3507.4373)(1014.54755, 2395.483)(1015.5463, 1270.655)(995.5397, 860.27) 7 1012.5392 1012.5392@5.833272 + 917.5337@5.8414664 5.8414664 (918.54034, 11543.128)(919.54376, 6091.126)(920.5412, 3015.1948)(900.5226, 3815.595)(901.5215, 2599.855)(902.5356, 2021.55)(903.5366, 1064.16)(904.5518, 874.6) 21 917.5337 917.5337@5.8414664 + 491.7539@5.831891 5.831891 (984.5198, 1365.1799)(985.53375, 987.56)(492.7602, 1529.35) 2 491.7539 491.7539@5.831891 + 1007.5285@5.829352 5.829352 (1008.53094, 1131.5667)(1009.5327, 1019.025)(1010.5509, 3518.1)(1011.5595, 1105.47)(1012.5453, 5466.69) 3 1007.5285 1007.5285@5.829352 + 515.7643@5.8334055 5.8334055 (1032.5242, 837.28)(1054.5156, 1575.4667)(1055.5199, 997.53)(516.76776, 1982.9226)(517.7614, 926.83)(518.75745, 1542.46)(538.7492, 1111.02) 4 515.7643 515.7643@5.8334055 + 709.3674@5.8331275 5.8331275 (710.3733, 1730.2134)(711.36707, 706.195)(712.3795, 2644.79)(713.3816, 1370.71) 6 709.3674 709.3674@5.8331275 + 930.5429@5.836757 5.836757 (931.5498, 2186.66)(932.5539, 1829.5343)(933.554, 956.734) 7 930.5429 930.5429@5.836757 + 841.0726@5.8277555 5.8277555 (842.07794, 2046.1034)(864.06213, 1564.0549)(865.0603, 806.06)(866.0497, 899.81) 3 841.0726 841.0726@5.8277555 + 1395.7444@5.8391075 5.8391075 (1396.7529, 1733.8425) 4 1395.7444 1395.7444@5.8391075 + 871.5544@5.811572 5.811572 (872.5611, 4464.016)(873.5634, 2456.3958)(874.5753, 14246.251)(875.5788, 8029.65)(876.57025, 72843.39)(854.5523, 6371.87)(855.5548, 1197.23)(894.5448, 2140.61)(895.5484, 1389.17)(896.5579, 5734.89)(897.5587, 4371.63)(898.5606, 3892.97) 7 871.5544 871.5544@5.811572 + 940.3139@5.834829 5.834829 (941.3208, 1825.485) 6 940.3139 940.3139@5.834829 + 485.2479@5.828767 5.828767 (486.25513, 3499.8484)(487.25565, 802.48663)(503.2792, 617.16) 7 485.2479 485.2479@5.828767 + C14 Cl3 N2 O2 S5 5.836081 [ C14 Cl3 N2 O2 S5, mfg=47.32, overall=47.32 ] (986.5293, 4882.0547)(987.5318, 2640.415)(988.5081, 2109.935)(989.5132, 490.18)(990.5104, 1164.05)(493.76624, 2027.0798)(494.76526, 914.36255)(495.75134, 748.19995)(515.7525, 711.52246) 8 492.761 C14 Cl3 N2 O2 S5 + 927.5307@5.944276 5.944276 (928.541, 2301.45)(929.5406, 1513.7466)(930.53784, 2013.145)(910.5262, 4686.4)(911.5326, 1456.53)(912.5357, 3502.69)(913.538, 2486.3)(914.5257, 2646.14) 7 927.5307 927.5307@5.944276 + 508.7558@5.8346562 5.8346562 (509.763, 814.03) 1 508.7558 508.7558@5.8346562 + 482.2703@5.8376565 5.8376565 (965.5487, 2047.59)(966.5415, 1319.29)(967.5299, 831.47)(483.2766, 1194.19) 1 482.2703 482.2703@5.8376565 + 811.0626@5.8386564 5.8386564 (812.0698, 2322.42)(813.0576, 704.07) 1 811.0626 811.0626@5.8386564 + 921.5299@5.8846354 5.8846354 (922.5422, 1829.5859)(923.5467, 1328.904)(924.5525, 4276.2065)(925.5557, 2341.11)(926.5463, 2210.54)(927.54095, 952.17004)(928.5497, 1908.64)(944.5387, 2122.27)(945.5388, 1004.85)(946.5524, 1159.95) 5 921.5299 921.5299@5.8846354 + 867.5256@5.8390613 5.8390613 (868.5325, 7265.5)(869.53595, 3662.585)(870.5456, 4975.245)(871.5494, 828.19)(872.561, 6246.63)(890.5174, 3889.16)(891.5201, 2179.19)(892.5318, 7041.13)(893.5372, 3432.56)(894.5443, 2344.81) 2 867.5256 867.5256@5.8390613 + 997.5395@5.8406568 5.8406568 (998.5468, 878.93) 1 997.5395 997.5395@5.8406568 + 839.4152@5.8382483 5.8382483 (840.42285, 2136.82)(841.4265, 1114.1324)(842.43646, 912.19336) 4 839.4152 839.4152@5.8382483 + 506.7575@5.8405495 5.8405495 (507.765, 1649.05)(508.763, 913.49) 2 506.7575 506.7575@5.8405495 + 673.3627@5.867682 5.867682 (674.36816, 2925.7634)(675.3693, 1357.002)(676.3805, 1202.735) 6 673.3627 673.3627@5.867682 + 807.4094@5.8416276 5.8416276 (808.4292, 1607.6975)(809.43774, 1076.175)(810.4133, 1330.2051) 4 807.4094 807.4094@5.8416276 + 819.0606@5.842657 5.842657 (820.0678, 1533.03)(821.0684, 784.37)(822.0867, 973.42) 1 819.0606 819.0606@5.842657 + 1531.7194@5.8312964 5.8312964 (1532.7269, 1157.8926) 4 1531.7194 1531.7194@5.8312964 + 703.4431@5.8723006 5.8723006 (704.45013, 20672.514)(705.4541, 8196.935)(706.4569, 1775.995)(707.4574, 91.37) 7 703.4431 703.4431@5.8723006 + 791.4367@5.848036 5.848036 (792.4423, 1624.7134)(793.44165, 986.27325)(794.4362, 2185.1367)(795.4397, 1003.46497)(796.4372, 1059.99) 3 791.4367 791.4367@5.848036 + 769.4014@5.916634 5.916634 (770.41736, 2011.109)(771.41376, 1053.3789)(772.42285, 957.1501) 11 769.4014 769.4014@5.916634 + 1660.687@5.849658 5.849658 (1661.6943, 915.03) 1 1660.687 1660.687@5.849658 + 753.5168@5.8295684 5.8295684 (754.5234, 1621.15)(755.5363, 598.2266) 3 753.5168 753.5168@5.8295684 + 697.4276@5.850658 5.850658 (698.4349, 1118.12)(699.4484, 950.65)(700.4458, 2151.13) 1 697.4276 697.4276@5.850658 + 701.4261@5.87932 5.87932 (702.42896, 2268.0024)(703.4271, 1232.7775) 4 701.4261 701.4261@5.87932 + 729.4552@5.851658 5.851658 (730.4609, 2018.08)(731.4483, 440.75)(732.4404, 382.64)(752.447, 1545.77)(753.4628, 847.53) 1 729.4552 729.4552@5.851658 + C34 H53 N3 O3 S2 5.833126 [ C34 H53 N3 O3 S2, mfg=79.78, overall=79.78 ] (616.3579, 3819.9312)(617.3639, 1489.9747)(618.3669, 833.9567) 21 615.3503 C34 H53 N3 O3 S2 + 725.4269@5.8671618 5.8671618 (726.4387, 6500.972)(727.4496, 2911.8608)(728.4441, 1858.676)(729.4477, 0.0)(708.4445, 710.21) 10 725.4269 725.4269@5.8671618 + 832.061@5.8515787 5.8515787 (833.0716, 1511.845)(834.06995, 1114.7051)(835.066, 1288.58) 2 832.061 832.061@5.8515787 + 1219.7639@5.8586583 5.8586583 (1220.7712, 948.39) 1 1219.7639 1219.7639@5.8586583 + 455.3246@5.8667965 5.8667965 (456.33176, 3223.425)(457.33643, 1231.5549) 2 455.3246 455.3246@5.8667965 + 659.4154@5.871927 5.871927 (660.4197, 2551.936)(661.42267, 1342.844) 5 659.4154 659.4154@5.871927 + 309.9053@5.886837 5.886837 (310.91257, 4242.8813)(311.9174, 594.7) 7 309.9053 309.9053@5.886837 + 637.3945@5.880349 5.880349 (638.4023, 1866.51)(639.40497, 1034.0575) 5 637.3945 637.3945@5.880349 + 834.5822@5.8786607 5.8786607 (835.5894, 5626.65)(836.588, 2355.09)(837.5848, 725.5) 1 834.5822 834.5822@5.8786607 + 679.4425@5.8835006 5.8835006 (680.4471, 3204.0967)(681.4519, 1329.0067) 3 679.4425 679.4425@5.8835006 + 717.4246@5.865113 5.865113 (718.43536, 2506.865)(719.43567, 917.655)(720.4387, 2253.1133)(721.4396, 713.26495)(740.4109, 2729.51)(741.4145, 1163.64)(742.4234, 1916.48) 6 717.4246 717.4246@5.865113 + 276.0978@5.9040284 5.9040284 (277.10458, 3156.0942)(278.1137, 589.06) 5 276.0978 276.0978@5.9040284 + 257.8918@5.8983574 5.8983574 (258.89917, 13202.498)(259.9028, 961.54504)(260.89795, 3955.0352) 7 257.8918 257.8918@5.8983574 + 701.459@5.9059334 5.9059334 (702.4667, 2533.8225)(703.47516, 1097.5399)(704.4679, 8045.75)(705.468, 3988.18) 4 701.459 701.459@5.9059334 + 907.5137@5.919475 5.919475 (908.5199, 5549.375)(909.52075, 3290.3198)(930.5068, 1202.68)(931.5126, 836.84) 2 907.5137 907.5137@5.919475 + 829.6489@5.9151354 5.9151354 (830.65533, 1717.7821)(831.6558, 776.4834)(832.65137, 1150.8125) 14 829.6489 829.6489@5.9151354 + 275.8647@5.909703 5.909703 (276.87177, 2816.114) 8 275.8647 275.8647@5.909703 + 609.7121@5.9125175 5.9125175 (610.71906, 1727.3633) 6 609.7121 609.7121@5.9125175 + 929.5814@5.9147162 5.9147162 (930.5898, 1843.6)(931.5828, 2162.61)(932.5814, 2528.12) 4 929.5814 929.5814@5.9147162 + 1081.5314@5.907664 5.907664 (1082.5387, 1110.47) 1 1081.5314 1081.5314@5.907664 + 611.7114@5.907664 5.907664 (612.7187, 989.71) 1 611.7114 611.7114@5.907664 + 525.7499@5.9151907 5.9151907 (526.7571, 2477.9639) 16 525.7499 525.7499@5.9151907 + 777.6364@5.909664 5.909664 (778.6437, 902.36) 1 777.6364 777.6364@5.909664 + 408.912@5.9186654 5.9186654 (409.9193, 1124.62) 1 408.912 408.912@5.9186654 + 955.497@5.9531813 5.9531813 (956.5044, 2530.6282)(957.5049, 1544.377)(958.51636, 1784.6067)(959.51776, 1257.4366)(960.53217, 1424.2334)(938.4976, 2128.4866)(939.49866, 1501.9199)(940.50415, 4040.025)(941.50684, 2717.4648)(942.51855, 3123.425) 10 955.497 955.497@5.9531813 + 460.9269@5.923666 5.923666 (461.9342, 1120.94) 1 460.9269 460.9269@5.923666 + 308.978@5.9394813 5.9394813 (309.9852, 3608.4648)(310.9888, 676.23)(311.9834, 955.96) 6 308.978 308.978@5.9394813 + C6 H15 O5 S2 5.952217 [ C6 H15 O5 S2, mfg=89.82, overall=89.82 ] (232.04433, 19742.137)(233.0475, 1170.0294)(234.04288, 2255.8289) 35 231.037 C6 H15 O5 S2 + 645.7497@5.9256663 5.9256663 (646.757, 813.62) 1 645.7497 645.7497@5.9256663 + 971.4842@5.9390206 5.9390206 (972.4954, 3186.9924)(973.50116, 1896.8535)(974.5106, 1792.3999)(975.5126, 773.62)(976.51526, 918.31)(954.4872, 1983.385)(955.48694, 1028.6951)(956.5068, 2683.67)(957.5063, 1371.02)(958.5106, 1736.5) 12 971.4842 971.4842@5.9390206 + 859.5182@5.953033 5.953033 (860.5268, 2524.7156)(861.5298, 1055.92)(862.533, 6858.785)(863.53827, 1473.99)(864.5309, 2999.58)(842.51624, 1888.3601)(843.51965, 1229.4575)(844.51965, 13823.617)(845.5262, 2099.8235)(846.54706, 6906.4453)(882.501, 8026.13)(883.5045, 3636.0)(884.5089, 4957.67)(885.5112, 2425.19)(886.5302, 2033.11) 7 859.5182 859.5182@5.953033 + 871.5526@5.9398875 5.9398875 (872.55115, 4846.9224)(873.5536, 2580.2727)(874.5737, 5039.11)(875.57794, 2964.665)(876.56836, 5359.605)(894.5436, 3806.91)(895.542, 2049.84)(896.5536, 2497.94) 4 871.5526 871.5526@5.9398875 + 934.5263@5.9503293 5.9503293 (935.5261, 1554.2833)(936.5403, 1473.855)(937.5382, 1680.48)(938.5493, 124.93)(957.5147, 1197.01) 3 934.5263 934.5263@5.9503293 + 293.0039@5.9451804 5.9451804 (294.01117, 2649.5583) 6 293.0039 293.0039@5.9451804 + 434.0714@5.9443574 5.9443574 (435.0785, 3354.8699)(436.0815, 803.03)(437.0766, 1040.31) 4 434.0714 434.0714@5.9443574 + 681.4559@5.947288 5.947288 (682.4647, 3569.165)(683.4626, 1623.39) 2 681.4559 681.4559@5.947288 + 705.3982@5.9464984 5.9464984 (706.4092, 2136.305)(707.4116, 1011.2767)(708.4085, 1378.54)(688.3989, 2157.6099)(689.4029, 1003.76)(690.3877, 1484.29) 4 705.3982 705.3982@5.9464984 + 376.9654@5.9441257 5.9441257 (377.97232, 3314.698)(378.97504, 859.385)(379.97223, 1083.375) 10 376.9654 376.9654@5.9441257 + 518.033@5.94096 5.94096 (519.04016, 1857.145) 2 518.033 518.033@5.94096 + 912.4784@5.918801 5.918801 (913.48126, 972.83997)(930.5155, 1766.08)(931.5088, 995.91)(932.5101, 382.56) 2 912.4784 912.4784@5.918801 + 799.3835@5.945848 5.945848 (800.3949, 1920.6025)(801.4017, 929.025)(802.39777, 1098.6066) 4 799.3835 799.3835@5.945848 + 731.3782@5.9489126 5.9489126 (732.3858, 4250.359)(733.3886, 1897.2256)(734.4005, 2361.5413)(735.411, 1107.6041)(736.4017, 819.4) 7 731.3782 731.3782@5.9489126 + 755.4091@5.9239016 5.9239016 (756.41785, 1389.26)(757.41705, 940.35)(758.4348, 1089.11) 2 755.4091 755.4091@5.9239016 + 259.8905@5.9182997 5.9182997 (260.89835, 1370.15) 2 259.8905 259.8905@5.9182997 + 360.9914@5.955354 5.955354 (361.99854, 2315.6155) 9 360.9914 360.9914@5.955354 + 715.4197@5.9584045 5.9584045 (716.4272, 11412.257)(717.43085, 3716.3325)(718.4324, 3750.5178)(719.4383, 2270.1833)(720.4295, 935.48)(733.4499, 1703.35)(734.4505, 1452.95)(738.4127, 1272.7625)(739.4197, 883.21)(740.4163, 1187.97) 11 715.4197 715.4197@5.9584045 + 545.8156@5.9446692 5.9446692 (546.8229, 1343.5) 1 545.8156 545.8156@5.9446692 + 655.4317@5.94767 5.94767 (656.4389, 2465.06)(657.4414, 907.57) 1 655.4317 655.4317@5.94767 + 393.8664@5.9153647 5.9153647 (394.87387, 2529.1968) 6 393.8664 393.8664@5.9153647 + 725.43@5.9629374 5.9629374 (726.4383, 4683.29)(727.4425, 2038.1525)(728.4272, 1946.505)(729.4304, 566.41)(708.4279, 1919.01)(709.4259, 957.07)(710.4402, 1907.25) 8 725.43 725.43@5.9629374 + C18 H17 Cl2 O S 5.9750967 [ C18 H17 Cl2 O S, mfg=47.61, overall=47.61 ] (352.04495, 3371.705) 21 351.0377 C18 H17 Cl2 O S + 703.4442@5.944976 5.944976 (704.46204, 12640.81)(705.4618, 5532.4224)(706.454, 3259.29)(707.4589, 499.09) 5 703.4442 703.4442@5.944976 + 715.4191@5.973235 5.973235 (716.42664, 20944.504)(717.43036, 5029.927)(718.4328, 4938.115)(719.4338, 2425.34)(720.4283, 1526.41) 4 715.4191 715.4191@5.973235 + 367.2718@5.9835176 5.9835176 (368.2792, 4928.04)(369.28275, 1514.8207)(390.2594, 601.13) 17 367.2718 367.2718@5.9835176 + 689.4604@5.9853616 5.9853616 (690.4682, 3101.901)(691.47217, 1573.121)(692.48083, 1113.554)(712.4534, 1857.135) 13 689.4604 689.4604@5.9853616 + 892.5767@5.995678 5.995678 (893.5839, 1158.18)(894.59, 925.03) 1 892.5767 892.5767@5.995678 + 679.4676@6.0009184 6.0009184 (680.4743, 6414.3896)(681.48706, 1363.94)(682.4931, 926.39)(702.4593, 3415.11) 2 679.4676 679.4676@6.0009184 + C32 H57 N3 O4 S2 6.0400176 [ C32 H57 N3 O4 S2, mfg=94.06, overall=94.06 ] (612.38666, 4599.8047)(613.38904, 1782.2301)(614.3889, 848.15) 11 611.3792 C32 H57 N3 O4 S2 + 624.3829@6.0681043 6.0681043 (625.3905, 1513.29) 2 624.3829 624.3829@6.0681043 + 639.4095@6.0523314 6.0523314 (640.4174, 6013.124)(641.4206, 1820.7357)(642.4241, 1022.33)(662.4017, 926.16) 8 639.4095 639.4095@6.0523314 + 689.461@6.0486054 6.0486054 (690.46954, 4158.85)(691.4702, 1707.29)(692.456, 1028.81)(712.4463, 1617.865)(713.4542, 1140.66)(714.4604, 1779.38) 2 689.461 689.461@6.0486054 + 327.0069@6.065692 6.065692 (328.0142, 1545.93) 1 327.0069 327.0069@6.065692 + 822.5436@6.069693 6.069693 (823.5524, 1402.19)(845.5315, 2225.66) 1 822.5436 822.5436@6.069693 + 691.4474@6.069693 6.069693 (692.4546, 4292.91)(693.4541, 1886.76) 1 691.4474 691.4474@6.069693 + 903.5333@6.0113144 6.0113144 (904.5464, 2826.415)(905.55115, 1007.22)(906.5659, 2140.76)(907.5726, 802.35)(886.5411, 2843.37)(887.5452, 1903.28)(888.5583, 1906.18)(889.5607, 941.56)(926.52765, 2455.14)(927.53076, 834.51)(928.5362, 3303.9)(929.5326, 1742.15)(930.5313, 2918.19) 2 903.5333 903.5333@6.0113144 + 815.6275@6.0141096 6.0141096 (816.6331, 3555.71)(817.63586, 1630.99)(818.63354, 5192.0303)(819.6373, 2323.755) 2 815.6275 815.6275@6.0141096 + 945.551@6.1611047 6.1611047 (946.55725, 1582.704)(947.5622, 1011.03204)(948.5428, 1034.1566)(928.5475, 3129.16)(929.5473, 1426.43)(930.5654, 957.06)(968.5365, 1244.25) 5 945.551 945.551@6.1611047 + 768.4376@6.022726 6.022726 (769.4438, 2063.46)(770.4458, 1634.435)(771.4471, 1086.07) 2 768.4376 768.4376@6.022726 + 698.4329@6.0092673 6.0092673 (699.43994, 3237.4167)(721.423, 636.64) 3 698.4329 698.4329@6.0092673 + 851.5291@6.0436645 6.0436645 (852.53735, 3856.2117)(853.53876, 2053.28)(854.5506, 3421.5142)(855.55457, 1442.4075)(856.56494, 2987.4023)(857.572, 745.51)(858.582, 1474.68)(859.5856, 616.38) 6 851.5291 851.5291@6.0436645 + 735.5144@6.0409527 6.0409527 (736.5205, 4227.5366)(737.52563, 1986.75)(738.5231, 839.71) 9 735.5144 735.5144@6.0409527 + 870.5442@6.082606 6.082606 (871.54785, 1295.1825)(872.5522, 399.76)(873.55554, 811.08997)(853.5352, 2313.86) 4 870.5442 870.5442@6.082606 + 845.5392@6.0053363 6.0053363 (846.54553, 9900.984)(847.5495, 4145.927)(848.55237, 4519.094)(849.55194, 1559.3044)(850.56165, 5010.855)(851.5559, 3403.74)(852.5687, 2197.16)(828.5347, 25319.05)(829.5382, 13152.09)(830.5484, 8363.02)(831.5537, 3083.51)(868.5299, 2874.06)(869.533, 1078.98)(870.5441, 1607.63)(871.5504, 425.37)(872.555, 1089.17) 11 845.5392 845.5392@6.0053363 + 909.5205@5.973636 5.973636 (910.5317, 4686.6235)(911.5348, 2180.7927)(912.5455, 3144.6128)(913.5469, 1123.196)(914.54474, 1676.6881)(892.5319, 1214.42)(932.51196, 2182.3823)(933.51953, 1136.7424)(934.527, 4361.1924)(935.53125, 2689.3198)(936.5443, 2783.8574)(937.553, 794.1)(938.5534, 1360.29) 7 909.5205 909.5205@5.973636 + 913.5598@6.0725737 6.0725737 (914.56146, 2241.9473)(915.5711, 1037.8328)(916.5826, 1490.6299)(896.5512, 2315.14) 7 913.5598 913.5598@6.0725737 + C34 H71 N2 O6 S3 6.039339 [ C34 H71 N2 O6 S3, mfg=88.95, overall=88.95 ] (700.4527, 13386.003)(701.4557, 5267.8145)(702.46423, 3011.101)(703.4693, 1205.46)(722.4332, 839.57) 20 699.4449 C34 H71 N2 O6 S3 + 850.5144@6.1268296 6.1268296 (851.5224, 1858.755) 2 850.5144 850.5144@6.1268296 + 960.6509@6.095435 6.095435 (961.6583, 4909.8916)(962.6618, 3005.5308)(963.6711, 2620.559)(964.67804, 1291.1849) 13 960.6509 960.6509@6.095435 + 697.429@6.0115 6.0115 (698.43677, 3969.0813)(699.4394, 1708.7485)(700.45233, 4438.0757)(701.4549, 1730.8519)(702.46405, 1570.4633) 15 697.429 697.429@6.0115 + C23 H16 N4 O3 6.1055307 [ C23 H16 N4 O3, mfg=76.75, overall=76.75 ] (397.12946, 4087.1157)(398.13306, 1334.0901) 17 396.122 C23 H16 N4 O3 + 899.514@6.0218706 6.0218706 (900.5184, 2193.745)(901.5194, 1434.795)(902.5359, 2016.9651)(882.5134, 2041.91)(883.51, 875.84)(884.5261, 2089.37) 2 899.514 899.514@6.0218706 + 998.6087@6.0806236 6.0806236 (999.61865, 2170.95)(1000.6248, 1352.56) 2 998.6087 998.6087@6.0806236 + 767.4326@6.12096 6.12096 (768.44116, 2864.7437)(769.44464, 1316.918)(770.4328, 1706.4122)(771.43195, 760.7)(772.4518, 1529.31)(790.4267, 1401.0599)(791.4399, 1068.56)(792.4408, 1321.71) 16 767.4326 767.4326@6.12096 + 934.6346@6.097 6.097 (935.64233, 3357.3367)(936.64514, 2127.9263) 6 934.6346 934.6346@6.097 + 733.4886@6.150365 6.150365 (734.4962, 4831.224)(735.4988, 2332.4321)(736.5038, 1180.9961)(756.4733, 2307.39)(757.48145, 1461.185)(758.472, 2086.73) 14 733.4886 733.4886@6.150365 + 707.4842@6.0994263 6.0994263 (708.4912, 7315.0483)(709.4948, 4476.5703)(710.4955, 2061.22)(725.5185, 1183.47) 6 707.4842 707.4842@6.0994263 + C22 H18 N O2 6.0866313 [ C22 H18 N O2, mfg=80.88, overall=40.44 ] (329.14203, 6598.7446)(330.1456, 1671.1217) 14 328.135 C22 H18 N O2 + C26 H16 N4 O5 6.105924 [ C26 H16 N4 O5, mfg=67.03, overall=67.03 ] (465.11664, 2952.2217)(447.1079, 3019.4849)(448.1119, 1243.93) 18 464.1097 C26 H16 N4 O5 + 824.4905@6.1051793 6.1051793 (825.4984, 4149.5264)(826.5067, 2900.284)(827.5071, 1983.21)(842.52, 1092.1799) 8 824.4905 824.4905@6.1051793 + 429.9059@6.1554646 6.1554646 (430.91312, 3453.182) 11 429.9059 429.9059@6.1554646 + 702.4255@6.1557155 6.1557155 (703.4328, 1327.51) 1 702.4255 702.4255@6.1557155 + 136.0247@6.1562877 6.1562877 (137.03195, 8120.2466)(138.03543, 715.125) 12 136.0247 136.0247@6.1562877 + 852.5257@6.1807823 6.1807823 (853.5373, 1916.512)(854.5492, 2733.34) 5 852.5257 852.5257@6.1807823 + 741.445@6.190159 6.190159 (742.4448, 2201.895)(743.45636, 1039.915)(759.4645, 878.36) 2 741.445 741.445@6.190159 + 687.3877@6.161703 6.161703 (688.3955, 10877.243)(689.39923, 4199.47)(690.4065, 2498.53)(710.3739, 701.5) 3 687.3877 687.3877@6.161703 + 795.4438@6.1871357 6.1871357 (796.4531, 935.76)(797.4431, 744.82495)(798.4498, 977.21) 2 795.4438 795.4438@6.1871357 + 902.5197@6.1721973 6.1721973 (903.52246, 2782.435)(904.5419, 1660.13) 2 902.5197 902.5197@6.1721973 + 496.0807@6.1749897 6.1749897 (497.08765, 4952.8726)(498.09164, 1403.5668) 4 496.0807 496.0807@6.1749897 + 837.5398@6.169005 6.169005 (838.5478, 1865.3066)(839.54767, 1383.3932)(840.56006, 1380.27)(860.52716, 2831.6099)(861.52844, 1163.37)(862.541, 2798.8)(863.5437, 1029.78)(864.5578, 3417.62) 3 837.5398 837.5398@6.169005 + 929.5543@6.2159863 6.2159863 (930.5601, 2241.7969)(931.5615, 1484.9733)(932.5758, 893.52)(912.5527, 3245.25)(913.5546, 1824.55)(914.5622, 2433.84) 3 929.5543 929.5543@6.2159863 + 886.4706@6.1647186 6.1647186 (887.4779, 1463.72)(888.482, 1278.03)(889.4919, 3042.21) 1 886.4706 886.4706@6.1647186 + 884.5195@6.1647186 6.1647186 (885.5268, 2458.04) 1 884.5195 884.5195@6.1647186 + 787.5316@6.1880736 6.1880736 (788.5405, 2038.2233)(789.5407, 1148.09)(790.558, 2323.0) 3 787.5316 787.5316@6.1880736 + 697.4253@6.157434 6.157434 (698.43195, 4824.35)(699.4349, 2077.0452) 6 697.4253 697.4253@6.157434 + 755.4701@6.172296 6.172296 (756.47473, 3596.3638)(757.47925, 1747.372)(758.46826, 1276.9701)(778.4602, 664.08) 15 755.4701 755.4701@6.172296 + 944.5359@6.1802616 6.1802616 (945.5443, 1502.46)(946.5551, 1220.6)(947.5563, 1171.93) 2 944.5359 944.5359@6.1802616 + 836.5022@6.174212 6.174212 (837.5051, 1566.46) 2 836.5022 836.5022@6.174212 + C20 H53 N21 O2 S2 6.1996703 [ C20 H53 N21 O2 S2, mfg=47.62, overall=47.62 ] (684.42114, 4336.009)(685.4257, 1947.5243)(686.4365, 5401.8525)(687.44037, 2626.1958)(701.4471, 977.83) 15 683.4145 C20 H53 N21 O2 S2 + 903.5447@6.1786513 6.1786513 (904.5516, 4559.9897)(905.5545, 1616.0067)(906.5674, 2223.3801)(886.5407, 5039.19)(887.5432, 3236.43)(888.5575, 2489.3)(926.5348, 2362.7)(927.5364, 1270.34)(928.5457, 2658.2)(929.5498, 738.3)(930.5572, 1495.27) 3 903.5447 903.5447@6.1786513 + 909.5345@6.182114 6.182114 (910.5396, 2629.7017)(911.5423, 1195.3517)(912.5533, 2194.9314)(913.5547, 1671.0967)(914.5671, 2125.9565)(915.5733, 1659.29)(932.51764, 986.635) 6 909.5345 909.5345@6.182114 + 957.5155@6.1741304 6.1741304 (958.5226, 1542.81)(959.5301, 1335.875)(960.53345, 1241.375)(961.5315, 866.28) 2 957.5155 957.5155@6.1741304 + 514.091@6.1679993 6.1679993 (515.0959, 1304.9159)(497.08762, 3466.93)(498.09045, 1006.15674) 5 514.091 514.091@6.1679993 + 928.5445@6.1664357 6.1664357 (929.551, 1700.0634)(930.56024, 1008.64)(931.5532, 725.47) 3 928.5445 928.5445@6.1664357 + 940.514@6.2375727 6.2375727 (941.5167, 1232.5) 2 940.514 940.514@6.2375727 + 378.115@6.1741548 6.1741548 (379.1219, 3836.7922)(380.12552, 1041.5366) 5 378.115 378.115@6.1741548 + 843.5266@6.2023926 6.2023926 (844.5315, 2657.3984)(845.53564, 1338.0767)(846.5454, 1589.99)(866.51794, 3410.4275)(867.5184, 2198.6199)(868.53033, 3713.8232)(869.53265, 1907.7051) 6 843.5266 843.5266@6.2023926 + 941.5227@6.217198 6.217198 (942.5308, 1682.3434)(943.5289, 1046.6934)(944.54407, 1041.25)(924.5182, 2250.06)(925.52136, 1326.49)(926.53577, 2309.7651)(927.53406, 878.16003)(928.55054, 2426.19) 3 941.5227 941.5227@6.217198 + 685.4306@6.1433496 6.1433496 (686.43774, 9961.126)(687.4407, 4084.9258)(688.44745, 2271.4517)(708.4205, 9101.563)(709.42584, 4219.6997)(710.4334, 2411.66) 10 685.4306 685.4306@6.1433496 + 897.5021@6.2391534 6.2391534 (898.5127, 4885.835)(899.506, 2598.15)(900.5209, 7945.635)(901.52075, 4754.685)(902.53455, 7103.8447) 2 897.5021 897.5021@6.2391534 + 328.1347@6.174177 6.174177 (329.14243, 5631.6016)(330.14536, 1085.142) 6 328.1347 328.1347@6.174177 + 68.0627@6.1706433 6.1706433 (69.06997, 3500.975)(86.0965, 77396.07)(87.0998, 5247.5)(91.0542, 1002.85) 4 68.0627 68.0627@6.1706433 + 625.3965@6.166374 6.166374 (626.40247, 12392.061)(627.4056, 2857.11)(648.3872, 13202.47)(649.3868, 4679.59) 2 625.3965 625.3965@6.166374 + 898.5678@6.166719 6.166719 (899.575, 870.04) 1 898.5678 898.5678@6.166719 + 932.618@6.1770496 6.1770496 (933.6234, 1591.4199)(934.6261, 1149.2244)(935.6418, 4413.068)(936.645, 2685.8826)(937.64935, 980.49335) 11 932.618 932.618@6.1770496 + 817.5094@6.167719 6.167719 (818.5167, 1110.73) 1 817.5094 817.5094@6.167719 + 850.4394@6.167719 6.167719 (851.4467, 2130.08)(852.4462, 1032.76)(853.458, 831.89) 1 850.4394 850.4394@6.167719 + 877.5389@6.265024 6.265024 (878.54767, 7028.0117)(879.5503, 3041.4316)(880.56085, 5500.346)(881.5627, 2467.01)(882.5772, 4796.532)(900.5221, 6237.3)(901.5249, 3206.895)(902.538, 7271.47)(903.5423, 3618.35)(904.5543, 3945.58) 6 877.5389 877.5389@6.265024 + 727.4213@6.1925554 6.1925554 (728.4366, 2718.16)(729.43066, 994.985)(730.425, 2459.89)(731.4361, 1029.59) 2 727.4213 727.4213@6.1925554 + 853.541@6.1786976 6.1786976 (854.54895, 5288.34)(855.55334, 2615.26)(856.5658, 3697.275)(857.5672, 987.43005)(876.5247, 3085.13) 2 853.541 853.541@6.1786976 + 942.4593@6.175833 6.175833 (943.46985, 1508.575)(944.4659, 976.95) 2 942.4593 942.4593@6.175833 + 711.3983@6.1687193 6.1687193 (712.4056, 2022.84)(713.4208, 925.68) 1 711.3983 711.3983@6.1687193 + 735.4102@6.175591 6.175591 (736.4196, 1699.8568)(737.4285, 1075.13)(738.4333, 3216.5066)(739.4343, 2056.785)(753.4536, 1393.48) 3 735.4102 735.4102@6.175591 + 800.4512@6.174884 6.174884 (801.4606, 1921.384)(802.4594, 1097.1699)(803.4547, 1386.52) 5 800.4512 800.4512@6.174884 + 669.3983@6.1594086 6.1594086 (670.40546, 3667.2249)(671.4094, 1870.86) 4 669.3983 669.3983@6.1594086 + 793.4356@6.1774035 6.1774035 (794.4473, 1579.21)(795.4451, 749.84753)(796.4506, 1231.4933) 5 793.4356 793.4356@6.1774035 + 531.1899@6.169322 6.169322 (532.1975, 3866.694)(533.2012, 1201.4824) 5 531.1899 531.1899@6.169322 + 583.3479@6.1698656 6.1698656 (584.35486, 8342.016)(585.3591, 2815.4)(606.3374, 6454.9)(607.3419, 2009.31) 2 583.3479 583.3479@6.1698656 + 663.3523@6.186675 6.186675 (664.36035, 2568.974)(665.36536, 1176.492) 5 663.3523 663.3523@6.186675 + 193.0151@6.186846 6.186846 (194.02242, 4067.245)(195.0265, 870.98) 6 193.0151 193.0151@6.186846 + 765.4215@6.1787643 6.1787643 (766.42664, 1536.345)(767.4351, 720.96497)(768.44, 1230.13) 2 765.4215 765.4215@6.1787643 + 308.9811@6.2050657 6.2050657 (309.98828, 1880.3845) 7 308.9811 308.9811@6.2050657 + 911.5475@6.2049794 6.2049794 (912.5532, 2753.9287)(913.5551, 1536.7463)(914.5647, 2134.3516)(915.5516, 1012.4)(934.5301, 1237.21)(935.5211, 595.83) 8 911.5475 911.5475@6.2049794 + 711.4113@6.2579794 6.2579794 (712.4162, 3359.4558)(713.4181, 1509.539)(714.42865, 4869.668)(715.4323, 3084.2297)(729.4471, 2984.08) 10 711.4113 711.4113@6.2579794 + C11 H19 Cl N4 O 6.2100983 [ C11 H19 Cl N4 O, mfg=66.07, overall=66.07 ] (259.1291, 5326.7817)(260.13876, 1217.9413)(261.1334, 1799.0) 10 258.1217 C11 H19 Cl N4 O + 731.4597@6.2127333 6.2127333 (732.467, 2593.12)(733.4825, 1335.15) 1 731.4597 731.4597@6.2127333 + 853.5457@6.213431 6.213431 (854.553, 4284.715)(855.5572, 2039.7734)(856.56805, 3853.9167)(857.5725, 1717.8351)(858.5822, 1484.8351) 6 853.5457 853.5457@6.213431 + 623.3795@6.2313166 6.2313166 (624.38635, 3445.7227)(625.39, 1404.1387)(646.3669, 1468.3301)(647.3725, 709.32) 7 623.3795 623.3795@6.2313166 + 441.3438@6.2574177 6.2574177 (442.35144, 2291.24)(443.35385, 854.32) 4 441.3438 441.3438@6.2574177 + 836.5968@6.3295717 6.3295717 (837.60516, 15522.537)(838.6086, 4949.154)(839.61206, 1529.8066)(840.6089, 287.92) 13 836.5968 836.5968@6.3295717 + 652.438@6.236741 6.236741 (653.4453, 1356.98) 1 652.438 652.438@6.236741 + 611.3787@6.2467446 6.2467446 (612.386, 2488.86)(613.3887, 1037.47) 1 611.3787 611.3787@6.2467446 + 685.4315@6.2156363 6.2156363 (686.438, 7843.55)(687.4418, 3301.44)(708.4225, 5425.5)(709.4252, 2724.86) 2 685.4315 685.4315@6.2156363 + 401.2772@6.2771397 6.2771397 (402.28436, 2115.7224)(403.28537, 850.4533) 4 401.2772 401.2772@6.2771397 + 635.3232@6.2867594 6.2867594 (636.3304, 1111.05) 1 635.3232 635.3232@6.2867594 + 657.3986@6.316254 6.316254 (658.4055, 6728.623)(659.4085, 2795.5732) 3 657.3986 657.3986@6.316254 + 872.5605@6.290761 6.290761 (873.5678, 2959.38) 1 872.5605 872.5605@6.290761 + 955.5067@6.2966514 6.2966514 (956.512, 1968.6666)(957.5166, 1122.6832)(958.5259, 1761.2351)(959.531, 884.53)(960.5394, 1501.91)(938.50555, 2002.405)(939.515, 1100.745)(940.51636, 3328.38)(941.5205, 1624.63)(942.5329, 2386.225) 6 955.5067 955.5067@6.2966514 + 767.4934@6.279489 6.279489 (768.50037, 3944.7202)(769.50586, 1807.15) 2 767.4934 767.4934@6.279489 + PE(20:0/15:0) 6.316049 C00350 PE(20:0/15:0) [ C40 H80 N O8 P, db=97.77, overall=48.89, KEGG ID=C00350, HMP ID=HMDB09219, METLIN ID=60625 ] (734.5689, 18501.133)(735.5722, 8042.374)(736.57544, 2556.1238)(737.5791, 609.5675)(756.5506, 4478.6436)(757.5547, 2205.4487)(758.5687, 11666.254)(759.57214, 5768.138) 9 733.5616 PE(20:0/15:0) HMDB09219 + 786.7397@6.292762 6.292762 (787.747, 823.89) 1 786.7397 786.7397@6.292762 + 575.1404@6.2977915 6.2977915 (576.1461, 1182.5801) 2 575.1404 575.1404@6.2977915 + 759.5775@6.3126473 6.3126473 (760.5847, 51794.527)(761.588, 21637.596)(762.5923, 6172.494)(763.59686, 1213.4719)(764.5995, 409.67)(782.5665, 9729.721)(783.5698, 3178.99)(784.5779, 1697.925)(785.5824, 394.95) 6 759.5775 759.5775@6.3126473 + 801.5093@6.307294 6.307294 (802.51886, 1659.4375)(803.52234, 918.95996)(804.5322, 1160.3966) 4 801.5093 801.5093@6.307294 + 719.4688@6.2997785 6.2997785 (720.47406, 6673.005)(721.47546, 2951.895)(722.4695, 4877.09)(742.4609, 1515.3) 2 719.4688 719.4688@6.2997785 + 882.575@6.2739573 6.2739573 (883.5796, 3138.0176)(884.5903, 1873.425)(885.597, 1189.09)(905.5568, 2118.53) 4 882.575 882.575@6.2739573 + 809.4572@6.242792 6.242792 (810.45776, 1105.825)(811.4695, 803.655)(812.4658, 1015.725) 2 809.4572 809.4572@6.242792 + 747.4613@6.310193 6.310193 (748.4652, 2149.825)(749.4689, 1170.96)(750.485, 3202.41)(751.4918, 607.68)(752.5156, 2493.55)(770.4484, 2098.58)(771.4629, 1158.45)(772.4595, 2078.16)(773.4725, 1089.77)(774.4672, 928.8) 2 747.4613 747.4613@6.310193 + 914.5617@6.2106338 6.2106338 (915.5705, 1941.8066)(916.5793, 1234.53)(917.5846, 1178.63)(937.5481, 1434.62) 3 914.5617 914.5617@6.2106338 + C43 H59 N6 O5 6.324331 [ C43 H59 N6 O5, mfg=65.99, overall=65.99 ] (740.4627, 4820.7676)(741.467, 2180.9663)(742.458, 1724.5511)(743.4592, 935.145)(744.4575, 2080.67)(745.46, 1020.38)(746.457, 3227.16)(722.4513, 4401.9)(723.454, 2363.47) 9 739.463 C43 H59 N6 O5 + 733.454@6.3285756 6.3285756 (734.4652, 5950.1396)(735.4664, 2563.4878)(736.4604, 3018.6667) 5 733.454 733.454@6.3285756 + 763.4935@6.309373 6.309373 (764.50336, 2650.5444)(765.5075, 1248.9171)(766.5023, 1761.975)(767.5337, 0.0)(786.48193, 1993.6425)(787.4832, 1186.42)(788.4772, 1128.635)(789.4797, 143.51)(790.4856, 1401.18) 7 763.4935 763.4935@6.309373 + 944.5445@6.297764 6.297764 (945.5517, 918.3)(946.5622, 851.52)(947.5661, 1143.34) 1 944.5445 944.5445@6.297764 + 903.5463@6.309837 6.309837 (904.5531, 4893.205)(905.5578, 1936.53)(906.568, 2874.085)(907.57166, 1046.435)(908.5766, 1829.75) 2 903.5463 903.5463@6.309837 + 643.3829@6.3070936 6.3070936 (644.39, 2430.685)(645.39417, 1057.655) 2 643.3829 643.3829@6.3070936 + 54.0465@6.3145714 6.3145714 (55.05378, 2723.2603) 5 54.0465 54.0465@6.3145714 + 451.2674@6.299764 6.299764 (903.5412, 2730.49)(452.2768, 1036.84) 1 451.2674 451.2674@6.299764 + 862.6093@6.301765 6.301765 (863.6165, 2202.74)(864.6266, 2224.92)(865.6293, 1198.53) 1 862.6093 862.6093@6.301765 + 714.428@6.3077793 6.3077793 (715.4361, 3657.3198) 2 714.428 714.428@6.3077793 + 399.2615@6.3078785 6.3078785 (400.26877, 2511.9624)(401.26883, 1233.76) 4 399.2615 399.2615@6.3078785 + 653.373@6.3193574 6.3193574 (654.3798, 2883.8276)(655.38165, 1414.4)(656.39215, 3229.595)(657.3948, 1003.88)(658.4062, 3703.41) 4 653.373 653.373@6.3193574 + 505.3156@6.306767 6.306767 (506.3229, 1480.93)(507.3255, 864.56) 1 505.3156 505.3156@6.306767 + 419.1704@6.3127637 6.3127637 (420.17798, 2419.54)(421.18304, 815.44) 3 419.1704 419.1704@6.3127637 + 691.442@6.326766 6.326766 (692.44934, 21000.371)(693.4522, 8012.6367)(694.4648, 18503.22)(695.4682, 7022.05)(714.4298, 7067.3765)(715.435, 4180.49)(716.4467, 25037.48)(717.4503, 10076.82)(718.4386, 11355.62)(719.4499, 2400.47)(720.4496, 10424.75) 10 691.442 691.442@6.326766 + 275.1192@6.3287015 6.3287015 (276.1267, 3747.2898) 8 275.1192 275.1192@6.3287015 + 746.4566@6.3227854 6.3227854 (747.4634, 1327.5349) 2 746.4566 746.4566@6.3227854 + 843.65@6.37383 6.37383 (844.6561, 1151.715)(845.6665, 894.83) 2 843.65 843.65@6.37383 + Ankorine 6.3399115 C09337 Ankorine [ C19 H29 N O4, mfg=63.58, db=63.45, overall=63.51, CAS ID=13849-54-2, KEGG ID=C09337, METLIN ID=64423 ] 13849-54-2 (336.2158, 3359.185)(337.21872, 1119.1466) 4 335.2077 Ankorine + Nadolol 6.3468485 C07249 Nadolol [ C17 H27 N O4, mfg=70.04, db=69.93, overall=69.99, CAS ID=42200-33-9, KEGG ID=C07249, METLIN ID=1382 ] 42200-33-9 (310.2017, 3646.9)(311.20337, 1022.88605) 5 309.1943 Nadolol + 369.1566@6.342782 6.342782 (370.1638, 1258.4) 1 369.1566 369.1566@6.342782 + 254.0904@6.3546023 6.3546023 (255.0979, 4760.455)(256.0996, 1588.8739) 11 254.0904 254.0904@6.3546023 + 863.6144@6.354787 6.354787 (864.6217, 1610.79) 1 863.6144 863.6144@6.354787 + 643.383@6.352784 6.352784 (644.3899, 3122.7349)(645.39355, 1483.63) 2 643.383 643.383@6.352784 + 735.4685@6.372123 6.372123 (736.47437, 4974.708)(737.47845, 2212.378)(738.4923, 3401.78)(758.4567, 2949.65)(759.4585, 924.41) 5 735.4685 735.4685@6.372123 + 705.4555@6.329259 6.329259 (706.46466, 4819.544)(707.46936, 1925.192)(708.48126, 4737.4165)(709.483, 4809.04)(710.475, 1264.39)(728.44763, 1391.175)(729.4501, 975.65)(730.4455, 1914.39)(731.4364, 615.42) 5 705.4555 705.4555@6.329259 + 427.2924@6.383613 6.383613 (428.3002, 2472.0151)(429.30096, 1088.28) 4 427.2924 427.2924@6.383613 + 863.6194@6.3721976 6.3721976 (864.6272, 2630.58)(865.6303, 1778.95) 2 863.6194 863.6194@6.3721976 + 821.5784@6.382237 6.382237 (822.5801, 3185.423)(823.586, 1810.3768) 6 821.5784 821.5784@6.382237 + 735.4688@6.3865037 6.3865037 (736.47656, 5009.014)(737.48, 2338.968)(738.4893, 1190.13)(758.4597, 2073.895)(759.46, 1286.27) 5 735.4688 735.4688@6.3865037 + 175.0303@6.3937197 6.3937197 (176.03749, 4785.6123)(177.0414, 665.72) 8 175.0303 175.0303@6.3937197 + 297.0814@6.393251 6.393251 (298.08865, 3924.9675) 4 297.0814 297.0814@6.393251 + 133.0196@6.39402 6.39402 (134.02693, 2735.245) 6 133.0196 133.0196@6.39402 + 239.0285@6.394445 6.394445 (240.03577, 12021.13)(241.03862, 1492.69)(242.03244, 1883.5756)(262.0176, 3151.2888)(263.02, 851.02) 17 239.0285 239.0285@6.394445 + 765.4791@6.4029274 6.4029274 (766.48444, 6305.4224)(767.48663, 3021.425)(768.47766, 1116.9661)(769.4686, 328.21) 8 765.4791 765.4791@6.4029274 + 369.1557@6.4041133 6.4041133 (370.16336, 3634.4934)(371.16504, 1008.62335)(392.1474, 1129.62) 3 369.1557 369.1557@6.4041133 + 805.5464@6.4794183 6.4794183 (806.5539, 5391.7065)(807.55743, 2704.8433)(828.5358, 1729.725)(829.53876, 1292.7124) 6 805.5464 805.5464@6.4794183 + 642.3716@6.4058094 6.4058094 (643.3789, 1703.0) 1 642.3716 642.3716@6.4058094 + 675.4111@6.4615574 6.4615574 (676.41797, 9951.71)(677.421, 3709.9734)(678.4057, 1458.33)(698.4044, 1615.13) 3 675.4111 675.4111@6.4615574 + 635.3802@6.444047 6.444047 (636.3882, 66447.02)(637.39136, 23724.773)(638.39465, 7330.9297)(639.3974, 883.44)(658.37036, 6233.403)(659.37726, 3640.9033)(660.38293, 3790.2798) 17 635.3802 635.3802@6.444047 + 833.577@6.439365 6.439365 (834.58453, 7347.945)(835.5882, 3823.709)(856.5675, 1338.01)(857.5703, 1651.97) 12 833.577 833.577@6.439365 + Nadolol + 6.457579 6.457579 C07249 Nadolol [ C17 H27 N O4, mfg=89.26, db=89.26, overall=89.26, CAS ID=42200-33-9, KEGG ID=C07249, METLIN ID=1382 ] 42200-33-9 (310.20093, 12669.437)(311.20428, 2700.0923)(312.2103, 981.43) 4 309.1937 Nadolol + 6.457579 + 643.3818@6.4686394 6.4686394 (644.3894, 8140.04)(645.39355, 3481.765)(646.4005, 1276.75) 2 643.3818 643.3818@6.4686394 + 217.1315@6.4827967 6.4827967 (218.13887, 9035.183)(219.14246, 1486.393)(220.1397, 787.59) 10 217.1315 217.1315@6.4827967 + 159.101@6.4846344 6.4846344 (160.1083, 8844.887)(161.10852, 1259.015)(162.112, 990.92) 11 159.101 159.101@6.4846344 + C28 H63 N12 O3 S3 6.489138 [ C28 H63 N12 O3 S3, mfg=85.88, overall=42.94 ] (712.4371, 4315.102)(713.44305, 1738.2439)(714.4377, 1067.2032) 6 711.4303 C28 H63 N12 O3 S3 + 703.4066@6.5981097 6.5981097 (704.41406, 3111.8328)(705.423, 1357.4357)(706.42944, 1625.4967)(707.4315, 715.37)(708.4351, 4979.03)(726.4024, 820.0) 7 703.4066 703.4066@6.5981097 + 117.0787@6.5057993 6.5057993 (118.08599, 40936.664)(119.08908, 3123.9355)(120.09985, 842.845)(100.076355, 8923.525) 9 117.0787 117.0787@6.5057993 + 254.0904@6.5056696 6.5056696 (255.0978, 3002.2458)(256.102, 871.57) 9 254.0904 254.0904@6.5056696 + 683.34@6.506561 6.506561 (684.34753, 2337.4229)(685.3511, 943.89996) 7 683.34 683.34@6.506561 + 701.5551@6.5058594 6.5058594 (702.5624, 4661.49) 1 701.5551 701.5551@6.5058594 + 601.3348@6.521839 6.521839 (602.34314, 3225.005)(603.3458, 1637.16)(604.3582, 848.63) 2 601.3348 601.3348@6.521839 + 217.1321@6.5168657 6.5168657 (218.1393, 6407.66)(219.1412, 577.71) 1 217.1321 217.1321@6.5168657 + 822.5821@6.4987354 6.4987354 (823.58655, 2141.57) 2 822.5821 822.5821@6.4987354 + 747.4452@6.5208683 6.5208683 (748.4525, 2443.4)(749.4755, 625.42) 1 747.4452 747.4452@6.5208683 + 895.5413@6.5328746 6.5328746 (896.5486, 17786.65)(897.5517, 9344.53)(898.561, 5237.7)(899.5651, 1587.62)(918.5309, 1993.85)(919.5351, 1184.64) 1 895.5413 895.5413@6.5328746 + 314.1377@6.5376477 6.5376477 (315.14502, 5201.2373)(316.14822, 1470.03) 14 314.1377 314.1377@6.5376477 + 633.3646@6.540149 6.540149 (634.3714, 4995.2817)(635.37555, 2003.8059) 6 633.3646 633.3646@6.540149 + 702.4566@6.5333924 6.5333924 (703.4638, 1645.8601)(704.4542, 1495.56) 2 702.4566 702.4566@6.5333924 + Urocortisol 6.556257 C05472 Urocortisol [ C21 H34 O5, mfg=47.40, db=70.10, overall=58.75, Lipid ID=LMST02030099, KEGG ID=C05472, METLIN ID=41873 ] (384.27417, 4524.686)(385.27713, 1525.1133) 18 383.2668 Urocortisol + LMST02030099 707.4236@6.552886 6.552886 (708.4309, 4234.9)(709.4158, 1401.37) 1 707.4236 707.4236@6.552886 + 674.5351@6.553887 6.553887 (675.5424, 2958.49)(676.5457, 1305.51) 1 674.5351 674.5351@6.553887 + 527.2877@6.5698624 6.5698624 (528.2938, 2138.452)(529.29944, 946.58997)(550.2756, 1026.515) 5 527.2877 527.2877@6.5698624 + 577.3385@6.590757 6.590757 (578.3452, 3806.4)(579.3544, 1291.0399)(600.3295, 1223.94) 5 577.3385 577.3385@6.590757 + 285.1942@6.5859056 6.5859056 (286.2014, 6803.22) 1 285.1942 285.1942@6.5859056 + 773.4753@6.5879064 6.5879064 (774.4826, 1718.79)(775.4828, 835.87)(776.4679, 1058.94) 1 773.4753 773.4753@6.5879064 + 803.5278@6.5889072 6.5889072 (804.5351, 1078.16) 1 803.5278 803.5278@6.5889072 + 691.4082@6.530522 6.530522 (692.41565, 6317.135)(693.4177, 2316.0818)(694.4256, 1488.7001)(674.4043, 2607.84)(675.4111, 1337.59)(714.40076, 2823.51)(715.3962, 1578.11) 15 691.4082 691.4082@6.530522 + 695.4436@6.5972595 6.5972595 (696.45105, 4540.865)(697.4477, 1980.285)(698.4384, 661.63) 2 695.4436 695.4436@6.5972595 + 681.3633@6.596344 6.596344 (682.37427, 2915.5022)(683.37445, 1258.6799) 5 681.3633 681.3633@6.596344 + 675.3756@6.5959115 6.5959115 (676.3829, 1562.47) 1 675.3756 675.3756@6.5959115 + 387.2973@6.602798 6.602798 (388.30466, 1746.1566)(389.3072, 825.51) 3 387.2973 387.2973@6.602798 + 663.4097@6.6099215 6.6099215 (664.41785, 9191.23)(665.42224, 3661.225)(666.4342, 1686.97)(646.4023, 2569.96) 2 663.4097 663.4097@6.6099215 + 751.4972@6.609766 6.609766 (752.5043, 5989.6553)(753.5069, 2665.8198) 2 751.4972 751.4972@6.609766 + 605.441@6.5724792 6.5724792 (606.4481, 2433.975)(607.4516, 893.17) 2 605.441 605.441@6.5724792 + 577.3381@6.6359887 6.6359887 (578.3442, 5436.6304)(579.3508, 3792.655)(600.3295, 6596.1)(601.3329, 2372.96)(602.3455, 3192.96)(603.3479, 839.34) 5 577.3381 577.3381@6.6359887 + 373.246@6.629893 6.629893 (374.25333, 1800.7533) 3 373.246 373.246@6.629893 + 565.3694@6.636173 6.636173 (566.3768, 10611.515)(567.38025, 3436.768)(588.358, 2049.7)(589.355, 1142.09) 11 565.3694 565.3694@6.636173 + 662.3958@6.6349354 6.6349354 (663.4031, 1364.24) 1 662.3958 662.3958@6.6349354 + 749.4601@6.6358433 6.6358433 (750.46313, 5678.877)(751.46826, 2378.1167)(752.4524, 1222.8)(772.4459, 2274.7852)(773.4496, 1557.09) 3 749.4601 749.4601@6.6358433 + 773.4691@6.6369367 6.6369367 (774.4763, 2459.82)(775.4847, 983.93) 1 773.4691 773.4691@6.6369367 + 902.5328@6.643897 6.643897 (903.5397, 2528.17)(904.55005, 1150.815)(905.557, 616.71497)(885.5274, 1098.87)(925.5214, 1157.25)(926.5301, 500.94) 2 902.5328 902.5328@6.643897 + 703.5704@6.6458907 6.6458907 (704.57733, 17469.588)(705.5824, 5934.285)(726.5594, 7682.889)(727.565, 2192.55)(728.57776, 880.845) 3 703.5704 703.5704@6.6458907 + C24 H49 N19 O S 6.6434994 [ C24 H49 N19 O S, mfg=95.45, overall=95.45 ] (652.41595, 16166.524)(653.41864, 6250.6787)(654.41675, 1656.1733)(674.40106, 8011.5547)(675.40564, 3336.1777)(676.41254, 3633.2034)(677.3966, 1182.81) 9 651.4104 C24 H49 N19 O S + 69.089@6.652828 6.652828 (70.09632, 1781.2775) 4 69.089 69.089@6.652828 + 733.561@6.644942 6.644942 (734.568, 6049.66)(756.5506, 1637.89)(757.5536, 694.79)(758.5677, 685.75) 1 733.561 733.561@6.644942 + 656.3476@6.644942 6.644942 (657.3549, 1548.77) 1 656.3476 656.3476@6.644942 + 646.3714@6.6459427 6.6459427 (647.3787, 1885.66)(648.3813, 413.23)(649.3671, 283.61) 1 646.3714 646.3714@6.6459427 + 700.551@6.6459427 6.6459427 (701.5584, 17452.36)(702.5618, 7202.74)(723.5401, 6524.48)(724.54, 3432.78) 1 700.551 700.551@6.6459427 + 975.5307@6.6459427 6.6459427 (976.538, 1058.76) 1 975.5307 975.5307@6.6459427 + 973.513@6.647334 6.647334 (974.52, 961.19006)(975.5234, 720.66)(976.5409, 791.09)(956.5101, 1056.45)(957.5086, 772.11)(958.5231, 1366.88) 2 973.513 973.513@6.647334 + 527.3216@6.6456466 6.6456466 (528.3289, 2894.46)(529.33405, 1045.755)(530.3306, 936.99)(550.3112, 905.74) 3 527.3216 527.3216@6.6456466 + 696.5171@6.638649 6.638649 (697.5246, 2056.6702)(698.52893, 1005.0475)(699.5383, 866.39) 5 696.5171 696.5171@6.638649 + 883.5189@6.7026663 6.7026663 (884.51514, 2070.9702)(885.5182, 1410.5441)(886.5307, 1956.75)(887.53503, 803.67004)(888.5564, 477.72) 5 883.5189 883.5189@6.7026663 + 630.3233@6.652635 6.652635 (631.33044, 2291.864)(632.3454, 2034.485) 10 630.3233 630.3233@6.652635 + 665.4127@6.6509457 6.6509457 (666.42, 1322.68)(667.4272, 1031.95)(668.4235, 7199.29)(669.4278, 2568.87) 1 665.4127 665.4127@6.6509457 + 723.4664@6.6618576 6.6618576 (724.4703, 5780.9087)(725.4738, 2292.5051)(726.4722, 2086.35)(746.45496, 5114.627)(747.45917, 2204.095)(748.44257, 1973.5824) 8 723.4664 723.4664@6.6618576 + 647.3396@6.644576 6.644576 (648.3429, 2999.145)(649.34735, 1083.4733) 4 647.3396 647.3396@6.644576 + 588.8473@6.654948 6.654948 (589.8546, 1067.34) 1 588.8473 588.8473@6.654948 + 588.3492@6.655964 6.655964 (1177.6996, 666.41)(589.3553, 2425.5718) 5 588.3492 588.3492@6.655964 + 1066.6923@6.656336 6.656336 (1067.699, 3457.3276)(1068.7028, 2004.8494)(1069.7142, 2526.3298)(1070.7181, 1385.0944)(1071.7198, 519.7)(1089.6855, 1030.43) 13 1066.6923 1066.6923@6.656336 + 737.4745@6.672661 6.672661 (738.4802, 3193.9932)(739.4868, 1562.5801) 3 737.4745 737.4745@6.672661 + 707.4361@6.6650934 6.6650934 (708.4421, 6950.444)(709.44574, 3073.6099)(710.4322, 1994.2001)(730.4253, 6060.247)(731.4294, 2996.093)(732.4414, 3653.6) 10 707.4361 707.4361@6.6650934 + 724.4708@6.66265 6.66265 (725.4784, 5297.0273)(726.4749, 2088.0725) 4 724.4708 724.4708@6.66265 + 579.4145@6.6712 6.6712 (580.42004, 23447.033)(581.4239, 8386.345)(582.4242, 13123.415)(583.4269, 4041.12)(584.4271, 690.565) 5 579.4145 579.4145@6.6712 + 611.3191@6.664731 6.664731 (612.326, 3494.715)(613.33, 1269.1957)(614.34076, 2070.9734)(615.3459, 450.88663)(616.3607, 551.766) 16 611.3191 611.3191@6.664731 + 720.5788@6.6531157 6.6531157 (721.5863, 1024.13) 2 720.5788 720.5788@6.6531157 + C19 H43 N16 O7 6.6381493 [ C19 H43 N16 O7, mfg=68.75, overall=68.75 ] (608.35535, 7362.5947)(609.3651, 2282.2756) 14 607.348 C19 H43 N16 O7 + 737.4808@6.6867623 6.6867623 (738.488, 3352.0964)(739.48956, 1703.9933) 3 737.4808 737.4808@6.6867623 + 724.471@6.694975 6.694975 (725.4783, 3427.44) 1 724.471 724.471@6.694975 + 579.4199@6.6560135 6.6560135 (580.4272, 27245.275)(581.432, 8863.326)(582.4246, 17813.76)(583.4274, 5889.25)(584.4311, 1037.92) 5 579.4199 579.4199@6.6560135 + 641.2394@6.703981 6.703981 (642.2466, 2667.2)(643.2531, 1156.79) 1 641.2394 641.2394@6.703981 + 682.2408@6.7049823 6.7049823 (683.2481, 1220.48) 1 682.2408 682.2408@6.7049823 + 573.4714@6.7059827 6.7059827 (574.4787, 1160.22) 1 573.4714 573.4714@6.7059827 + 743.4335@6.6855793 6.6855793 (744.4409, 7194.431)(745.44507, 3179.538)(746.4534, 2544.26)(747.4595, 952.16)(726.4284, 2455.9666)(727.4336, 1393.13)(728.41455, 1689.0502) 12 743.4335 743.4335@6.6855793 + 756.4287@6.7059827 6.7059827 (757.4372, 1130.9)(774.4605, 1281.98) 1 756.4287 756.4287@6.7059827 + 688.5504@6.7232475 6.7232475 (689.5587, 3906.175)(690.56085, 1801.775)(691.5633, 811.77)(711.53754, 1645.34)(712.5429, 1020.27) 2 688.5504 688.5504@6.7232475 + 762.4464@6.707984 6.707984 (763.4587, 2728.54)(745.4403, 3712.02)(746.4513, 3441.46)(747.4547, 1550.16) 1 762.4464 762.4464@6.707984 + 815.4449@6.6770225 6.6770225 (816.4477, 1176.475)(817.4353, 681.235)(818.461, 1097.58) 2 815.4449 815.4449@6.6770225 + 572.3644@6.708985 6.708985 (573.3716, 11860.05) 1 572.3644 572.3644@6.708985 + 657.3671@6.730804 6.730804 (658.38025, 2920.78)(659.38007, 1440.4551)(660.386, 2796.66) 2 657.3671 657.3671@6.730804 + 809.5892@6.7099853 6.7099853 (810.5964, 7796.35)(811.602, 2323.99)(812.606, 1331.77) 1 809.5892 809.5892@6.7099853 + 721.4269@6.731413 6.731413 (722.42975, 7584.9585)(723.43604, 3324.6516)(724.4448, 1002.92) 6 721.4269 721.4269@6.731413 + 720.5813@6.709734 6.709734 (721.5895, 1305.755)(722.5853, 993.94) 2 720.5813 720.5813@6.709734 + 641.3554@6.7051 6.7051 (642.36926, 2069.8442)(643.3693, 842.37195)(644.36316, 1422.73)(645.353, 482.54) 7 641.3554 641.3554@6.7051 + 665.3605@6.712251 6.712251 (666.36176, 2001.6266)(667.37134, 1164.8434)(668.3778, 4551.82) 3 665.3605 665.3605@6.712251 + 720.4401@6.698009 6.698009 (721.4473, 2201.67) 4 720.4401 720.4401@6.698009 + 817.4427@6.7139883 6.7139883 (818.45, 1784.23) 1 817.4427 817.4427@6.7139883 + 955.5055@6.712245 6.712245 (956.5142, 1035.88)(957.5214, 851.105)(958.52625, 1647.165)(959.5283, 854.125)(960.5422, 225.11) 2 955.5055 955.5055@6.712245 + 380.1482@6.7159896 6.7159896 (381.1554, 1756.62) 1 380.1482 380.1482@6.7159896 + 145.1101@6.715746 6.715746 (146.1175, 12715.815)(147.1194, 1143.89) 2 145.1101 145.1101@6.715746 + 771.4317@6.7332516 6.7332516 (772.43835, 2150.915)(773.4429, 967.2825)(774.4431, 1177.8866)(754.4299, 2018.54)(755.4305, 1670.73)(756.4326, 2678.06) 4 771.4317 771.4317@6.7332516 + 602.2927@6.71699 6.71699 (603.3, 1769.25) 1 602.2927 602.2927@6.71699 + 668.3444@6.71699 6.71699 (669.3517, 4379.72)(670.3563, 2060.17) 1 668.3444 668.3444@6.71699 + 629.4377@6.67015 6.67015 (630.4452, 3359.1738)(631.4478, 1395.1868)(632.4553, 1646.7423)(633.4572, 808.65)(634.4669, 3211.4) 20 629.4377 629.4377@6.67015 + 776.9815@6.718543 6.718543 (777.9887, 5722.738)(778.9922, 2985.2188)(780.0041, 14988.59)(781.0058, 6747.44) 8 776.9815 776.9815@6.718543 + 741.4221@6.700703 6.700703 (742.42914, 2667.8477)(743.43225, 1412.2412)(744.4402, 7868.54)(745.4423, 3682.42) 9 741.4221 741.4221@6.700703 + 728.5826@6.7199926 6.7199926 (729.5902, 2026.21)(730.5915, 1559.21)(731.6025, 367.03)(751.5702, 1312.44) 1 728.5826 728.5826@6.7199926 + 575.2723@6.84387 6.84387 (576.2794, 2927.9675)(577.2831, 1052.8099)(578.2689, 1525.725)(593.307, 1018.37) 12 575.2723 575.2723@6.84387 + 687.3974@6.721994 6.721994 (688.4047, 2220.19)(689.4118, 1089.89)(690.3955, 1615.58) 1 687.3974 687.3974@6.721994 + 617.2399@6.721994 6.721994 (618.2472, 1835.01) 1 617.2399 617.2399@6.721994 + 765.4801@6.7228374 6.7228374 (766.48785, 4342.7075)(767.4918, 1054.7375)(783.5143, 613.49) 4 765.4801 765.4801@6.7228374 + 898.5862@6.721994 6.721994 (899.5935, 1388.75) 1 898.5862 898.5862@6.721994 + 924.5228@6.7239957 6.7239957 (925.5301, 869.01)(926.5313, 615.1) 1 924.5228 924.5228@6.7239957 + 973.5152@6.710079 6.710079 (974.5242, 1149.115)(975.5246, 1188.655)(976.5399, 717.495) 2 973.5152 973.5152@6.710079 + 848.586@6.724996 6.724996 (849.5942, 3545.82)(850.5907, 2236.12)(871.5736, 2849.01)(872.5723, 1241.38) 1 848.586 848.586@6.724996 + 790.9958@6.7527647 6.7527647 (792.0026, 9277.308)(793.0101, 8455.233)(794.0196, 28616.83)(795.0222, 10972.57)(813.9941, 1333.2) 5 790.9958 790.9958@6.7527647 + 764.9817@6.7235794 6.7235794 (765.98846, 1892.3766)(766.9907, 898.0234) 3 764.9817 764.9817@6.7235794 + 843.5172@6.7216434 6.7216434 (844.52344, 1784.8932)(845.5009, 732.03) 3 843.5172 843.5172@6.7216434 + 535.3617@6.7269974 6.7269974 (1093.7128, 3894.49)(1094.7134, 2104.66)(1095.7257, 2443.89)(1096.7314, 958.79)(536.3699, 14227.68)(558.3496, 4481.65)(559.3521, 1917.78) 1 535.3617 535.3617@6.7269974 + 1041.1803@6.7340107 6.7340107 (1042.1864, 6012.428)(1043.1893, 1891.926)(1064.1722, 9569.647)(1065.1769, 5857.3267)(1066.1863, 12246.93)(1067.1929, 5684.66)(1068.2023, 4440.1) 6 1041.1803 1041.1803@6.7340107 + 1096.7339@6.7320595 6.7320595 (1097.7407, 3302.1497)(1098.7443, 2247.7168)(1099.7466, 1254.03) 3 1096.7339 1096.7339@6.7320595 + 604.404@6.7384377 6.7384377 (605.41077, 3155.905) 2 604.404 604.404@6.7384377 + 1040.168@6.7347836 6.7347836 (1041.1761, 1715.3667) 3 1040.168 1040.168@6.7347836 + 723.4548@6.6949763 6.6949763 (724.4636, 3088.03)(725.46906, 1315.3766) 3 723.4548 723.4548@6.6949763 + 761.4475@6.715162 6.715162 (762.4522, 4378.7085)(763.4566, 2548.664)(764.45215, 2259.795)(784.4397, 3299.235)(785.442, 1632.485)(786.456, 863.47) 7 761.4475 761.4475@6.715162 + 857.034@6.733686 6.733686 (858.0308, 2118.8416)(859.02356, 1368.3821)(859.9939, 1597.29) 6 857.034 857.034@6.733686 + 856.0226@6.740007 6.740007 (857.0299, 1486.09) 1 856.0226 856.0226@6.740007 + 1168.722@6.7373447 6.7373447 (1169.7285, 2219.32)(1170.7258, 1496.6725) 4 1168.722 1168.722@6.7373447 + 1060.7393@6.7374573 6.7374573 (1061.7458, 5876.8745)(1062.746, 3832.373)(1063.7499, 3801.1965)(1083.729, 5774.783)(1084.7283, 3423.2834) 25 1060.7393 1060.7393@6.7374573 + 1038.6611@6.749065 6.749065 (1039.6691, 115237.18)(1040.6732, 66152.89)(1041.6852, 300436.72)(1042.6897, 132584.3) 6 1038.6611 1038.6611@6.749065 + 849.5089@6.733289 6.733289 (850.5172, 2164.654)(851.52374, 1381.6685)(852.51733, 1580.2775)(853.5075, 579.89)(854.5204, 575.88)(832.5066, 2031.27)(833.5005, 1135.18)(834.4845, 1623.69) 7 849.5089 849.5089@6.733289 + C28 H55 N3 O9 S 6.760939 [ C28 H55 N3 O9 S, mfg=98.47, overall=98.47 ] (610.3738, 29688.727)(611.3772, 9644.959)(612.37616, 3143.813)(613.3735, 352.44)(632.3512, 4692.09)(633.35504, 1812.4701) 11 609.3645 C28 H55 N3 O9 S + 539.3721@6.7480125 6.7480125 (540.3793, 5292.96)(541.3829, 1688.89) 1 539.3721 539.3721@6.7480125 + 1195.7324@6.758479 6.758479 (1196.7375, 2401.54)(1197.741, 1607.6)(1198.7454, 812.79) 2 1195.7324 1195.7324@6.758479 + 1111.1853@6.748097 6.748097 (1112.2006, 1934.6356)(1113.2035, 1591.3011)(1114.1903, 2026.1525)(1115.1819, 1130.42)(1116.172, 670.6)(1134.1746, 1192.42)(1135.1873, 1164.37) 9 1111.1853 1111.1853@6.748097 + 1076.2028@6.747988 6.747988 (1077.2098, 1869.7738)(1078.1973, 1572.9701)(1079.1951, 2074.365)(1099.1948, 2756.0203)(1100.1924, 1607.95) 8 1076.2028 1076.2028@6.747988 + 1126.6637@6.7393303 6.7393303 (1127.6716, 2067.07)(1128.6704, 1563.9451)(1129.6665, 1760.47)(1130.663, 1005.91)(1131.6584, 1473.82) 2 1126.6637 1126.6637@6.7393303 + 1130.6935@6.744135 6.744135 (1131.7073, 2165.1218)(1132.7136, 1903.3969)(1133.7198, 2335.712)(1134.7295, 1412.52)(1135.714, 529.97) 6 1130.6935 1130.6935@6.744135 + 1084.6809@6.748351 6.748351 (1085.6858, 5284.23)(1086.686, 3348.06)(1087.678, 3066.295) 4 1084.6809 1084.6809@6.748351 + 876.9866@6.754017 6.754017 (877.9939, 1551.56) 1 876.9866 876.9866@6.754017 + 1153.6769@6.7387185 6.7387185 (1154.6979, 1590.0299)(1155.7096, 1489.6599)(1156.7173, 1192.62)(1136.6744, 12301.95)(1137.6821, 7519.66)(1138.6858, 3766.43) 3 1153.6769 1153.6769@6.7387185 + 806.6264@6.8500304 6.8500304 (807.6346, 1377.2833)(808.6332, 1124.305) 3 806.6264 806.6264@6.8500304 + 1131.2104@6.759041 6.759041 (1132.2155, 2139.1475)(1133.2217, 2118.62)(1134.2303, 2170.78) 4 1131.2104 1131.2104@6.759041 + 1101.6931@6.7576585 6.7576585 (1102.6982, 3156.2195)(1103.7046, 3070.04)(1104.7047, 1987.6901) 12 1101.6931 1101.6931@6.7576585 + 1067.6974@6.7573447 6.7573447 (1068.704, 94912.98) 3 1067.6974 1067.6974@6.7573447 + 885.5338@6.761022 6.761022 (886.541, 3180.43)(887.5444, 915.86)(888.5482, 1095.83) 1 885.5338 885.5338@6.761022 + 1066.6927@6.7565618 6.7565618 (1067.7003, 200641.05)(1068.7048, 127178.375)(1069.7158, 297353.78)(1070.7194, 160540.52)(1071.7231, 51454.363)(1072.7269, 13444.302)(1073.7328, 3969.9514)(1074.7284, 1221.88) 11 1066.6927 1066.6927@6.7565618 + 869.0219@6.7646217 6.7646217 (870.02997, 1794.6266)(871.0342, 1351.23) 3 869.0219 869.0219@6.7646217 + 1588.0378@6.76229 6.76229 (1589.0442, 4428.483)(1590.0499, 3917.4294)(1591.06, 7921.501)(1592.0648, 6847.568)(1593.074, 8006.5947)(1594.08, 5223.65)(1595.0817, 2260.3499)(1611.0294, 2080.86)(1612.0344, 2207.56) 16 1588.0378 1588.0378@6.76229 + 1166.629@6.726251 6.726251 (1167.6339, 1093.0299)(1168.6433, 1079.3734)(1169.6462, 1226.69) 3 1166.629 1166.629@6.726251 + 515.2991@6.768565 6.768565 (516.306, 5068.13)(517.3124, 1725.365) 2 515.2991 515.2991@6.768565 + 631.3808@6.7245736 6.7245736 (1263.769, 2185.22)(1264.7727, 1497.67)(1265.7828, 1410.41)(632.38696, 5248.1265)(633.39, 2035.49)(634.4002, 3915.66) 3 631.3808 631.3808@6.7245736 + 1123.6648@6.7618265 6.7618265 (1124.6836, 1515.375)(1125.6918, 1522.325)(1126.6798, 1504.79)(1141.6943, 2078.31)(1142.6956, 1454.32) 2 1123.6648 1123.6648@6.7618265 + 863.55@6.7710295 6.7710295 (864.5573, 5066.01)(865.5599, 1938.84)(866.5637, 1458.88) 1 863.55 863.55@6.7710295 + 830.4654@6.7554507 6.7554507 (831.4819, 1311.1866)(832.4925, 1102.16)(833.4959, 1241.39)(848.50476, 2849.8)(849.5152, 2575.43)(850.4917, 6360.52)(851.499, 3529.27)(852.5148, 2607.7) 3 830.4654 830.4654@6.7554507 + 1081.6779@6.7720304 6.7720304 (1082.685, 3606.12) 1 1081.6779 1081.6779@6.7720304 + 1075.6678@6.749537 6.749537 (1076.6832, 5417.3076)(1077.6896, 6137.4673)(1078.6923, 11888.415)(1098.6793, 6144.775)(1099.6863, 4396.45)(1100.685, 2760.72) 12 1075.6678 1075.6678@6.749537 + 799.5106@6.7732286 6.7732286 (800.51843, 2574.814)(801.52673, 1969.708)(822.4969, 1283.18) 5 799.5106 799.5106@6.7732286 + 1030.6935@6.7766247 6.7766247 (1031.7003, 7696.4937)(1032.7026, 4048.4568)(1033.7169, 7721.76)(1034.721, 4305.0166)(1035.7233, 1516.4526)(1053.6831, 9490.018)(1054.6903, 7498.8965)(1055.6993, 7218.63)(1056.7032, 4039.68)(1057.6925, 1564.35) 11 1030.6935 1030.6935@6.7766247 + 820.4985@6.7751083 6.7751083 (821.5058, 4768.65)(822.51953, 2673.0867)(823.5012, 1090.68) 3 820.4985 820.4985@6.7751083 + 842.514@6.775032 6.775032 (843.5212, 2250.73)(844.5134, 1491.73)(845.5161, 864.93) 1 842.514 842.514@6.775032 + 798.0036@6.7330546 6.7330546 (799.0107, 2442.0598)(800.01196, 1743.5476)(801.02594, 2574.815) 4 798.0036 798.0036@6.7330546 + 1080.1597@6.7767973 6.7767973 (1081.1711, 1943.03)(1082.1797, 2072.015)(1083.188, 1923.455)(1084.1967, 1051.79) 2 1080.1597 1080.1597@6.7767973 + 818.9899@6.778308 6.778308 (819.999, 3454.6743)(821.005, 3311.806)(822.01263, 3435.4065)(823.01514, 1375.865) 5 818.9899 818.9899@6.778308 + C29 H55 N5 S5 + 6.7319984 6.7319984 [ C29 H55 N5 S5, mfg=79.03, overall=79.03 ] (634.3112, 4257.0303)(635.31366, 1615.29)(636.32275, 1179.969) 19 633.3025 C29 H55 N5 S5 + 6.7319984 + 1116.64@6.7849345 6.7849345 (1117.6504, 2579.764)(1118.6547, 1882.2484)(1119.6597, 2693.905)(1120.668, 1456.0825)(1121.6742, 2243.2131)(1122.649, 1712.66)(1123.6802, 898.92)(1134.6694, 1321.735) 12 1116.64 1116.64@6.7849345 + 649.3598@6.7826986 6.7826986 (650.3662, 4210.845)(651.3701, 1704.9485)(672.3573, 1250.03) 8 649.3598 649.3598@6.7826986 + 796.9952@6.786041 6.786041 (798.0025, 2259.04) 1 796.9952 796.9952@6.786041 + 796.4831@6.788042 6.788042 (797.4904, 2207.14)(798.5034, 1814.75)(799.5104, 2101.95) 1 796.4831 796.4831@6.788042 + 451.2333@6.7887554 6.7887554 (452.24045, 1839.15) 2 451.2333 451.2333@6.7887554 + 629.2996@6.789502 6.789502 (630.30664, 1958.22)(631.3254, 1010.84)(632.3203, 1791.8) 2 629.2996 629.2996@6.789502 + 1063.6655@6.747985 6.747985 (1064.6726, 51151.66)(1086.6565, 32106.428)(1087.6694, 43148.883)(1088.6741, 25853.57) 18 1063.6655 1063.6655@6.747985 + 817.4776@6.7864766 6.7864766 (818.483, 4463.52)(819.4914, 4274.6465)(820.49774, 4927.947)(835.5067, 1783.48) 4 817.4776 817.4776@6.7864766 + 817.9828@6.786176 6.786176 (818.99097, 4918.8965)(819.9963, 3713.18)(821.0042, 4119.54) 3 817.9828 817.9828@6.786176 + 1052.1693@6.786668 6.786668 (1053.1768, 3912.185)(1054.1816, 3638.415) 4 1052.1693 1052.1693@6.786668 + 801.4829@6.7907014 6.7907014 (802.49, 22521.14)(803.4971, 15823.953)(804.5042, 14805.552) 12 801.4829 801.4829@6.7907014 + 800.9812@6.7899976 6.7899976 (801.9884, 27790.197)(802.99426, 24704.412)(804.0029, 24534.08) 9 800.9812 800.9812@6.7899976 + 1115.6918@6.7305746 6.7305746 (1116.6971, 2874.3513)(1117.7089, 3189.166)(1118.7092, 2063.1257) 8 1115.6918 1115.6918@6.7305746 + 745.417@6.850048 6.850048 (746.42596, 2639.1167)(747.4314, 1359.438)(748.43896, 2938.49)(749.4466, 734.75)(750.4543, 3443.75)(728.416, 3105.23)(729.4201, 1242.84)(730.4173, 1058.32) 6 745.417 745.417@6.850048 + 826.9889@6.7943673 6.7943673 (827.99585, 2980.335)(829.00244, 1890.9675)(829.9863, 1292.81) 4 826.9889 826.9889@6.7943673 + 816.9771@6.7950473 6.7950473 (817.9844, 5619.27) 1 816.9771 816.9771@6.7950473 + 511.2918@6.79805 6.79805 (512.299, 1798.61) 1 511.2918 511.2918@6.79805 + 607.3119@6.8240175 6.8240175 (608.31854, 6684.387)(609.3226, 2073.1428)(610.32245, 8303.44)(611.3243, 2429.5142)(612.3493, 1512.76)(630.3052, 5935.267)(631.3077, 4708.96)(632.3169, 6600.95)(633.3219, 1374.92)(634.3298, 1862.67) 7 607.3119 607.3119@6.8240175 + 783.9886@6.8020525 6.8020525 (784.9959, 1661.58)(786.0013, 1300.28) 1 783.9886 783.9886@6.8020525 + 1086.6628@6.753823 6.753823 (1087.6669, 35924.926)(1088.6705, 21943.754)(1089.6696, 2570.9126)(1069.6433, 12430.03)(1070.6466, 6960.93)(1071.6587, 12472.91)(1072.6619, 7578.56) 8 1086.6628 1086.6628@6.753823 + 1308.8147@6.8006973 6.8006973 (1309.8208, 12419.118)(1310.8252, 8106.175)(1311.8333, 4407.3374)(1312.8407, 2089.42) 4 1308.8147 1308.8147@6.8006973 + 805.9777@6.8070564 6.8070564 (806.985, 2735.96)(807.9997, 1982.43)(808.9978, 1181.68) 1 805.9777 805.9777@6.8070564 + 1027.6647@6.8033977 6.8033977 (1028.672, 4228.655)(1029.6825, 7571.31)(1030.689, 4227.22) 6 1027.6647 1027.6647@6.8033977 + 1053.153@6.81252 6.81252 (1054.1553, 3230.815)(1055.1465, 3106.77)(1076.1503, 1195.03) 2 1053.153 1053.153@6.81252 + 1059.144@6.820384 6.820384 (1060.1493, 2940.199)(1082.1403, 1145.23) 10 1059.144 1059.144@6.820384 + 1301.3031@6.8230696 6.8230696 (1302.3103, 1373.23)(1303.3033, 1499.77)(1304.3115, 1524.61) 1 1301.3031 1301.3031@6.8230696 + 1302.7971@6.828073 6.828073 (1303.8043, 1662.63) 1 1302.7971 1302.7971@6.828073 + 1083.6218@6.8310757 6.8310757 (1084.6292, 1235.98)(1085.6365, 1332.25) 1 1083.6218 1083.6218@6.8310757 + 1212.7504@6.8386927 6.8386927 (1213.7568, 3119.574)(1214.7594, 2176.716)(1215.7649, 1338.44) 5 1212.7504 1212.7504@6.8386927 + 1083.1151@6.833077 6.833077 (1084.1223, 2377.89) 1 1083.1151 1083.1151@6.833077 + 865.5408@6.838081 6.838081 (866.5481, 2317.46) 1 865.5408 865.5408@6.838081 + 1012.1408@6.8400826 6.8400826 (1013.1481, 4662.91) 1 1012.1408 1012.1408@6.8400826 + 531.3269@6.841083 6.841083 (532.3342, 2471.51)(533.3345, 1091.23) 1 531.3269 531.3269@6.841083 + 653.3901@6.88598 6.88598 (654.39777, 22922.836)(655.4008, 9276.595)(656.4028, 2206.726)(657.4013, 773.79)(636.3877, 3213.26)(671.4198, 1511.5)(676.38, 12368.677)(677.3878, 4722.4775)(678.3979, 2411.5867) 8 653.3901 653.3901@6.88598 + 659.4142@6.8430853 6.8430853 (660.4215, 2270.81)(661.421, 1843.54)(662.4161, 1014.88) 1 659.4142 659.4142@6.8430853 + 763.9724@6.8450866 6.8450866 (764.9797, 5937.42) 1 763.9724 763.9724@6.8450866 + 792.9757@6.8570833 6.8570833 (793.9828, 8062.124)(794.9843, 5071.986)(795.97925, 1902.4987) 10 792.9757 792.9757@6.8570833 + 753.4846@6.8628488 6.8628488 (754.4885, 2843.065)(755.4965, 1398.29) 2 753.4846 753.4846@6.8628488 + Metalaxyl 6.8561373 C10947 Metalaxyl [ C15 H21 N O4, mfg=74.90, db=74.81, overall=74.85, CAS ID=57837-19-1, KEGG ID=C10947, METLIN ID=68712 ] 57837-19-1 (559.3115, 785.8)(280.15454, 6399.6616)(281.15863, 1540.162) 20 279.1472 Metalaxyl + 315.2038@6.856881 6.856881 (316.2113, 14640.945)(317.21472, 2291.12)(318.20886, 957.54504) 2 315.2038 315.2038@6.856881 + 657.2374@6.853093 6.853093 (658.2446, 1610.42) 1 657.2374 657.2374@6.853093 + 682.4251@6.8679724 6.8679724 (683.43176, 4863.75)(684.43115, 1494.885)(685.4252, 865.36) 2 682.4251 682.4251@6.8679724 + 729.4037@6.8671055 6.8671055 (730.4177, 1457.875)(731.4205, 900.39)(732.405, 1236.51) 2 729.4037 729.4037@6.8671055 + 246.2264@6.873577 6.873577 (247.23254, 1387.1133) 3 246.2264 246.2264@6.873577 + 677.4212@6.868105 6.868105 (678.4285, 2766.25)(679.4428, 1493.63) 1 677.4212 677.4212@6.868105 + 777.4409@6.827032 6.827032 (778.4492, 3167.2349)(779.44995, 1449.215)(780.445, 1294.365)(800.4297, 1191.14)(801.4411, 804.98)(802.4478, 1373.42) 2 777.4409 777.4409@6.827032 + 925.517@6.87411 6.87411 (926.5251, 948.11)(927.5291, 785.54)(928.5457, 833.61)(948.5041, 646.14) 1 925.517 925.517@6.87411 + 1128.6438@6.877113 6.877113 (1129.6511, 1259.87) 1 1128.6438 1128.6438@6.877113 + 749.4469@6.860897 6.860897 (750.4548, 3612.42)(751.45844, 2659.3467)(752.4343, 1715.58)(772.43555, 3401.2402)(773.43994, 1652.0801)(774.44904, 2085.5667)(775.4488, 879.29)(776.4495, 1722.03) 5 749.4469 749.4469@6.860897 + C26 H50 Cl N4 O9 S 6.8821206 [ C26 H50 Cl N4 O9 S, mfg=54.47, overall=54.47 ] (630.3034, 7720.691)(631.3086, 2825.1135)(632.3176, 4274.809)(633.32086, 1072.3467)(634.3317, 1266.8359)(612.2958, 901.525)(652.2862, 925.18) 15 629.2962 C26 H50 Cl N4 O9 S + 527.3215@6.8758764 6.8758764 (528.329, 8487.402)(529.333, 2876.8066)(550.3129, 5840.96) 4 527.3215 527.3215@6.8758764 + 287.1689@6.8866653 6.8866653 (288.17657, 3400.0183)(289.17902, 954.0) 6 287.1689 287.1689@6.8866653 + 713.3891@6.8862495 6.8862495 (714.3981, 2781.8)(715.3988, 1431.2725)(716.4126, 8071.846)(717.41656, 3594.7166) 4 713.3891 713.3891@6.8862495 + 849.4681@6.8842096 6.8842096 (850.47546, 4202.512)(851.4798, 1764.1139)(852.4694, 1241.2433)(872.4637, 710.08) 10 849.4681 849.4681@6.8842096 + 701.3137@6.8862915 6.8862915 (702.32196, 3790.5)(703.32227, 1527.295)(704.3334, 1146.82)(724.3032, 708.87) 2 701.3137 701.3137@6.8862915 + 642.2956@6.8837156 6.8837156 (643.3031, 3467.975)(644.3117, 1870.285)(645.3152, 1105.83) 4 642.2956 642.2956@6.8837156 + 259.1603@6.8840685 6.8840685 (260.16794, 6874.2944)(261.17105, 969.6275) 16 259.1603 259.1603@6.8840685 + 848.9651@6.88414 6.88414 (849.9727, 5372.442)(850.9771, 3662.5732)(851.97705, 1505.8434) 6 848.9651 848.9651@6.88414 + Acetophenazine 6.888448 C06807 Acetophenazine [ C23 H29 N3 O2 S, mfg=38.55, db=38.02, overall=38.28, CAS ID=2751-68-0, KEGG ID=C06807, METLIN ID=66555 ] 2751-68-0 (412.2091, 3710.7686)(413.2137, 1200.2233)(394.19876, 1047.4275)(434.1912, 1267.26) 6 411.2018 Acetophenazine + 668.226@6.8831177 6.8831177 (669.2333, 1376.42)(670.2323, 852.83) 1 668.226 668.226@6.8831177 + C34 H35 N11 O 6.913529 [ C34 H35 N11 O, mfg=66.12, overall=66.12 ] (614.30804, 1744.635)(615.3151, 762.55)(596.3026, 933.97)(636.2848, 694.02) 4 613.3008 C34 H35 N11 O + C40 H34 N8 O2 6.887851 [ C40 H34 N8 O2, mfg=70.40, overall=70.40 ] (659.288, 2338.617)(660.2901, 1063.7) 12 658.281 C40 H34 N8 O2 + 673.2301@6.887799 6.887799 (674.2377, 2328.3264)(675.24426, 1164.037)(676.2444, 829.1501) 11 673.2301 673.2301@6.887799 + 405.188@6.887301 6.887301 (406.19617, 1734.52)(407.1992, 749.34) 3 405.188 405.188@6.887301 + C41 H47 N3 O2 S3 6.8869553 [ C41 H47 N3 O2 S3, mfg=72.91, overall=72.91 ] (710.2886, 1717.7279)(711.2913, 864.3867)(712.3013, 625.17)(732.26886, 655.13) 5 709.2825 C41 H47 N3 O2 S3 + 313.0925@6.909362 6.909362 (314.0999, 4358.83)(315.10162, 1101.84)(336.0823, 1315.55) 8 313.0925 313.0925@6.909362 + 421.1835@6.893347 6.893347 (422.19092, 3111.9016)(423.19537, 841.2257) 11 421.1835 421.1835@6.893347 + 692.472@6.889123 6.889123 (693.4787, 1371.06)(715.4625, 1251.04) 1 692.472 692.472@6.889123 + 649.3961@6.9051404 6.9051404 (650.40314, 4619.5767)(651.4074, 2126.3)(652.3891, 1463.05)(632.3915, 3083.635)(633.3938, 1245.68) 3 649.3961 649.3961@6.9051404 + 631.3831@6.911373 6.911373 (632.391, 3868.7148)(633.39435, 1567.225)(634.3815, 667.27) 2 631.3831 631.3831@6.911373 + 603.2939@6.909661 6.909661 (604.30035, 4320.1333)(605.30347, 1515.2278)(606.3045, 6596.79)(607.3079, 2146.35)(608.3193, 4341.45)(609.3228, 1054.83)(610.3348, 1709.41)(626.2858, 1315.75) 9 603.2939 603.2939@6.909661 + 266.9265@6.9171467 6.9171467 (267.9338, 898.2) 1 266.9265 266.9265@6.9171467 + 823.4747@6.8601913 6.8601913 (824.47644, 1570.185)(825.4801, 941.27) 2 823.4747 823.4747@6.8601913 + 511.293@6.927155 6.927155 (512.3003, 1335.84) 1 511.293 511.293@6.927155 + 692.4086@6.9291573 6.9291573 (693.4159, 1791.51) 1 692.4086 692.4086@6.9291573 + 579.3199@6.9431696 6.9431696 (580.3272, 2834.04)(581.3391, 1186.94) 1 579.3199 579.3199@6.9431696 + 751.4626@6.9504867 6.9504867 (752.4699, 5725.996)(753.4736, 2673.3452)(754.47327, 1226.5425)(755.4808, 128.75) 19 751.4626 751.4626@6.9504867 + 272.1135@6.9591336 6.9591336 (273.1212, 7775.8667)(274.1243, 2453.0) 6 272.1135 272.1135@6.9591336 + 681.3862@7.014173 7.014173 (682.39374, 2978.4001)(683.40576, 1271.2733)(684.4098, 1478.76) 7 681.3862 681.3862@7.014173 + 579.3155@6.9686522 6.9686522 (580.324, 1951.91)(581.3245, 1516.44) 2 579.3155 579.3155@6.9686522 + 489.2114@7.0046854 7.0046854 (490.21863, 2194.145)(491.224, 712.985) 2 489.2114 489.2114@7.0046854 + 813.6262@7.0102305 7.0102305 (814.6334, 1389.66)(815.6328, 836.91) 1 813.6262 813.6262@7.0102305 + 643.2886@7.059737 7.059737 (644.29614, 3017.835)(645.3, 1382.98) 2 643.2886 643.2886@7.059737 + 725.4397@7.0142345 7.0142345 (726.447, 2599.12)(727.4483, 1013.76) 1 725.4397 725.4397@7.0142345 + C13 H21 N3 O3 7.020001 [ C13 H21 N3 O3, mfg=77.74, overall=77.74 ] (268.16498, 6003.8022)(269.1709, 767.83997) 16 267.1576 C13 H21 N3 O3 + 807.487@7.026245 7.026245 (808.4943, 1202.62)(809.4941, 675.38) 1 807.487 807.487@7.026245 + 509.3103@6.953419 6.953419 (510.31882, 2420.4265)(511.32626, 1094.6766)(512.3268, 461.94) 3 509.3103 509.3103@6.953419 + 625.2986@7.053096 7.053096 (626.30676, 1290.39)(627.307, 638.39)(628.2967, 573.89) 2 625.2986 625.2986@7.053096 + 689.3903@7.0690956 7.0690956 (690.3981, 2271.8774)(691.4012, 1258.415)(692.4109, 1298.3899)(693.4162, 866.07)(707.4226, 971.21)(708.4239, 501.71) 8 689.3903 689.3903@7.0690956 + 781.44@7.109113 7.109113 (782.45404, 1642.4867)(783.456, 915.445)(784.4451, 802.87) 3 781.44 781.44@7.109113 + 269.976@7.1629558 7.1629558 (270.9834, 2422.8667) 6 269.976 269.976@7.1629558 + 589.2992@7.1309853 7.1309853 (590.30725, 9718.97)(591.31104, 3044.9402)(612.2921, 1758.32) 3 589.2992 589.2992@7.1309853 + 785.4468@7.135347 7.135347 (786.448, 1805.5625)(787.4622, 1218.505)(788.44116, 2318.165)(789.44403, 798.81)(790.4354, 1354.445)(768.4447, 1053.22) 4 785.4468 785.4468@7.135347 + 685.2839@7.1484823 7.1484823 (686.2907, 6842.4097)(687.2937, 3536.68)(688.3025, 2062.04)(668.2818, 3416.68)(669.286, 1506.78) 2 685.2839 685.2839@7.1484823 + 598.3078@7.1390405 7.1390405 (599.3141, 4036.35)(581.2987, 524.88) 2 598.3078 598.3078@7.1390405 + 372.0346@7.115334 7.115334 (373.0418, 4345.86)(374.0459, 792.7) 1 372.0346 372.0346@7.115334 + 675.3751@7.1204805 7.1204805 (676.3838, 2854.556)(677.389, 1181.3971)(678.3861, 856.35) 7 675.3751 675.3751@7.1204805 + 638.0151@7.120339 7.120339 (639.0224, 973.53) 1 638.0151 638.0151@7.120339 + 801.4354@7.1465707 7.1465707 (802.44495, 1550.25)(803.4515, 927.50995)(804.4431, 1929.83)(805.4381, 1304.88)(806.4295, 918.14) 4 801.4354 801.4354@7.1465707 + 725.3599@7.126643 7.126643 (726.37, 1372.345)(727.3768, 861.04) 2 725.3599 725.3599@7.126643 + 791.429@7.125344 7.125344 (792.4363, 1656.38)(793.4426, 1124.34) 1 791.429 791.429@7.125344 + 817.4408@7.1416783 7.1416783 (818.4448, 1563.75)(819.44727, 915.985)(820.4675, 1868.6) 3 817.4408 817.4408@7.1416783 + 504.1531@7.155394 7.155394 (505.1601, 1256.501)(506.1604, 656.86)(527.14215, 3421.142)(528.143, 1001.6884) 10 504.1531 504.1531@7.155394 + 336.1017@7.1474495 7.1474495 (695.1916, 1264.2067)(337.10876, 6015.3237)(338.11127, 1234.72)(359.0908, 5204.56) 3 336.1017 336.1017@7.1474495 + 753.4239@7.1279516 7.1279516 (754.4313, 2231.76)(755.4292, 1331.1675)(756.4246, 1164.5167)(771.4621, 3068.44)(772.4529, 1082.82)(773.4453, 515.02)(776.4083, 977.03)(777.4152, 923.95) 5 753.4239 753.4239@7.1279516 + 881.5604@7.132414 7.132414 (882.5672, 1959.0599)(883.57196, 1365.8033)(884.5727, 788.46)(904.55054, 3075.9702)(905.55505, 1740.29)(906.5618, 1462.41) 3 881.5604 881.5604@7.132414 + 713.1188@7.148576 7.148576 (714.12585, 1870.1167)(715.12427, 1282.0299)(716.1233, 1117.2533)(717.1233, 570.86) 9 713.1188 713.1188@7.148576 + 697.4165@7.108519 7.108519 (698.4237, 2527.1255)(699.4269, 1100.9071)(700.4293, 966.4425) 7 697.4165 697.4165@7.108519 + 350.0534@7.158823 7.158823 (723.0975, 1167.8)(351.06104, 2197.3926)(373.0426, 1205.35) 4 350.0534 350.0534@7.158823 + 789.4318@7.1408157 7.1408157 (790.4396, 1167.65)(791.4577, 764.09)(792.4496, 1044.89) 2 789.4318 789.4318@7.1408157 + 635.2943@7.1500444 7.1500444 (636.3023, 2873.614)(637.3031, 1152.0199)(638.30426, 3494.3066)(639.3085, 1886.0701)(640.3093, 11607.83) 5 635.2943 635.2943@7.1500444 + 761.4107@7.1447396 7.1447396 (762.41815, 2462.8367)(763.429, 1117.44)(764.4311, 1468.46)(765.4357, 742.2) 3 761.4107 761.4107@7.1447396 + 775.4267@7.150904 7.150904 (776.43384, 2545.9634)(777.4413, 1404.3501)(778.44244, 1019.515)(779.4473, 483.99)(758.4166, 1340.97)(759.4196, 840.16) 3 775.4267 775.4267@7.150904 + 781.4582@7.1373568 7.1373568 (782.4655, 1743.48)(783.4597, 843.71) 1 781.4582 781.4582@7.1373568 + 642.3986@7.1383576 7.1383576 (643.4058, 3505.71) 1 642.3986 642.3986@7.1383576 + 547.2908@7.1543064 7.1543064 (548.2989, 3141.2031)(549.301, 1352.8002)(550.3132, 6199.825)(551.3179, 2921.44)(530.28534, 1682.88)(570.28064, 2954.35)(571.29205, 1290.57)(572.2956, 7942.4136)(573.29913, 2234.33) 12 547.2908 547.2908@7.1543064 + 623.3044@7.1612883 7.1612883 (624.3126, 13120.206)(625.3163, 4087.2039)(626.31616, 1230.8854)(627.3192, 736.48)(606.30115, 23281.273)(607.30444, 6994.27)(646.2969, 2968.924)(647.2999, 1284.935)(648.31006, 1101.09) 10 623.3044 623.3044@7.1612883 + 576.3247@7.1719193 7.1719193 (577.3306, 1859.4667)(578.3436, 920.22) 3 576.3247 576.3247@7.1719193 + 712.4336@7.1473675 7.1473675 (713.4409, 1946.41) 1 712.4336 712.4336@7.1473675 + 741.4193@7.16698 7.16698 (742.42737, 3420.67)(743.4298, 1854.28)(744.4421, 1276.59) 2 741.4193 741.4193@7.16698 + 639.3017@7.1724067 7.1724067 (640.30884, 15990.554)(641.3126, 5677.603)(642.3214, 2997.7563)(643.3242, 561.39996)(622.303, 2778.84)(623.3078, 621.23)(662.29083, 6714.893)(663.2944, 2274.3516)(664.3067, 1328.594) 15 639.3017 639.3017@7.1724067 + 574.3069@7.213251 7.213251 (575.3144, 3997.9268)(576.32745, 4028.2651)(577.3325, 1290.04) 3 574.3069 574.3069@7.213251 + 733.4518@7.2176604 7.2176604 (734.4593, 2850.7031)(735.4617, 1579.2733)(736.4519, 1211.65) 3 733.4518 733.4518@7.2176604 + 449.2858@7.2664995 7.2664995 (450.2931, 1039.75) 1 449.2858 449.2858@7.2664995 + 705.4225@7.2778625 7.2778625 (706.4297, 4291.1714)(707.4312, 2009.7686)(708.43146, 999.25) 7 705.4225 705.4225@7.2778625 + 677.279@7.285522 7.285522 (678.2863, 1287.82) 1 677.279 677.279@7.285522 + 340.0402@7.293199 7.293199 (341.0474, 2651.13) 3 340.0402 340.0402@7.293199 + 613.3575@7.2709346 7.2709346 (614.36365, 1295.4551)(615.3675, 515.91) 2 613.3575 613.3575@7.2709346 + 629.2941@7.2905087 7.2905087 (630.3014, 7736.5845)(631.30475, 3027.5256)(632.31757, 6472.544)(633.3211, 2565.92)(634.3277, 1965.52)(612.29205, 1827.94)(613.29663, 794.115)(614.3063, 6395.72)(615.3107, 3441.3)(652.2866, 1503.4218)(653.28894, 1177.3301) 14 629.2941 629.2941@7.2905087 + 632.3149@7.295533 7.295533 (633.3222, 1832.38)(634.3311, 700.09)(635.333, 662.08) 1 632.3149 632.3149@7.295533 + 653.2931@7.2946787 7.2946787 (654.2998, 2880.1582)(655.30206, 1030.746)(656.306, 1366.79)(676.2855, 949.18) 5 653.2931 653.2931@7.2946787 + 573.304@7.2952147 7.2952147 (574.3111, 6263.1084)(575.3145, 2307.8472)(576.3268, 2127.2773)(577.3283, 471.83) 8 573.304 573.304@7.2952147 + 663.3012@7.3060308 7.3060308 (664.3079, 1722.5566)(665.31366, 1073.68)(666.3202, 914.35)(686.2908, 1841.01) 3 663.3012 663.3012@7.3060308 + 483.2945@7.3334293 7.3334293 (484.30328, 1829.47)(485.30353, 1030.4349) 2 483.2945 483.2945@7.3334293 + C24 H35 O10 + 7.3341722 7.3341722 [ C24 H35 O10, mfg=93.43, overall=93.43 ] (484.23026, 9086.688)(485.2338, 2477.7317)(486.2362, 990.1867)(506.21234, 1065.5701) 14 483.223 C24 H35 O10 + 7.3341722 + 525.2333@7.351997 7.351997 (526.2407, 2182.96)(527.2454, 799.47) 3 525.2333 525.2333@7.351997 + 589.3635@7.360613 7.360613 (590.3707, 2446.65) 1 589.3635 589.3635@7.360613 + 619.2764@7.388648 7.388648 (620.2837, 1549.07)(621.2864, 803.49) 1 619.2764 619.2764@7.388648 + 735.4681@7.3912654 7.3912654 (736.4728, 2339.3557)(737.4752, 1084.996)(738.4682, 1244.6) 7 735.4681 735.4681@7.3912654 + 479.227@7.4152493 7.4152493 (480.23444, 2247.2527)(481.23895, 1047.735) 8 479.227 479.227@7.4152493 + 747.4325@7.441021 7.441021 (748.43964, 2807.3232)(749.4451, 1266.6567)(750.4449, 689.82) 3 747.4325 747.4325@7.441021 + 707.4365@7.44011 7.44011 (708.4441, 4378.9736)(709.44714, 1960.7921)(710.4383, 2185.199)(711.4372, 368.76) 9 707.4365 707.4365@7.44011 + 626.3253@7.444721 7.444721 (627.3324, 7165.08)(628.343, 3738.3)(629.3477, 1093.04)(649.3165, 1059.18) 1 626.3253 626.3253@7.444721 + Decaline + 7.456029 7.456029 C10589 Decaline [ C26 H31 N O5, mfg=66.63, db=66.60, overall=66.61, CAS ID=14727-56-1, KEGG ID=C10589, METLIN ID=68410 ] 14727-56-1 (438.2247, 5434.76)(439.22842, 1462.5287)(460.2082, 858.24) 11 437.2173 Decaline + 7.456029 + 689.39@7.4839153 7.4839153 (690.3975, 2312.5066)(691.4012, 917.84344) 6 689.39 689.39@7.4839153 + 677.3936@7.4784546 7.4784546 (678.39935, 1810.9668)(679.40326, 886.5933)(680.4131, 900.89) 3 677.3936 677.3936@7.4784546 + 531.2963@7.48593 7.48593 (532.30304, 2890.4668)(533.30676, 1011.12256) 10 531.2963 531.2963@7.48593 + 633.3931@7.4847746 7.4847746 (634.4003, 1799.28) 1 633.3931 633.3931@7.4847746 + 638.2928@7.4877787 7.4877787 (639.3001, 835.0) 1 638.2928 638.2928@7.4877787 + 587.3325@7.490783 7.490783 (588.3398, 1890.81) 1 587.3325 587.3325@7.490783 + Militarinone B 7.4876575 C12334 Militarinone B [ C26 H33 N O5, mfg=47.45, db=80.79, overall=64.12, KEGG ID=C12334, METLIN ID=69434 ] (462.22482, 3476.9722)(463.22842, 1027.8785) 13 461.2177 Militarinone B + 469.2071@7.5057936 7.5057936 (470.21442, 2524.723)(471.21716, 952.68) 7 469.2071 469.2071@7.5057936 + 406.2313@7.5467653 7.5467653 (835.4516, 6937.76)(407.23853, 73933.15)(408.24167, 15628.266)(409.24457, 9416.175)(429.2204, 33952.344)(430.2237, 12595.91)(431.2267, 2271.78) 8 406.2313 406.2313@7.5467653 + 457.2081@7.563095 7.563095 (458.21454, 4448.095)(459.2169, 1505.9)(480.19928, 1939.77) 4 457.2081 457.2081@7.563095 + 677.3905@7.5703144 7.5703144 (678.39844, 4704.318)(679.40216, 2045.2341)(680.38947, 1163.0924) 11 677.3905 677.3905@7.5703144 + 393.1549@7.5935364 7.5935364 (394.16226, 4221.33)(395.16577, 1172.2284)(396.171, 700.45) 12 393.1549 393.1549@7.5935364 + 347.2234@7.6081 7.6081 (348.23102, 1844.565)(349.2314, 795.0) 2 347.2234 347.2234@7.6081 + 493.2077@7.624382 7.624382 (494.21472, 2168.5)(495.2176, 960.235)(476.1984, 1958.73)(477.203, 667.44) 6 493.2077 493.2077@7.624382 + 479.2228@7.638996 7.638996 (480.2301, 1453.61) 1 479.2228 479.2228@7.638996 + 447.2018@7.647336 7.647336 (448.20886, 7485.249)(449.21246, 2042.1512)(450.22107, 1847.7198)(470.19162, 4449.495)(471.1946, 2824.77)(472.1996, 1269.66) 17 447.2018 447.2018@7.647336 + C23 H29 N7 O4 7.6488385 [ C23 H29 N7 O4, mfg=81.85, overall=81.85 ] (468.23508, 10121.346)(469.23834, 2526.8232) 9 467.2281 C23 H29 N7 O4 + 439.2326@7.659025 7.659025 (440.23972, 3642.0479)(441.2442, 1059.54)(462.22296, 1458.035) 9 439.2326 439.2326@7.659025 + 438.3102@7.6720014 7.6720014 (877.628, 1204.9)(878.6309, 848.02)(439.31665, 2547.9534)(440.3207, 750.99) 3 438.3102 438.3102@7.6720014 + 627.3402@7.6650357 7.6650357 (628.3475, 1943.54)(629.3539, 706.8) 1 627.3402 627.3402@7.6650357 + 175.0957@7.6900053 7.6900053 (176.10287, 10877.303)(177.1075, 1528.875)(178.1064, 812.96)(198.08514, 2649.205) 5 175.0957 175.0957@7.6900053 + 606.2988@7.6770544 7.6770544 (607.3061, 2218.82) 1 606.2988 606.2988@7.6770544 + 569.3329@7.684532 7.684532 (570.33984, 21601.098)(571.343, 6577.3877)(572.3451, 2386.045)(552.3348, 793.28)(592.3236, 3146.42)(593.3273, 1514.07) 4 569.3329 569.3329@7.684532 + 592.3199@7.6830635 7.6830635 (593.3272, 1606.02) 1 592.3199 592.3199@7.6830635 + 424.2942@7.6675463 7.6675463 (849.5956, 1141.44)(850.5992, 663.84)(425.30072, 4035.725)(426.3061, 910.755) 2 424.2942 424.2942@7.6675463 + 421.1859@7.697342 7.697342 (422.19302, 4542.602)(423.19693, 1128.9286) 9 421.1859 421.1859@7.697342 + 453.1755@7.7002325 7.7002325 (454.183, 4452.4756)(455.18668, 1164.3201)(436.1725, 1236.43)(476.1686, 1204.72) 5 453.1755 453.1755@7.7002325 + 401.1814@7.7145314 7.7145314 (402.18857, 5194.445)(403.1936, 1523.0461)(404.19513, 718.62)(424.17148, 1706.0166) 12 401.1814 401.1814@7.7145314 + 499.2174@7.723411 7.723411 (500.2247, 4063.0117)(501.22992, 1410.09)(522.2073, 1695.06) 6 499.2174 499.2174@7.723411 + 424.2942@7.7202554 7.7202554 (849.59546, 4363.4453)(850.59827, 2135.58)(851.5997, 760.94)(871.5736, 1042.31)(425.30136, 11650.034)(426.30502, 2024.8525) 5 424.2942 424.2942@7.7202554 + 507.3179@7.735146 7.735146 (508.3252, 1504.76) 1 507.3179 507.3179@7.735146 + 239.8986@7.745162 7.745162 (240.9058, 794.88)(262.8878, 2815.16) 1 239.8986 239.8986@7.745162 + 483.2226@7.749282 7.749282 (484.2297, 2401.33)(485.2366, 606.49)(506.2136, 974.72) 2 483.2226 483.2226@7.749282 + 424.2942@7.75871 7.75871 (425.3011, 4477.075)(426.3041, 1258.01) 2 424.2942 424.2942@7.75871 + 244.1146@7.7686214 7.7686214 (489.23483, 2060.5369)(490.225, 1044.63)(245.12207, 4520.567) 3 244.1146 244.1146@7.7686214 + 424.7957@7.7314157 7.7314157 (425.80298, 5553.3677) 4 424.7957 424.7957@7.7314157 + 385.1507@7.7952437 7.7952437 (386.158, 3160.96) 1 385.1507 385.1507@7.7952437 + C30 H49 O10 + 7.793548 7.793548 [ C30 H49 O10, mfg=95.22, overall=95.22 ] (570.33984, 67327.66)(571.34314, 18842.041)(572.34644, 4924.478)(573.3514, 1435.9849)(592.32214, 8793.5)(593.3258, 2145.435)(594.3385, 890.64) 24 569.3327 C30 H49 O10 + 7.793548 + 427.1602@7.8115125 7.8115125 (428.1675, 8745.8955)(429.17123, 2014.1135)(430.1694, 913.635)(450.1508, 950.93) 11 427.1602 427.1602@7.8115125 + 391.2508@7.823291 7.823291 (392.258, 2868.06) 1 391.2508 391.2508@7.823291 + 438.8122@7.8343096 7.8343096 (439.8194, 1469.87) 1 438.8122 438.8122@7.8343096 + 439.1961@7.833304 7.833304 (440.20386, 4987.9316)(441.20752, 1336.8418)(462.1878, 1314.6) 12 439.1961 439.1961@7.833304 + 553.3016@7.8341074 7.8341074 (554.3091, 2099.2751)(555.3115, 814.70496)(556.32355, 821.615) 4 553.3016 553.3016@7.8341074 + 375.7374@7.866318 7.866318 (752.4816, 2181.7268)(753.4845, 1613.25)(376.7446, 8950.5205)(377.74594, 1477.2941) 7 375.7374 375.7374@7.866318 + 189.0999@7.865733 7.865733 (190.10742, 10627.212)(191.11157, 1198.3691)(192.1142, 800.23) 13 189.0999 189.0999@7.865733 + Prometon 7.9244475 C14186 Prometon [ C10 H19 N5 O, mfg=44.10, db=65.50, overall=54.80, CAS ID=1610-18-0, KEGG ID=C14186, METLIN ID=44586 ] 1610-18-0 (248.14912, 4789.3433)(249.15245, 981.92255)(250.15, 710.38) 10 247.1417 Prometon + 437.1809@7.9318457 7.9318457 (438.1882, 20353.047)(439.19186, 4374.873)(440.2019, 5250.23)(441.2066, 1275.23)(460.1689, 3184.44) 14 437.1809 437.1809@7.9318457 + 519.2223@7.9356337 7.9356337 (520.23, 2575.5017)(521.2334, 893.49805)(522.225, 610.0) 11 519.2223 519.2223@7.9356337 + 523.2252@7.961426 7.961426 (524.2312, 1220.79) 2 523.2252 523.2252@7.961426 + 589.3012@8.033481 8.033481 (590.3083, 3495.5942)(591.3123, 1497.704)(592.3174, 916.4) 7 589.3012 589.3012@8.033481 + 410.1537@7.9814577 7.9814577 (411.16113, 1416.3401)(412.1673, 607.46) 2 410.1537 410.1537@7.9814577 + 232.1142@7.973014 7.973014 (465.2353, 1927.81)(233.1214, 3147.02)(234.132, 734.61) 2 232.1142 232.1142@7.973014 + 439.1945@7.935275 7.935275 (440.2027, 7263.992)(441.2064, 2236.6768) 5 439.1945 439.1945@7.935275 + 425.1808@8.022913 8.022913 (426.18814, 1944.1451)(427.1908, 841.8133)(408.17755, 14720.961)(409.18134, 2942.468)(448.168, 1725.9751)(449.1735, 908.69) 14 425.1808 425.1808@8.022913 + 525.196@8.0216465 8.0216465 (526.2032, 1142.14) 1 525.196 525.196@8.0216465 + 493.2071@8.089261 8.089261 (494.21436, 3825.7043)(495.2179, 1162.65) 12 493.2071 493.2071@8.089261 + 437.1807@8.108952 8.108952 (438.1879, 3138.1833) 3 437.1807 437.1807@8.108952 + C7 H16 N2 O6 8.13228 [ C7 H16 N2 O6, mfg=56.25, overall=56.25 ] (449.20428, 2434.899)(450.2012, 999.17554)(225.10693, 2827.713)(226.114, 567.29) 10 224.0992 C7 H16 N2 O6 + 631.3118@8.146024 8.146024 (632.31915, 2459.3381)(633.32306, 1194.774)(634.333, 974.80005) 5 631.3118 631.3118@8.146024 + 224.0989@8.148563 8.148563 (449.20422, 3286.88)(450.2015, 1173.845)(225.1064, 4311.455)(226.1155, 833.44) 2 224.0989 224.0989@8.148563 + 605.2959@8.154121 8.154121 (606.30334, 1792.77)(607.3052, 807.55) 2 605.2959 605.2959@8.154121 + 607.3115@8.165584 8.165584 (608.3189, 10085.268)(609.3226, 3491.9473)(610.3292, 879.14)(630.3014, 1588.54) 14 607.3115 607.3115@8.165584 + C20 H27 O9 + 8.173776 8.173776 [ C20 H27 O9, mfg=96.59, overall=96.59 ] (412.17267, 18226.947)(413.17645, 3567.4653)(414.17795, 1130.8013)(434.155, 2621.43) 14 411.1655 C20 H27 O9 + 8.173776 + 311.198@8.180077 8.180077 (623.4029, 2724.0981)(624.4047, 1053.2867)(312.2055, 2741.9316) 6 311.198 311.198@8.180077 + 409.1493@8.194591 8.194591 (410.15674, 2854.9902)(411.16217, 855.9625) 6 409.1493 409.1493@8.194591 + 397.1498@8.215331 8.215331 (398.15704, 19208.316)(399.16046, 3463.4058)(400.16315, 1137.4025) 10 397.1498 397.1498@8.215331 + 485.2382@8.212015 8.212015 (486.2452, 2990.0935)(487.25006, 669.68)(468.2334, 961.23) 6 485.2382 485.2382@8.212015 + 395.1342@8.263458 8.263458 (396.14145, 1540.4268)(397.146, 1060.03) 3 395.1342 395.1342@8.263458 + 445.1711@8.312697 8.312697 (446.178, 1401.115)(428.1679, 3860.96)(429.1694, 1029.13) 2 445.1711 445.1711@8.312697 + 479.1913@8.266618 8.266618 (480.19858, 2567.102)(481.20273, 1176.8966)(482.211, 1199.96) 5 479.1913 479.1913@8.266618 + 431.1914@8.293273 8.293273 (432.19885, 3710.2463)(433.2029, 1033.2483) 11 431.1914 431.1914@8.293273 + 465.1759@8.300463 8.300463 (466.18338, 3372.0234)(467.1865, 1837.55) 3 465.1759 465.1759@8.300463 + 371.1344@8.3432665 8.3432665 (372.14163, 6715.8403)(373.14435, 1310.135) 4 371.1344 371.1344@8.3432665 + 170.1778@8.366946 8.366946 (171.18524, 1625.2451) 6 170.1778 170.1778@8.366946 + 161.1056@8.4014435 8.4014435 (162.1157, 1551.65)(144.102, 13849.04)(145.1051, 2016.8) 1 161.1056 161.1056@8.4014435 + 399.1652@8.408404 8.408404 (400.17307, 4267.565)(401.17758, 1391.5961)(402.1778, 618.3)(422.157, 765.8) 8 399.1652 399.1652@8.408404 + 588.3185@8.404449 8.404449 (589.3258, 1192.29)(590.325, 576.04) 1 588.3185 588.3185@8.404449 + 356.1436@8.379612 8.379612 (357.15024, 861.28) 2 356.1436 356.1436@8.379612 + 441.176@8.41459 8.41459 (442.1832, 2778.6865)(443.1868, 973.14166) 11 441.176 441.176@8.41459 + C21 H42 Cl N O S4 8.376395 [ C21 H42 Cl N O S4, mfg=65.03, overall=65.03 ] (488.19235, 2788.3472)(489.1988, 1022.7425)(490.1856, 1842.14) 8 487.1859 C21 H42 Cl N O S4 + 443.1911@8.428378 8.428378 (444.1981, 2038.3434)(445.2036, 650.17)(426.1866, 794.37) 3 443.1911 443.1911@8.428378 + 455.1921@8.505689 8.505689 (456.1994, 4266.34) 1 455.1921 455.1921@8.505689 + 511.2171@8.507648 8.507648 (512.2249, 3262.7114)(513.2278, 984.1883) 8 511.2171 511.2171@8.507648 + 399.1657@8.653657 8.653657 (400.1728, 2052.925)(401.1736, 769.29) 2 399.1657 399.1657@8.653657 + C23 H37 N2 O3 S2 8.696692 [ C23 H37 N2 O3 S2, mfg=88.66, overall=88.66 ] (454.23068, 4669.0464)(455.23386, 1319.2008)(456.23663, 680.74) 16 453.2232 C23 H37 N2 O3 S2 + 429.1759@8.815578 8.815578 (430.18298, 16666.172)(431.18628, 3878.9866)(432.1875, 1152.0)(412.1726, 2111.39)(452.1681, 1135.14) 4 429.1759 429.1759@8.815578 + 393.155@8.787642 8.787642 (394.16223, 1899.7001) 2 393.155 393.155@8.787642 + 469.2072@8.823323 8.823323 (470.21423, 3597.908)(471.21844, 1145.1799)(472.1982, 940.0) 9 469.2072 469.2072@8.823323 + C20 H31 O5 S2 8.8292675 [ C20 H31 O5 S2, mfg=86.84, overall=86.84 ] (416.16748, 13411.519)(417.17096, 2588.0913)(418.17276, 1588.3434)(398.1569, 622.27)(438.14972, 4174.0547)(439.152, 1390.77) 19 415.1602 C20 H31 O5 S2 + 180.137@8.955946 8.955946 (181.14449, 4361.4136)(182.14943, 833.592) 8 180.137 180.137@8.955946 + 445.1709@8.990844 8.990844 (446.17825, 4479.0415)(447.18207, 1215.742)(428.1683, 973.21) 6 445.1709 445.1709@8.990844 + 425.1445@9.140337 9.140337 (426.15234, 4258.284)(427.15573, 1366.9225)(448.1332, 1392.98) 10 425.1445 425.1445@9.140337 + 397.1609@9.260535 9.260535 (398.16782, 3852.4338)(399.1725, 1244.2384) 12 397.1609 397.1609@9.260535 + 220.1144@9.5837 9.5837 (441.23615, 1361.6924)(221.12167, 4390.9272) 4 220.1144 220.1144@9.5837 + 240.1221@9.812751 9.812751 (241.12971, 8430.049)(242.13293, 1380.62)(263.1113, 1698.93) 7 240.1221 240.1221@9.812751 + 188.1522@10.032473 10.032473 (189.15976, 4602.19)(190.1624, 1054.46)(191.1554, 696.93) 2 188.1522 188.1522@10.032473 + 567.3175@9.965538 9.965538 (568.3248, 3966.9)(569.3275, 2109.68) 1 567.3175 567.3175@9.965538 + 567.3175@10.002698 10.002698 (568.3248, 4482.95)(569.3302, 1638.24) 1 567.3175 567.3175@10.002698 + 558.8156@10.012742 10.012742 (559.8229, 1410.54) 1 558.8156 558.8156@10.012742 + 559.3195@10.069334 10.069334 (560.3268, 3506.83)(561.3318, 1268.965) 2 559.3195 559.3195@10.069334 + 567.3172@10.067984 10.067984 (568.3245, 3448.36)(569.3314, 855.83)(550.3138, 822.48) 1 567.3172 567.3172@10.067984 + 375.1913@10.816763 10.816763 (376.1982, 1971.3726) 4 375.1913 375.1913@10.816763 + 375.1921@10.870019 10.870019 (376.1994, 1472.17) 1 375.1921 375.1921@10.870019 + 367.1941@11.095042 11.095042 (735.3967, 1235.35)(368.20172, 10582.229)(369.20407, 1912.3485) 13 367.1941 367.1941@11.095042 + 172.0154@13.264524 13.264524 (173.0226, 841.56) 1 172.0154 172.0154@13.264524 + 160.9069@13.368574 13.368574 (161.9141, 822.63) 1 160.9069 160.9069@13.368574 + 428.3651@0.7293281 0.7293281 (429.3724, 2433.28)(430.3787, 2046.18) 2 428.3651 428.3651@0.7293281 + 272.0687@0.7346542 0.7346542 (273.07602, 4865.7188)(274.0802, 1120.1622)(295.05862, 1080.2666) 9 272.0687 272.0687@0.7346542 + 338.0457@0.7338593 0.7338593 (339.05325, 2220.39)(340.0576, 1078.61)(356.0791, 2588.62) 3 338.0457 338.0457@0.7338593 + 256.0721@0.7405749 0.7405749 (257.08057, 3851.5144)(258.0848, 1020.77) 7 256.0721 256.0721@0.7405749 + 268.0736@0.73679745 0.73679745 (269.0809, 3179.0)(270.0841, 1000.27) 1 268.0736 268.0736@0.73679745 + 334.0142@0.7466528 0.7466528 (335.02155, 5398.582)(336.02505, 914.0633)(337.0319, 819.1)(357.004, 2542.9167)(358.006, 994.34) 6 334.0142 334.0142@0.7466528 + 284.0686@0.7478309 0.7478309 (285.07578, 9734.509)(286.079, 2099.1418) 6 284.0686 284.0686@0.7478309 + 395.1041@0.74415857 0.74415857 (396.1117, 2009.7401)(397.1126, 577.83) 3 395.1041 395.1041@0.74415857 + 393.7817@0.754709 0.754709 (394.78967, 2417.5757) 5 393.7817 393.7817@0.754709 + 352.0221@0.7647851 0.7647851 (353.0293, 2369.31) 1 352.0221 352.0221@0.7647851 + C22 H8 N S2 0.76560897 [ C22 H8 N S2, mfg=91.05, overall=91.05 ] (351.01654, 14633.991)(352.02005, 3306.7742)(353.0171, 2285.4697)(372.99878, 3492.3933)(374.0025, 902.69) 15 350.0094 C22 H8 N S2 + 106.0418@0.7722821 0.7722821 (107.04917, 2734.337)(108.0536, 711.02) 10 106.0418 106.0418@0.7722821 + 3-O-Methylanhydrotuberosin 0.7706163 3-O-Methylanhydrotuberosin [ C21 H18 O4, mfg=39.15, db=67.48, overall=53.32, Lipid ID=LMPK12070148, METLIN ID=48236 ] (357.1115, 2956.854)(358.1135, 890.855) 10 356.1042 3-O-Methylanhydrotuberosin + LMPK12070148 191.0254@0.76880085 0.76880085 (400.08423, 3358.775)(401.0867, 581.35)(402.0807, 629.96)(405.03946, 2025.68)(192.0324, 4641.96)(193.0347, 791.26)(209.05927, 5643.217)(210.0653, 897.8501)(214.01486, 3149.56) 8 191.0254 191.0254@0.76880085 + 1034.258@0.7725409 0.7725409 (1035.2657, 3869.8142)(1036.2686, 2078.6187)(1037.2665, 1288.63) 7 1034.258 1034.258@0.7725409 + 361.0586@0.773602 0.773602 (362.0661, 1574.7275) 4 361.0586 361.0586@0.773602 + 338.0452@0.7900183 0.7900183 (339.05212, 1326.37)(321.04175, 2286.705)(322.04474, 791.255)(356.07935, 1527.69)(361.0346, 1252.87) 6 338.0452 338.0452@0.7900183 + 269.072@0.7998518 0.7998518 (270.0795, 8474.906)(271.08224, 2147.99) 5 269.072 269.072@0.7998518 + C15 H10 O7 S 0.7979848 [ C15 H10 O7 S, mfg=92.90, overall=92.90 ] (335.02164, 10195.672)(336.02505, 2132.8801)(337.02148, 1235.7433)(357.00333, 2442.654) 13 334.0145 C15 H10 O7 S + 254.0579@0.7967631 0.7967631 (255.06555, 7059.07)(256.0696, 1662.92) 2 254.0579 254.0579@0.7967631 + 173.0842@0.8057373 0.8057373 (174.09123, 8829.9)(175.0937, 2539.2234) 3 173.0842 173.0842@0.8057373 + 291.0767@0.8490876 0.8490876 (292.0846, 2482.495) 2 291.0767 291.0767@0.8490876 + C14 H7 N2 O2 0.8306174 [ C14 H7 N2 O2, mfg=81.91, overall=81.91 ] (236.05911, 5100.7974)(237.06125, 792.105) 8 235.0518 C14 H7 N2 O2 + 232.9993@0.8617748 0.8617748 (234.00674, 2533.63)(255.9882, 2086.98) 2 232.9993 232.9993@0.8617748 + 265.0269@0.8931419 0.8931419 (266.0339, 7928.527)(267.0371, 1562.39)(283.0606, 1703.59)(288.0154, 969.21) 3 265.0269 265.0269@0.8931419 + 269.9831@0.8937229 0.8937229 (270.9903, 4987.27)(292.9727, 2542.16) 1 269.9831 269.9831@0.8937229 + N-(3-oxo-hexanoyl)-homoserine lactone 0.92410725 C11839 N-(3-oxo-hexanoyl)-homoserine lactone [ C10 H15 N O4, mfg=66.47, db=66.44, overall=66.46, KEGG ID=C11839, METLIN ID=36733 ] (214.10847, 13995.083)(215.11609, 1953.4618)(216.11356, 1249.14) 6 213.1009 N-(3-oxo-hexanoyl)-homoserine lactone + 298.0125@0.92338645 0.92338645 (299.0197, 7766.255)(300.0226, 1289.894)(321.0013, 3865.266)(322.0043, 777.00665) 10 298.0125 298.0125@0.92338645 + 370.1556@0.9726556 0.9726556 (371.16257, 3049.42)(372.1657, 1038.9171) 7 370.1556 370.1556@0.9726556 + 1072.2996@1.0056617 1.0056617 (1073.3068, 9756.48)(1074.3058, 9092.6)(1075.3044, 6063.47) 1 1072.2996 1072.2996@1.0056617 + 1075.2965@1.0056617 1.0056617 (1076.3037, 3593.85)(1077.304, 1694.04) 1 1075.2965 1075.2965@1.0056617 + 1222.3352@1.0039772 1.0039772 (1223.3427, 10294.076)(1224.3411, 6423.8228)(1225.3403, 3554.0303)(1226.3379, 2021.4332) 8 1222.3352 1222.3352@1.0039772 + 591.4538@1.0371485 1.0371485 (592.46375, 5804.871)(593.4593, 2726.812)(594.46326, 1594.95)(614.4523, 3575.27) 8 591.4538 591.4538@1.0371485 + 666.4388@1.0099306 1.0099306 (667.44666, 3974.4724)(668.4515, 2068.5432)(669.4459, 691.78) 4 666.4388 666.4388@1.0099306 + 1175.2017@1.0098326 1.0098326 (1176.2084, 2082.2458)(1177.2078, 2266.814)(1178.2083, 2449.566)(1179.2059, 1847.4667)(1180.2051, 1320.6866) 5 1175.2017 1175.2017@1.0098326 + 546.3952@1.013618 1.013618 (1115.7782, 9281.397)(1116.783, 6261.1304)(1117.7812, 3600.485)(547.40204, 15930.012)(548.4051, 7183.132)(549.4104, 2233.5)(550.4112, 887.68)(564.42914, 721946.94)(565.43256, 243497.7)(566.43475, 70525.305)(567.4331, 24179.82)(568.4338, 3304.94)(569.38464, 37339.277)(570.38806, 12994.471)(571.38806, 3823.2725)(572.3944, 1664.17) 6 546.3952 546.3952@1.013618 + 848.266@1.0078728 1.0078728 (849.2763, 6812.029) 7 848.266 848.266@1.0078728 + 506.4697@1.0146565 1.0146565 (507.4769, 1379.0) 1 506.4697 506.4697@1.0146565 + 604.4484@1.01463 1.01463 (605.45703, 4660.2803)(606.46545, 2868.246)(607.459, 1308.06)(627.4414, 2142.5466) 5 604.4484 604.4484@1.01463 + 763.2097@1.0162723 1.0162723 (764.2169, 17843.7)(765.2125, 5675.575)(766.2135, 2850.62) 2 763.2097 763.2097@1.0162723 + C41 H69 N4 O4 1.0160313 [ C41 H69 N4 O4, mfg=67.07, overall=67.07 ] (682.5398, 11164.353)(683.54193, 5655.4937)(704.52374, 1072.8933) 23 681.5317 C41 H69 N4 O4 + 686.1953@1.0269252 1.0269252 (687.2026, 370019.2)(688.20087, 168892.7)(689.20013, 55954.254)(690.19867, 19292.125)(691.19794, 5568.7266)(692.1955, 1776.908) 14 686.1953 686.1953@1.0269252 + 698.6001@1.0360886 1.0360886 (699.6076, 2086.6533)(700.6221, 849.56) 3 698.6001 698.6001@1.0360886 + 837.2273@1.0189514 1.0189514 (838.2343, 12397.279)(839.2315, 4031.9739)(840.22894, 1830.2383)(841.2261, 613.51) 8 837.2273 837.2273@1.0189514 + DG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0) 1.0194954 DG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0) [ C41 H66 O5, mfg=45.37, db=16.65, overall=31.01, HMP ID=HMDB07286, METLIN ID=58838 ] (656.5261, 7741.5527)(657.5292, 3981.1829)(658.5412, 14275.093)(659.5449, 6463.1875)(660.5548, 6558.331)(661.5573, 3072.92)(662.57025, 3528.675) 11 655.5185 DG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0) HMDB07286 + 612.1759@1.08731 1.08731 (613.1832, 190590.86)(614.1813, 84022.51)(615.1812, 43979.24)(616.1799, 13529.488)(617.1791, 3302.225)(618.17975, 806.525) 8 612.1759 612.1759@1.08731 + 543.5211@1.0257856 1.0257856 (544.5262, 2165.5535)(545.5319, 1062.71)(546.50745, 1043.55) 3 543.5211 543.5211@1.0257856 + 562.4596@1.0209988 1.0209988 (563.4691, 1633.9801)(580.49365, 1419.9332)(581.5012, 807.515)(582.4736, 1380.34) 5 562.4596 562.4596@1.0209988 + DG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/0:0) 1.0234065 DG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/0:0) [ C39 H66 O5, mfg=47.58, db=9.84, overall=28.71, HMP ID=HMDB07249, METLIN ID=58814 ] (632.525, 3967.1775)(633.5246, 2347.82)(634.54, 15594.09)(635.5432, 6972.76)(636.55524, 16198.192)(637.5593, 2568.66)(638.5696, 4410.8) 18 631.5177 DG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/0:0) HMDB07249 + 595.5167@1.0226519 1.0226519 (596.524, 6449.38)(597.5274, 3024.99)(598.5395, 6239.53)(599.5429, 2110.99) 1 595.5167 595.5167@1.0226519 + 666.5273@1.0221419 1.0221419 (667.532, 1511.1) 2 666.5273 666.5273@1.0221419 + 602.5232@1.0236514 1.0236514 (603.5305, 1311.74) 1 602.5232 602.5232@1.0236514 + 590.4902@1.0249254 1.0249254 (591.4973, 1346.4067)(592.4965, 1095.02)(593.5101, 1323.6)(608.52374, 5840.967)(609.5222, 3325.1667) 3 590.4902 590.4902@1.0249254 + 571.5488@1.0256501 1.0256501 (572.556, 2043.23)(573.5588, 905.65)(574.5398, 6710.75)(575.5403, 3756.96) 1 571.5488 571.5488@1.0256501 + 368.3435@1.0230937 1.0230937 (369.35098, 5243.223)(370.3541, 1849.19) 3 368.3435 368.3435@1.0230937 + 555.4838@1.0411414 1.0411414 (556.49194, 2521.2937)(557.4985, 1132.9556)(558.4932, 2488.9473)(573.5214, 1032.3033) 11 555.4838 555.4838@1.0411414 + 515.4883@1.0266495 1.0266495 (516.4956, 1487.93)(517.4982, 740.7)(518.4788, 1227.8) 1 515.4883 515.4883@1.0266495 + 529.5062@1.0266495 1.0266495 (530.513, 2287.08)(531.5156, 1093.7)(552.496, 1511.61)(553.499, 741.16)(554.5107, 1330.26) 1 529.5062 529.5062@1.0266495 + 642.5719@1.0352015 1.0352015 (643.57104, 2177.23)(644.5841, 1251.12)(660.6072, 1841.06)(661.6131, 1052.99)(662.5909, 1227.91) 2 642.5719 642.5719@1.0352015 + 599.5118@1.0298929 1.0298929 (600.5187, 7241.7314)(601.52246, 3305.4)(602.5173, 2560.7234)(617.5475, 1235.0) 7 599.5118 599.5118@1.0298929 + 671.6049@1.032646 1.032646 (672.6122, 1692.56)(673.6175, 913.69)(674.6162, 1712.63) 1 671.6049 671.6049@1.032646 + 1281.4049@1.0427537 1.0427537 (1282.4125, 2531.8118) 19 1281.4049 1281.4049@1.0427537 + CMP-pseudaminic acid 1.0360416 C20083 CMP-pseudaminic acid [ C22 H34 N5 O15 P, db=10.18, overall=10.18, KEGG ID=C20083, METLIN ID=73534 ] (1296.3966, 16651.342)(1297.3639, 4411.48)(1298.3877, 6281.567)(1299.3599, 2176.12)(1300.373, 1585.45) 19 1295.3909 CMP-pseudaminic acid + 1290.394@1.0398548 1.0398548 (1291.4021, 3644.9526) 20 1290.394 1290.394@1.0398548 + 1286.3986@1.0422459 1.0422459 (1287.4069, 1855.9359) 5 1286.3986 1286.3986@1.0422459 + 1288.3975@1.0419782 1.0419782 (1289.405, 2900.5496) 14 1288.3975 1288.3975@1.0419782 + 703.629@1.0565634 1.0565634 (704.63605, 1420.3867)(705.6272, 882.475) 3 703.629 703.629@1.0565634 + 149.0202@1.0546328 1.0546328 (150.0275, 2640.9) 1 149.0202 149.0202@1.0546328 + 403.2296@1.0546328 1.0546328 (404.2368, 5682.66)(405.2318, 1856.03) 1 403.2296 403.2296@1.0546328 + 611.4399@1.0621771 1.0621771 (612.4468, 10326.755)(613.4487, 4986.3887)(614.44824, 2996.8438)(594.4348, 1675.175)(629.4737, 1588.21) 17 611.4399 611.4399@1.0621771 + 563.2888@1.0591367 1.0591367 (564.29614, 10012.885)(565.29974, 3931.795) 2 563.2888 563.2888@1.0591367 + 1298.354@1.0238183 1.0238183 (1299.3597, 2004.8643)(1300.3892, 1861.0267)(1301.3567, 554.95) 7 1298.354 1298.354@1.0238183 + 920.7663@1.0666183 1.0666183 (921.7733, 7128.083)(922.7835, 6437.76)(923.7873, 3657.14) 5 920.7663 920.7663@1.0666183 + 917.7464@1.065265 1.065265 (918.75684, 1711.9138)(919.7567, 1100.385)(920.7695, 11514.237) 5 917.7464 917.7464@1.065265 + 559.444@1.064832 1.064832 (560.4542, 6862.561)(561.4578, 3321.8718)(562.4566, 2817.708)(577.4824, 13350.78)(578.485, 5805.47)(579.4892, 3980.27)(582.4323, 4947.1978)(583.4315, 2587.7542)(584.4162, 5550.47)(585.418, 2021.8)(586.4328, 0.0) 20 559.444 559.444@1.064832 + 475.3855@1.0729766 1.0729766 (476.3905, 2689.28)(498.37546, 4071.095)(499.3716, 2428.74)(500.3889, 4682.14) 2 475.3855 475.3855@1.0729766 + C15 H35 N10 O2 1.0704263 [ C15 H35 N10 O2, mfg=47.48, overall=47.48 ] (388.30374, 6664.3315)(389.30383, 3225.8079)(370.29138, 1451.175)(405.332, 3319.58)(410.2859, 1840.27) 22 387.2968 C15 H35 N10 O2 + 603.5447@1.0531045 1.0531045 (604.54694, 2304.2)(605.5614, 1446.095)(626.5352, 2759.66)(627.5404, 1573.98) 2 603.5447 603.5447@1.0531045 + 497.4081@1.0746679 1.0746679 (498.41568, 2464.7651)(499.4276, 1350.6775)(500.42575, 2144.25) 4 497.4081 497.4081@1.0746679 + 465.312@1.0746207 1.0746207 (466.3192, 2466.48) 1 465.312 465.312@1.0746207 + 639.4414@1.0644174 1.0644174 (640.4485, 2537.5444)(641.4497, 1625.6499)(642.4452, 1504.8519)(643.4338, 0.0)(657.4706, 2504.9)(662.4468, 1160.12) 9 639.4414 639.4414@1.0644174 + 629.522@1.0771691 1.0771691 (630.5287, 11104.144)(631.52905, 4594.0903)(632.5291, 1939.8)(652.5124, 2418.92) 3 629.522 629.522@1.0771691 + 479.1939@1.0752983 1.0752983 (480.2021, 2222.6326)(481.2062, 953.7749)(482.2144, 572.41) 13 479.1939 479.1939@1.0752983 + 557.3546@1.0799956 1.0799956 (558.362, 3334.885)(559.3632, 1755.59) 2 557.3546 557.3546@1.0799956 + 921.7769@1.0732695 1.0732695 (922.78235, 7990.7456)(923.7862, 5420.273)(924.7964, 4057.807)(925.8015, 1890.1733)(944.76874, 1789.748)(945.77124, 1366.0924)(946.7845, 3553.2876)(947.78827, 2186.8376)(948.79834, 2389.7173) 9 921.7769 921.7769@1.0732695 + 324.2091@1.0805224 1.0805224 (666.4521, 1419.14)(667.4587, 979.69)(325.21774, 7150.578)(326.2204, 6151.43) 7 324.2091 324.2091@1.0805224 + 546.3955@1.07411 1.07411 (547.4032, 16424.71)(548.4059, 9335.69)(549.4049, 2944.79)(564.4293, 758089.2)(565.4328, 262414.47)(566.4327, 79569.62)(567.4345, 18652.53)(569.38477, 39930.805)(570.38904, 14201.43)(571.38873, 5262.745) 2 546.3955 546.3955@1.07411 + 648.4817@1.0756978 1.0756978 (649.48956, 1963.23) 3 648.4817 648.4817@1.0756978 + Capsi-amide 1.0795077 C17515 Capsi-amide [ C17 H35 N O, mfg=79.79, db=79.73, overall=79.76, CAS ID=64317-66-4, KEGG ID=C17515, METLIN ID=71748 ] 64317-66-4 (270.27872, 4883.7456)(271.28137, 1169.0421) 14 269.2714 Capsi-amide + 500.3516@1.0826157 1.0826157 (501.3589, 3383.77) 1 500.3516 500.3516@1.0826157 + C32 H55 Cl N2 1.094733 [ C32 H55 Cl N2, mfg=48.52, overall=24.26 ] (503.40796, 5786.3403)(504.4197, 2945.84)(505.4215, 3705.42)(525.3947, 1485.92) 8 502.4015 C32 H55 Cl N2 + 452.3513@1.0880451 1.0880451 (453.35233, 3579.6416)(435.3498, 3753.58)(475.3383, 3215.75) 6 452.3513 452.3513@1.0880451 + 687.6043@1.0799341 1.0799341 (688.61127, 3773.9766)(689.61395, 1989.5684) 6 687.6043 687.6043@1.0799341 + 734.6501@1.0754141 1.0754141 (735.65234, 1046.8301)(736.66614, 703.4)(737.6749, 822.48) 2 734.6501 734.6501@1.0754141 + 286.1932@1.1056737 1.1056737 (573.3927, 1639.94)(590.4249, 5508.04)(287.2006, 3715.4524)(288.20676, 1362.5734)(269.1875, 2714.5952)(270.1831, 889.21) 8 286.1932 286.1932@1.1056737 + 342.2193@1.1018866 1.1018866 (702.4665, 1561.18)(343.22626, 13997.964)(344.23154, 6862.57)(365.2058, 2720.45) 14 342.2193 342.2193@1.1018866 + 617.4667@1.0807005 1.0807005 (618.47546, 2644.34)(619.471, 2251.84)(600.4639, 4344.62)(601.4553, 2136.71)(602.4735, 4172.96) 2 617.4667 617.4667@1.0807005 + 622.5143@1.0866133 1.0866133 (623.5216, 1428.41) 1 622.5143 622.5143@1.0866133 + 414.3696@1.0871264 1.0871264 (415.37616, 6288.8486)(416.37814, 2565.7908)(417.3756, 1318.71)(397.36746, 1935.2982)(432.40356, 7405.707)(433.40576, 2572.3035)(437.35916, 4690.4067)(438.36334, 2615.018) 20 414.3696 414.3696@1.0871264 + 484.2679@1.0920917 1.0920917 (485.27655, 2163.7424)(486.2767, 1103.32) 4 484.2679 484.2679@1.0920917 + 478.3267@1.0974423 1.0974423 (479.32715, 3157.272)(496.3626, 2171.93)(497.3554, 1352.52) 5 478.3267 478.3267@1.0974423 + Tumonoic Acid I 1.0914599 Tumonoic Acid I [ C27 H47 N O7, db=61.20, overall=61.20, METLIN ID=65437 ] (1012.7045, 546.81)(498.34293, 7858.542)(499.3425, 3842.7275)(500.35214, 7873.455)(501.349, 3634.3) 15 497.3358 Tumonoic Acid I + 872.7658@1.0863247 1.0863247 (873.773, 13342.969)(874.7822, 9534.971)(875.787, 4602.565) 6 872.7658 872.7658@1.0863247 + Oleoyl Serotonin 1.1045661 Oleoyl Serotonin [ C28 H44 N2 O2, db=50.45, overall=25.23, CAS ID=1002100-44-8, METLIN ID=62948 ] 1002100-44-8 (441.3531, 5975.1353)(442.35303, 3104.3354)(443.34436, 2384.61)(463.3408, 3764.03) 20 440.3416 Oleoyl Serotonin + 479.31@1.094259 1.094259 (480.31784, 9655.759)(481.32074, 6124.098)(482.31296, 3422.498) 29 479.31 479.31@1.094259 + 337.2237@1.0936089 1.0936089 (338.231, 2800.41) 1 337.2237 337.2237@1.0936089 + 659.5963@1.0807196 1.0807196 (660.60126, 2106.2417)(661.607, 1103.9337)(642.5995, 2240.87)(643.5968, 1165.12)(644.58307, 1207.89) 12 659.5963 659.5963@1.0807196 + 745.588@1.1030729 1.1030729 (746.59503, 13510.995) 16 745.588 745.588@1.1030729 + 561.3338@1.110071 1.110071 (562.34155, 10087.016)(563.34564, 3987.6848)(564.35126, 3053.025) 4 561.3338 561.3338@1.110071 + 268.0737@1.1115975 1.1115975 (269.081, 2244.77) 1 268.0737 268.0737@1.1115975 + 900.7958@1.1100146 1.1100146 (901.80316, 5072.5767)(902.8083, 1940.46) 3 900.7958 900.7958@1.1100146 + 794.5069@1.1137149 1.1137149 (795.505, 1507.965)(796.5127, 1032.244) 10 794.5069 794.5069@1.1137149 + 673.5456@1.1071874 1.1071874 (674.5579, 3260.81)(675.5601, 1543.4911)(676.57495, 1191.8824) 9 673.5456 673.5456@1.1071874 + PA(20:2(11Z,14Z)/19:0) 1.1157641 PA(20:2(11Z,14Z)/19:0) [ C42 H79 O8 P, db=18.77, overall=18.77, Lipid ID=LMGP10010573, METLIN ID=81739 ] (743.561, 3428.2932)(744.5716, 2251.4575)(745.5757, 3447.3801) 17 742.5524 PA(20:2(11Z,14Z)/19:0) + LMGP10010573 287.2457@1.1210867 1.1210867 (288.25293, 3569.6038) 11 287.2457 287.2457@1.1210867 + C30 H52 N3 O6 1.117052 [ C30 H52 N3 O6, mfg=47.59, overall=47.59 ] (551.3931, 4250.4385)(552.3926, 3414.9883)(553.40173, 12368.761)(568.41956, 1972.5133) 16 550.3863 C30 H52 N3 O6 + 481.3777@1.1199757 1.1199757 (482.38724, 3031.1965)(483.4027, 1695.92)(484.395, 2446.93) 3 481.3777 481.3777@1.1199757 + 708.569@1.1207725 1.1207725 (709.57715, 2734.9268) 3 708.569 708.569@1.1207725 + 376.1855@1.1010286 1.1010286 (377.19482, 2575.2349)(394.2165, 1076.0) 2 376.1855 376.1855@1.1010286 + 464.3498@1.111626 1.111626 (465.356, 4802.7666)(466.36133, 2216.4434)(447.3469, 2630.5)(482.3831, 4526.1)(487.3404, 2553.78) 6 464.3498 464.3498@1.111626 + 648.5502@1.1236258 1.1236258 (649.55695, 1700.9551) 2 648.5502 648.5502@1.1236258 + 524.4026@1.1219909 1.1219909 (525.40314, 2197.4648)(526.423, 2066.22)(542.4347, 1177.0) 6 524.4026 524.4026@1.1219909 + N1,N4-Diacetylsulfanilamide 1.1239978 N1,N4-Diacetylsulfanilamide [ C10 H12 N2 O4 S, mfg=37.75, db=83.80, overall=60.78, CAS ID=5626-90-4, METLIN ID=2528 ] 5626-90-4 (547.1592, 1704.49)(274.0839, 21229.32)(275.0874, 3256.6174)(276.09027, 865.22) 13 273.0766 N1,N4-Diacetylsulfanilamide + 620.4608@1.1126142 1.1126142 (621.4667, 1746.5061)(622.4724, 1768.4)(623.4545, 1668.69)(603.45575, 2815.615)(604.4691, 1973.97)(638.4928, 2207.04)(639.4911, 1056.14)(640.4732, 1627.24)(643.4469, 1561.9366) 5 620.4608 620.4608@1.1126142 + 8(S)-HETrE 1.1339425 8(S)-HETrE [ C20 H34 O3, mfg=47.52, db=47.51, overall=47.52, Lipid ID=LMFA03050011, METLIN ID=36269 ] (667.4868, 708.635)(323.25735, 4585.3506)(324.25677, 1811.107)(305.2451, 2136.97)(340.2848, 5287.86) 14 322.2504 8(S)-HETrE + LMFA03050011 C18 H25 N2 O4 1.1223956 [ C18 H25 N2 O4, mfg=68.72, overall=68.72 ] (334.18878, 9586.18)(335.18573, 3810.2136)(351.21582, 14786.618)(352.21774, 5017.7046)(353.20764, 1360.015) 21 333.182 C18 H25 N2 O4 + 613.4623@1.1245893 1.1245893 (614.4696, 2118.84) 1 613.4623 613.4623@1.1245893 + C15 H35 N10 O2 + 1.1312696 1.1312696 [ C15 H35 N10 O2, mfg=47.55, overall=47.55 ] (388.30038, 5337.8203)(389.30576, 2703.7766)(390.2845, 10793.07)(370.2942, 27217.318)(371.3001, 12410.806)(410.2835, 2021.2949) 10 387.2976 C15 H35 N10 O2 + 1.1312696 + 1204.3245@1.102914 1.102914 (1205.3276, 4629.357)(1206.3263, 2992.832)(1207.3251, 1715.3956) 9 1204.3245 1204.3245@1.102914 + 446.2321@1.1063507 1.1063507 (447.23608, 1590.075) 2 446.2321 446.2321@1.1063507 + 493.4477@1.1277113 1.1277113 (494.45364, 3116.4143)(495.4554, 1441.3644)(496.4673, 1645.8914)(497.4787, 327.63)(476.4435, 1062.752)(477.4471, 761.22) 19 493.4477 493.4477@1.1277113 + 510.3876@1.1225665 1.1225665 (511.3962, 2959.456)(493.385, 3270.92)(494.3944, 1966.78)(528.41925, 3858.0352)(529.4161, 2381.28)(530.409, 4100.505)(533.3845, 3434.43) 9 510.3876 510.3876@1.1225665 + 321.2478@1.124603 1.124603 (643.4963, 1476.01)(660.5288, 3335.1548)(661.5401, 2142.53)(322.25247, 3883.9878)(344.2372, 19566.89)(345.2418, 5349.5) 5 321.2478 321.2478@1.124603 + 280.2028@1.1274985 1.1274985 (561.413, 5446.303)(562.41327, 3138.63)(563.4269, 3325.08)(281.20828, 2775.518)(282.2065, 884.36)(263.19925, 2790.985)(264.2003, 878.15)(303.19174, 2962.3398) 5 280.2028 280.2028@1.1274985 + 580.4354@1.1317717 1.1317717 (581.4406, 2073.8132)(603.4284, 1706.92) 3 580.4354 580.4354@1.1317717 + 514.3669@1.1160169 1.1160169 (515.3744, 3959.385) 2 514.3669 514.3669@1.1160169 + 372.1939@1.1593026 1.1593026 (373.20065, 7428.723)(374.21066, 3703.7615)(355.19135, 7061.91)(395.1835, 1957.87) 14 372.1939 372.1939@1.1593026 + 263.2438@1.1348542 1.1348542 (264.25046, 1804.61)(286.2356, 1317.9651) 5 263.2438 263.2438@1.1348542 + 207.1627@1.1387193 1.1387193 (208.16971, 8463.256) 8 207.1627 207.1627@1.1387193 + 198.1836@1.1387041 1.1387041 (199.1909, 2602.145)(221.1728, 1897.15) 4 198.1836 198.1836@1.1387041 + 207.0534@1.1349356 1.1349356 (208.06093, 4566.1367)(209.0647, 1095.49)(230.04214, 1238.4551) 3 207.0534 207.0534@1.1349356 + 451.3317@1.1089664 1.1089664 (452.3319, 3880.2266)(453.33716, 2521.6765)(454.3461, 2143.04)(469.36, 2770.68) 9 451.3317 451.3317@1.1089664 + 381.3592@1.1467595 1.1467595 (382.366, 3973.3364)(383.36917, 1361.6481)(384.3762, 1034.88) 19 381.3592 381.3592@1.1467595 + Eicosanedioic acid 1.1674825 Eicosanedioic acid [ C20 H38 O4, mfg=45.92, db=70.14, overall=58.03, Lipid ID=LMFA01170035, METLIN ID=35987 ] (360.3116, 12566.308)(361.31696, 3543.5417) 19 359.3056 Eicosanedioic acid + LMFA01170035 227.2234@1.1464751 1.1464751 (228.23048, 8018.29)(229.23242, 1479.373) 13 227.2234 227.2234@1.1464751 + 16(S)-HETE 1.1067971 16(S)-HETE [ C20 H32 O3, mfg=51.53, db=44.75, overall=48.14, CAS ID=183509-23-1, METLIN ID=44888 ] 183509-23-1 (321.2418, 11620.046)(322.25064, 4509.868)(338.2696, 2904.26)(343.22598, 25190.152)(344.2313, 10476.837) 11 320.2361 16(S)-HETE + 268.132@1.1509064 1.1509064 (269.13824, 4230.9204)(270.13968, 1310.2201)(286.16537, 3810.4023)(287.1641, 1647.865) 6 268.132 268.132@1.1509064 + 3?-Hydroxy-12-oxo-5?-chol-6-en-24-oic Acid 1.1548241 3?-Hydroxy-12-oxo-5?-chol-6-en-24-oic Acid [ C24 H36 O4, mfg=82.31, db=47.58, overall=64.95, METLIN ID=42963 ] (389.26852, 25380.936)(371.25848, 16541.207)(372.26154, 4613.7705) 11 388.2613 3?-Hydroxy-12-oxo-5?-chol-6-en-24-oic Acid + 310.1776@1.1585003 1.1585003 (638.3878, 843.43)(311.1853, 9814.964)(312.18423, 3313.558)(313.18097, 3135.5156)(328.21182, 4716.0054)(329.2101, 1730.6226)(333.16852, 2966.545) 17 310.1776 310.1776@1.1585003 + DG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) 1.1618862 DG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) [ C40 H68 O5, mfg=37.27, db=50.26, overall=43.76, HMP ID=HMDB07091, METLIN ID=58726 ] (651.4931, 2208.99)(652.497, 1660.6193) 17 650.4857 DG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) HMDB07091 + 252.1363@1.160065 1.160065 (253.14342, 14675.387)(254.14864, 2525.3645)(235.13342, 3687.5332)(270.1732, 1468.24)(275.1267, 2149.2883)(276.126, 1587.76) 17 252.1363 252.1363@1.160065 + 489.3342@1.1602714 1.1602714 (490.3398, 5099.5674)(491.33658, 2234.6318)(492.3378, 2078.53)(507.36584, 1697.63) 14 489.3342 489.3342@1.1602714 + 439.2061@1.1528821 1.1528821 (440.21887, 2219.9963)(441.2185, 458.22)(457.2405, 4296.235) 8 439.2061 439.2061@1.1528821 + 246.1475@1.1863239 1.1863239 (247.155, 7107.46)(248.15663, 2091.5168)(249.14801, 2730.9834)(264.17975, 4668.7)(269.13773, 3816.6768)(270.1398, 1362.22) 10 246.1475 246.1475@1.1863239 + 425.361@1.1388352 1.1388352 (426.36285, 3287.2285)(427.36377, 1393.726)(443.3827, 1759.12) 7 425.361 425.361@1.1388352 + 302.2432@1.1629237 1.1629237 (303.24902, 2392.0203)(304.2521, 972.22) 3 302.2432 302.2432@1.1629237 + 396.3691@1.1700382 1.1700382 (397.37628, 4313.17)(398.3684, 2477.2783)(414.39685, 1143.98) 13 396.3691 396.3691@1.1700382 + 307.2749@1.1751083 1.1751083 (308.2817, 22080.299)(309.28445, 5334.184) 9 307.2749 307.2749@1.1751083 + 627.4756@1.1852429 1.1852429 (628.48676, 3432.3086)(629.4914, 1671.472)(630.4724, 1222.475)(645.505, 1196.55) 6 627.4756 627.4756@1.1852429 + Stypoltrione 1.1792867 Stypoltrione [ C27 H36 O4, mfg=71.96, db=71.95, overall=71.95, METLIN ID=65401 ] (425.26895, 7452.708)(426.27115, 3085.533)(427.2738, 1800.05) 11 424.2617 Stypoltrione + 301.1563@1.1805526 1.1805526 (302.1608, 2306.35)(284.1521, 1377.6)(319.191, 4179.55)(320.1971, 1856.18) 1 301.1563 301.1563@1.1805526 + C38 H63 N5 O S 1.1776949 [ C38 H63 N5 O S, mfg=60.45, overall=60.45 ] (638.48206, 2022.308)(639.4863, 1171.511)(660.4693, 1460.12) 14 637.4763 C38 H63 N5 O S + C23 H35 N2 1.159182 [ C23 H35 N2, mfg=58.67, overall=58.67 ] (679.5685, 2844.3)(680.5674, 1633.91)(340.2847, 4958.4536)(322.2738, 9106.34) 12 339.2765 C23 H35 N2 + 881.7137@1.1925445 1.1925445 (882.721, 1273.59)(883.721, 854.71) 1 881.7137 881.7137@1.1925445 + 398.3865@1.1973006 1.1973006 (399.3938, 3186.1274) 4 398.3865 398.3865@1.1973006 + 256.1674@1.1930588 1.1930588 (257.1749, 3862.0266) 3 256.1674 256.1674@1.1930588 + C27 H51 N S 1.1893173 [ C27 H51 N S, mfg=69.83, overall=69.83 ] (422.38284, 8916.634)(423.3856, 2576.8086)(424.376, 1944.67) 13 421.3757 C27 H51 N S + C12 H23 N O + 1.1887863 1.1887863 [ C12 H23 N O, mfg=81.71, overall=81.71 ] (412.3889, 7984.9463)(413.38995, 2806.7156)(414.39478, 772.18005)(198.18503, 6445.2104)(199.18823, 1636.9991)(220.17, 1448.51) 21 197.1776 C12 H23 N O + 1.1887863 + 453.3088@1.1985403 1.1985403 (454.3161, 11305.29) 1 453.3088 453.3088@1.1985403 + 321.2185@1.2052112 1.2052112 (643.4494, 893.71)(660.46875, 1373.62)(322.2244, 5490.5986)(323.22128, 2419.8118)(304.2138, 2865.03)(339.2526, 7468.31) 13 321.2185 321.2185@1.2052112 + 220.1462@1.1986291 1.1986291 (221.15291, 9024.574)(222.15137, 2018.014)(203.14195, 1368.165) 5 220.1462 220.1462@1.1986291 + 347.2776@1.1930757 1.1930757 (695.5693, 2337.51)(696.5832, 1632.45)(348.28613, 16386.002)(349.28647, 7377.1494) 11 347.2776 347.2776@1.1930757 + 363.2992@1.1761146 1.1761146 (364.305, 5314.156)(365.30753, 2306.4033)(366.2995, 25000.06)(367.3011, 6349.9)(368.314, 45327.3)(386.29, 7019.3)(387.298, 2400.27) 5 363.2992 363.2992@1.1761146 + 1278.3429@1.2013028 1.2013028 (1279.3501, 2300.995)(1280.3496, 2092.21)(1281.3474, 1470.26)(1282.3497, 233.27) 2 1278.3429 1278.3429@1.2013028 + 621.4542@1.190106 1.190106 (622.46246, 1378.4067)(623.45764, 1045.32) 3 621.4542 621.4542@1.190106 + 252.1364@1.2323307 1.2323307 (253.14392, 11884.587)(254.148, 2216.4746)(235.1329, 4750.19)(270.1705, 2323.6328)(275.1273, 1391.98) 12 252.1364 252.1364@1.2323307 + 661.4534@1.2428901 1.2428901 (662.45496, 1187.83)(663.4608, 795.89) 4 661.4534 661.4534@1.2428901 + 134.1093@1.1140058 1.1140058 (135.1166, 69303.87)(136.11873, 9725.446) 9 134.1093 134.1093@1.1140058 + 304.2604@1.222332 1.222332 (305.2674, 5952.8447)(287.25735, 3574.9534)(288.2586, 1182.9375)(322.2933, 1755.97)(327.25092, 2066.425) 15 304.2604 304.2604@1.222332 + 189.0532@1.2282891 1.2282891 (190.06108, 3912.625)(191.0721, 2206.95) 4 189.0532 189.0532@1.2282891 + 236.0691@1.2345479 1.2345479 (237.07588, 5281.204)(238.07848, 1316.6111)(239.08191, 3253.616) 10 236.0691 236.0691@1.2345479 + 226.075@1.2380503 1.2380503 (227.08272, 7552.859)(228.08638, 1981.92) 11 226.075 226.075@1.2380503 + 388.2602@1.239512 1.239512 (389.2675, 8213.46)(406.294, 5860.69) 1 388.2602 388.2602@1.239512 + 272.2462@1.2411952 1.2411952 (545.50226, 1303.8799)(273.25287, 5847.82)(274.25372, 1491.4962)(275.2596, 881.25) 15 272.2462 272.2462@1.2411952 + 309.2149@1.2250956 1.2250956 (310.22375, 13686.162)(311.22357, 3922.3462)(312.21704, 3629.2102)(327.2507, 2950.83)(332.2078, 2584.52) 11 309.2149 309.2149@1.2250956 + 386.2484@1.2324001 1.2324001 (387.25012, 3482.0898)(404.2746, 3326.4275) 5 386.2484 386.2484@1.2324001 + 354.244@1.2518566 1.2518566 (355.2511, 7741.0254)(356.2448, 1541.88) 2 354.244 354.244@1.2518566 + 470.3393@1.2524524 1.2524524 (471.34436, 3406.47)(472.34607, 2264.1902)(473.34555, 1614.44) 6 470.3393 470.3393@1.2524524 + 279.2057@1.2515035 1.2515035 (280.2123, 3522.97)(262.1994, 1881.06)(302.1959, 6850.81) 1 279.2057 279.2057@1.2515035 + 322.2443@1.2547033 1.2547033 (323.25446, 7655.5146)(345.2427, 2144.48) 4 322.2443 322.2443@1.2547033 + 713.5641@1.2241476 1.2241476 (714.5718, 2112.4912)(715.5798, 1338.395)(716.5605, 1146.8167) 8 713.5641 713.5641@1.2241476 + 453.3276@1.2548015 1.2548015 (454.33682, 4666.0737)(476.31845, 2002.4199) 6 453.3276 453.3276@1.2548015 + 777.5235@1.2552743 1.2552743 (778.52484, 1444.8467)(779.5536, 1466.08)(795.5564, 878.23)(796.5697, 825.48)(797.5751, 1130.43)(800.5091, 703.76) 3 777.5235 777.5235@1.2552743 + 404.2573@1.253502 1.253502 (405.2646, 4991.81) 1 404.2573 404.2573@1.253502 + 523.3785@1.2545013 1.2545013 (524.3858, 2881.36)(525.3762, 1733.26) 1 523.3785 523.3785@1.2545013 + 766.5946@1.2569032 1.2569032 (767.6072, 1786.475)(768.6222, 1077.75) 2 766.5946 766.5946@1.2569032 + 435.2921@1.1958008 1.1958008 (436.2942, 5517.355)(437.2874, 1565.38)(438.3021, 4509.02)(439.308, 2280.45)(453.3274, 2036.59) 2 435.2921 435.2921@1.1958008 + C19 H35 N2 O3 1.2563901 [ C19 H35 N2 O3, mfg=47.46, overall=47.46 ] (679.5442, 747.94)(340.2695, 21638.89)(341.27042, 9698.48)(342.26736, 3311.7122)(322.2617, 5020.75)(362.25076, 2786.2524) 24 339.2611 C19 H35 N2 O3 + 188.154@1.2558221 1.2558221 (189.1623, 3307.22)(190.162, 898.13) 2 188.154 188.154@1.2558221 + C39 H60 Cl N S 1.2691989 [ C39 H60 Cl N S, mfg=65.12, overall=65.12 ] (610.4162, 2545.921)(611.4197, 1336.5166)(612.4304, 1547.84) 18 609.4092 C39 H60 Cl N S + 488.348@1.2555007 1.2555007 (489.3553, 2273.84) 1 488.348 488.348@1.2555007 + 239.152@1.2577169 1.2577169 (479.3056, 1678.39)(496.33505, 2130.144)(497.3442, 1567.94)(501.2942, 842.88)(240.1591, 11333.249)(241.1527, 2560.4534)(257.18616, 6838.427)(262.13892, 2117.6875) 13 239.152 239.152@1.2577169 + 737.6351@1.2582796 1.2582796 (738.64185, 8290.74)(739.65137, 3138.4268)(740.6567, 1947.1068) 5 737.6351 737.6351@1.2582796 + 507.3735@1.2598766 1.2598766 (508.37952, 7687.8306)(509.3771, 2809.46)(530.3607, 996.47) 9 507.3735 507.3735@1.2598766 + 546.4758@1.2589928 1.2589928 (547.48175, 3027.778)(548.48334, 1514.1799)(549.4949, 1751.1) 6 546.4758 546.4758@1.2589928 + 748.5976@1.2575473 1.2575473 (749.6035, 2030.23)(750.6018, 1297.9567)(751.61914, 4324.99)(752.61865, 3132.32)(753.6337, 7306.8667)(771.5782, 1164.02) 3 748.5976 748.5976@1.2575473 + 383.2497@1.2665273 1.2665273 (384.25763, 8827.986)(385.253, 3271.3433)(386.25302, 3000.506)(366.2473, 3632.06) 9 383.2497 383.2497@1.2665273 + 645.492@1.2574992 1.2574992 (646.4994, 2810.87)(647.4985, 2217.5)(668.481, 1193.73) 1 645.492 645.492@1.2574992 + 146.1092@1.2188251 1.2188251 (293.22946, 3132.6934)(310.2553, 4621.71)(311.2556, 1611.86)(312.2496, 2892.48)(147.1165, 3028.4487)(148.11877, 1076.05) 9 146.1092 146.1092@1.2188251 + 600.4814@1.2599893 1.2599893 (601.48425, 2553.7332)(602.4876, 1329.3392)(603.4759, 1912.2388) 13 600.4814 600.4814@1.2599893 + 288.2429@1.2971598 1.2971598 (577.492, 1178.054)(578.494, 848.91003)(289.25, 3540.7605)(290.24957, 980.1762)(291.25168, 1118.43) 12 288.2429 288.2429@1.2971598 + 304.1919@1.2595625 1.2595625 (609.3945, 1152.92)(305.1971, 9345.326)(306.1972, 4276.62)(322.2252, 3074.1)(327.1748, 2269.53) 8 304.1919 304.1919@1.2595625 + 604.4678@1.2630668 1.2630668 (605.4756, 3995.8733)(606.4812, 2442.3)(607.4599, 14378.02)(608.4666, 4582.9)(622.5102, 675.5) 3 604.4678 604.4678@1.2630668 + 129.1151@1.2572954 1.2572954 (259.23914, 2207.98)(130.12228, 3117.468) 5 129.1151 129.1151@1.2572954 + 759.5068@1.2585979 1.2585979 (760.51416, 3530.76)(761.51855, 1775.45)(762.52936, 1931.91)(763.53546, 830.905) 2 759.5068 759.5068@1.2585979 + 811.5599@1.2604971 1.2604971 (812.5672, 1309.22)(813.5777, 781.49)(814.5871, 741.44) 1 811.5599 811.5599@1.2604971 + 255.1812@1.2935095 1.2935095 (256.18756, 7428.463)(257.1869, 1680.29)(238.1783, 14075.43)(239.18, 2823.83) 4 255.1812 255.1812@1.2935095 + 617.4659@1.2300904 1.2300904 (618.4701, 8070.6997)(619.483, 12543.6)(620.4924, 3819.27)(600.452, 3055.54)(601.448, 1887.65)(602.4365, 2019.32) 4 617.4659 617.4659@1.2300904 + 580.48@1.2633052 1.2633052 (581.4876, 5034.993)(582.484, 2776.38) 3 580.48 580.48@1.2633052 + 550.4709@1.2684029 1.2684029 (551.4779, 3561.6091)(533.4657, 1145.7)(534.4676, 700.03)(573.45795, 1436.5366)(574.4642, 1011.37)(575.4737, 720.05) 17 550.4709 550.4709@1.2684029 + 470.3709@1.2700292 1.2700292 (471.37662, 4381.1685)(472.37262, 2051.0264)(473.37976, 1350.385)(453.3673, 3570.28)(493.36118, 2541.7666) 15 470.3709 470.3709@1.2700292 + 536.4517@1.2699642 1.2699642 (537.4598, 1427.485) 2 536.4517 536.4517@1.2699642 + 847.6224@1.2685258 1.2685258 (848.62976, 2224.8188)(849.6325, 1333.2363)(850.6298, 1000.29) 8 847.6224 847.6224@1.2685258 + 613.4732@1.2291784 1.2291784 (614.487, 3615.1)(615.4814, 1745.79)(616.4615, 2476.45)(596.4878, 2671.94) 4 613.4732 613.4732@1.2291784 + 639.4482@1.215113 1.215113 (640.4534, 2796.1768)(641.46027, 1485.8066)(642.43915, 925.36) 3 639.4482 639.4482@1.215113 + 554.4651@1.2888554 1.2888554 (555.47046, 1730.8955)(556.46533, 1058.04)(577.4504, 1752.9252) 12 554.4651 554.4651@1.2888554 + 232.1473@1.2799128 1.2799128 (482.3311, 5928.1)(483.3303, 3258.03)(233.15385, 5290.978)(234.15175, 1587.255) 5 232.1473 232.1473@1.2799128 + 324.2848@1.2549872 1.2549872 (325.28796, 3214.14) 2 324.2848 324.2848@1.2549872 + 484.2435@1.3198932 1.3198932 (485.25186, 1736.2416)(486.2566, 968.81836)(507.2408, 1589.24)(508.244, 972.84) 12 484.2435 484.2435@1.3198932 + 258.1468@1.3080586 1.3080586 (259.15417, 3848.4001)(260.1577, 962.79)(261.1478, 1349.75) 3 258.1468 258.1468@1.3080586 + 837.7759@1.3194538 1.3194538 (838.7832, 839.38) 1 837.7759 837.7759@1.3194538 + 347.1544@1.3124171 1.3124171 (348.16116, 3843.4172)(349.16574, 2033.655) 7 347.1544 347.1544@1.3124171 + 366.1681@1.2929225 1.2929225 (367.1749, 2262.5273)(368.1779, 933.85333) 4 366.1681 366.1681@1.2929225 + 426.344@1.3404753 1.3404753 (427.352, 2865.949)(428.35513, 994.70123)(449.3329, 1353.01) 10 426.344 426.344@1.3404753 + 440.1963@1.3407634 1.3407634 (441.20435, 3786.6367)(442.20654, 1560.5267) 3 440.1963 440.1963@1.3407634 + 410.3501@1.353953 1.353953 (411.35602, 2248.8425)(412.3604, 1070.11)(413.3661, 783.52) 4 410.3501 410.3501@1.353953 + 269.0953@1.3418378 1.3418378 (270.10342, 3953.81)(271.11255, 1534.2542) 11 269.0953 269.0953@1.3418378 + 332.2569@1.3434356 1.3434356 (333.2643, 3184.89)(334.2646, 705.46)(335.2606, 699.69)(355.2461, 2976.9) 1 332.2569 332.2569@1.3434356 + 346.2348@1.3734125 1.3734125 (347.241, 7279.24)(348.242, 2526.77)(364.2664, 1354.46)(369.2249, 9270.98) 1 346.2348 346.2348@1.3734125 + 237.1351@1.3537717 1.3537717 (238.14229, 19135.447)(239.14973, 7494.74)(220.13345, 22661.355)(260.12708, 1009.155) 5 237.1351 237.1351@1.3537717 + 318.1222@1.4019438 1.4019438 (319.13043, 3839.8525)(320.13507, 1280.3033)(336.1546, 885.91)(341.1152, 1044.01) 4 318.1222 318.1222@1.4019438 + C10 H14 N3 O3 1.3696795 [ C10 H14 N3 O3, mfg=76.41, overall=76.41 ] (449.21368, 2157.53)(450.2311, 540.91)(225.11028, 12289.436)(226.11357, 2284.6943)(207.1011, 959.66)(242.13931, 1190.2) 21 224.1029 C10 H14 N3 O3 + 212.1426@1.4163785 1.4163785 (213.1499, 8468.31) 1 212.1426 212.1426@1.4163785 + 617.4654@1.4203752 1.4203752 (618.4729, 9232.95)(619.4764, 4295.27)(620.4838, 1054.45)(640.454, 3095.29)(641.4585, 1632.66) 1 617.4654 617.4654@1.4203752 + 363.1491@1.4233729 1.4233729 (364.1563, 2873.01) 1 363.1491 363.1491@1.4233729 + 601.3772@1.4263704 1.4263704 (602.3844, 1556.96) 1 601.3772 601.3772@1.4263704 + 320.1236@1.4417607 1.4417607 (321.13095, 10699.526)(322.13446, 2926.2551) 3 320.1236 320.1236@1.4417607 + 889.6317@1.4343638 1.4343638 (890.6389, 1091.82)(891.6447, 807.63) 1 889.6317 889.6317@1.4343638 + 549.2158@1.4656602 1.4656602 (550.223, 2542.4866)(551.22736, 1315.4801)(552.2295, 959.72) 3 549.2158 549.2158@1.4656602 + 272.1638@1.4353858 1.4353858 (562.3592, 647.29504)(273.1698, 5509.3237)(274.17087, 1346.3037)(275.16492, 1285.75)(255.1609, 2312.92)(290.19543, 1217.7474)(295.15387, 4684.3887)(296.1622, 1454.335) 16 272.1638 272.1638@1.4353858 + 376.1449@1.449739 1.449739 (377.15222, 2232.73)(378.1584, 982.185) 4 376.1449 376.1449@1.449739 + 462.8479@1.4530371 1.4530371 (463.85538, 2439.659) 12 462.8479 462.8479@1.4530371 + 721.4388@1.4534037 1.4534037 (722.4448, 1458.7151)(723.44885, 837.5) 2 721.4388 721.4388@1.4534037 + 875.1048@1.4549026 1.4549026 (876.1129, 2059.975)(877.10547, 1525.675)(878.1132, 1976.89)(879.1136, 1020.87)(880.1088, 1089.81) 2 875.1048 875.1048@1.4549026 + 878.5894@1.4533483 1.4533483 (879.5965, 4316.11)(880.6008, 2600.25)(881.6042, 1214.46)(901.5789, 2407.52)(902.5829, 1568.98) 1 878.5894 878.5894@1.4533483 + 726.3962@1.4595276 1.4595276 (727.4036, 3011.72)(728.4077, 1608.145)(729.4193, 1348.4926) 5 726.3962 726.3962@1.4595276 + 520.3154@1.4543475 1.4543475 (521.3227, 13320.06)(522.3269, 4962.67) 1 520.3154 520.3154@1.4543475 + 607.4072@1.4588995 1.4588995 (608.4157, 1821.575)(609.4171, 953.11)(630.3959, 1321.88)(631.3927, 918.81) 2 607.4072 607.4072@1.4588995 + 652.312@1.4573449 1.4573449 (653.3193, 972.91)(654.3303, 601.79) 1 652.312 652.312@1.4573449 + 872.0777@1.4588995 1.4588995 (873.0853, 2136.955)(874.1009, 963.615)(875.0882, 2288.925) 2 872.0777 872.0777@1.4588995 + 797.5514@1.4593433 1.4593433 (798.5586, 5232.55)(799.5644, 2595.99)(800.5733, 996.25) 1 797.5514 797.5514@1.4593433 + 464.3244@1.4778657 1.4778657 (465.33118, 3902.4336)(466.3375, 1538.14) 3 464.3244 464.3244@1.4778657 + 571.2982@1.4695425 1.4695425 (572.3063, 1573.625)(573.3086, 956.28503) 2 571.2982 571.2982@1.4695425 + 425.3128@1.4621214 1.4621214 (426.32455, 13894.953)(427.32355, 4014.5098)(428.32285, 2047.5767) 5 425.3128 425.3128@1.4621214 + 334.228@1.4613416 1.4613416 (335.2356, 6572.1)(336.2356, 2486.38)(317.2216, 1096.27) 1 334.228 334.228@1.4613416 + 909.4831@1.4613416 1.4613416 (910.4903, 2508.04)(911.4928, 1832.09)(912.5004, 3391.76)(913.5056, 1795.23)(914.5079, 1160.94) 1 909.4831 909.4831@1.4613416 + 370.2502@1.4623853 1.4623853 (371.25803, 14737.673)(372.26184, 5390.485)(353.24686, 23965.414)(354.25012, 9512.095)(355.2524, 2655.74) 3 370.2502 370.2502@1.4623853 + 850.505@1.4623408 1.4623408 (851.5123, 2558.83)(852.5175, 1893.65)(853.5337, 1202.23) 1 850.505 850.505@1.4623408 + 406.2716@1.4686698 1.4686698 (813.55145, 33696.438)(814.55475, 29831.615)(815.5633, 25484.451)(816.5679, 8238.9)(830.5782, 35120.992)(831.5813, 18461.547)(832.58484, 8636.755)(833.58875, 1714.2051)(835.53357, 29219.23)(836.53644, 18960.107)(837.5478, 28699.943)(838.55115, 25800.914)(839.5629, 31905.2)(407.27908, 11144.496)(408.28394, 4669.4)(409.27594, 2129.02)(389.2684, 31101.32)(390.27283, 9428.305)(424.3051, 47332.566)(425.3085, 14342.023)(429.26123, 7414.141)(430.26495, 2998.816) 10 406.2716 406.2716@1.4686698 + 974.6475@1.4633399 1.4633399 (975.6548, 1509.45)(976.6584, 943.54) 1 974.6475 974.6475@1.4633399 + 794.5314@1.4633399 1.4633399 (795.5387, 2336.7)(796.5435, 1321.53) 1 794.5314 794.5314@1.4633399 + 839.5611@1.4633399 1.4633399 (840.5684, 23756.4)(841.5727, 7541.32)(842.5826, 2313.45)(843.5937, 356.77) 1 839.5611 839.5611@1.4633399 + 390.2759@1.4643391 1.4643391 (391.2832, 18368.95)(392.2871, 5910.83) 1 390.2759 390.2759@1.4643391 + 1269.7458@1.4643391 1.4643391 (1270.7532, 938.66)(1271.7583, 1259.44)(1272.766, 1779.37)(1273.7732, 1587.51)(1274.779, 1133.27) 1 1269.7458 1269.7458@1.4643391 + 187.1208@1.4675869 1.4675869 (188.12788, 11166.589)(189.12524, 2369.6445)(190.12314, 1051.28)(170.1171, 3126.2273)(210.11237, 2306.2068) 11 187.1208 187.1208@1.4675869 + 816.5725@1.4663376 1.4663376 (817.5798, 17713.91)(818.5848, 8414.44)(819.5882, 2669.86)(820.5934, 462.68) 1 816.5725 816.5725@1.4663376 + 527.3391@1.4663937 1.4663937 (528.3469, 2197.74)(529.3423, 1177.005) 2 527.3391 527.3391@1.4663937 + (6S)-dehydrovomifoliol 1.4714152 C02533 (6S)-dehydrovomifoliol [ C13 H18 O3, mfg=51.31, db=51.28, overall=51.29, KEGG ID=C02533, METLIN ID=53371 ] (445.25787, 861.78)(223.13367, 14382.522)(224.1296, 4156.92)(240.1582, 2960.19) 16 222.1262 (6S)-dehydrovomifoliol + 105.0579@1.4731178 1.4731178 (106.065125, 14061.599)(107.06878, 1068.2933) 6 105.0579 105.0579@1.4731178 + 844.5283@1.4673927 1.4673927 (845.5353, 2920.645)(846.53815, 1689.13)(847.5467, 1406.54) 2 844.5283 844.5283@1.4673927 + 526.3148@1.4713333 1.4713333 (527.3221, 4347.84) 1 526.3148 526.3148@1.4713333 + 996.5709@1.4733316 1.4733316 (997.5782, 1545.91)(998.5832, 995.26) 1 996.5709 996.5709@1.4733316 + 1143.7972@1.4743308 1.4743308 (1144.8046, 1921.33)(1145.8066, 1609.29) 1 1143.7972 1143.7972@1.4743308 + 311.2304@1.4830917 1.4830917 (312.2377, 7694.7866)(313.24188, 1608.1001)(314.23886, 1015.14)(334.21887, 1160.995) 10 311.2304 311.2304@1.4830917 + 231.1473@1.4817027 1.4817027 (463.3063, 723.74)(232.15471, 6593.746)(233.15472, 1706.4023)(234.1457, 914.64)(214.14319, 1918.265)(249.1849, 1311.32) 12 231.1473 231.1473@1.4817027 + 592.3078@1.4853215 1.4853215 (593.3151, 4181.15)(594.3186, 1282.24) 1 592.3078 592.3078@1.4853215 + 372.2655@1.48732 1.48732 (373.273, 19333.43)(374.2768, 4226.5)(355.2616, 6826.76)(356.2639, 2493.1) 1 372.2655 372.2655@1.48732 + 778.5382@1.4903173 1.4903173 (779.5455, 1589.17) 1 778.5382 778.5382@1.4903173 + 721.543@1.4843696 1.4843696 (722.55054, 1760.1766)(723.5506, 1015.8901) 3 721.543 721.543@1.4843696 + 824.5429@1.5073029 1.5073029 (825.5502, 1840.57) 1 824.5429 824.5429@1.5073029 + 726.3957@1.5093011 1.5093011 (727.403, 2213.13)(728.4086, 1262.2) 1 726.3957 726.3957@1.5093011 + 729.4276@1.4888742 1.4888742 (730.4303, 1623.405)(731.4391, 652.15)(732.4517, 891.47) 2 729.4276 729.4276@1.4888742 + 394.3218@1.5200709 1.5200709 (395.32993, 3641.9192)(396.33252, 1283.2291)(397.33786, 735.855)(377.3163, 899.53)(417.30765, 898.58496) 12 394.3218 394.3218@1.5200709 + C15 H15 O3 1.520506 [ C15 H15 O3, mfg=71.43, overall=71.43 ] (244.10875, 6566.3926)(245.11272, 1634.6907)(246.1126, 932.86)(266.0885, 1697.93) 16 243.1017 C15 H15 O3 + 315.1686@1.5440462 1.5440462 (316.1757, 7422.078)(317.18146, 1861.7379)(318.1748, 1285.51)(338.1562, 1236.88) 5 315.1686 315.1686@1.5440462 + 256.1678@1.5447165 1.5447165 (257.17514, 6125.6304) 3 256.1678 256.1678@1.5447165 + 5-Hydroxyindoleacetic acid 1.5452938 C05635 5-Hydroxyindoleacetic acid [ C10 H9 N O3, mfg=59.01, db=58.99, overall=59.00, CAS ID=54-16-0, KEGG ID=C05635, HMP ID=HMDB00763, METLIN ID=2975 ] 54-16-0 (192.06615, 6103.1772)(193.06699, 1460.0645)(174.05495, 1956.515)(209.0932, 1637.23)(214.0476, 2056.534) 8 191.0584 5-Hydroxyindoleacetic acid HMDB00763 + 444.2262@1.6139739 1.6139739 (445.23184, 2106.2148)(446.2397, 760.13) 2 444.2262 444.2262@1.6139739 + 657.2977@1.5452698 1.5452698 (658.305, 2051.88)(659.3083, 1050.12) 1 657.2977 657.2977@1.5452698 + 392.1377@1.5542619 1.5542619 (393.1449, 2163.37) 1 392.1377 392.1377@1.5542619 + 659.314@1.5688126 1.5688126 (660.32275, 2803.225)(661.32324, 982.145) 2 659.314 659.314@1.5688126 + C14 H19 N5 1.5638758 [ C14 H19 N5, mfg=86.44, overall=86.44 ] (258.1706, 9651.75)(259.17355, 2025.3115)(260.1755, 772.61)(240.1602, 6169.44)(241.1681, 1197.62)(275.1938, 777.25)(280.1525, 4250.7456)(281.15152, 2209.7366) 24 257.1634 C14 H19 N5 + 372.2663@1.5709423 1.5709423 (373.27295, 4709.9)(374.27637, 1254.3234)(355.26343, 1600.855) 3 372.2663 372.2663@1.5709423 + 545.4396@1.5512831 1.5512831 (546.44867, 1430.4299)(547.4503, 792.375) 7 545.4396 545.4396@1.5512831 + 729.4272@1.5642531 1.5642531 (730.4344, 1366.11)(731.4425, 781.29)(732.4478, 604.39) 1 729.4272 729.4272@1.5642531 + 591.3268@1.5672504 1.5672504 (592.3341, 6984.41)(593.3341, 3206.49)(614.3162, 2365.86) 1 591.3268 591.3268@1.5672504 + C9 H25 N4 O S2 1.5794243 [ C9 H25 N4 O S2, mfg=57.55, overall=57.55 ] (270.15518, 5039.3516)(271.1546, 1143.3433)(272.1583, 1004.74)(292.1363, 850.32) 16 269.1482 C9 H25 N4 O S2 + 589.3106@1.5692487 1.5692487 (590.3179, 4690.36)(591.3228, 1615.5) 1 589.3106 589.3106@1.5692487 + 466.003@1.5778847 1.5778847 (467.01044, 1285.635) 2 466.003 466.003@1.5778847 + C5 H5 N5 O3 1.5951959 [ C5 H5 N5 O3, mfg=84.70, overall=84.70 ] (367.08554, 10033.313)(368.08826, 1303.6226)(389.06702, 1247.8049)(184.0466, 26397.623)(185.04509, 3776.254)(201.0732, 1373.24)(206.02873, 4647.7397)(207.0318, 741.06) 7 183.0394 C5 H5 N5 O3 + 404.2558@1.5812379 1.5812379 (405.2631, 4152.58)(406.2688, 1801.57) 1 404.2558 404.2558@1.5812379 + 690.0449@1.5808815 1.5808815 (691.05225, 1901.345)(692.05383, 860.88) 2 690.0449 690.0449@1.5808815 + 411.248@1.6166368 1.6166368 (412.25504, 3372.0127)(413.26456, 1568.2711) 21 411.248 411.248@1.6166368 + 324.082@1.6169275 1.6169275 (325.08945, 3791.6133)(326.1013, 1474.78) 3 324.082 324.082@1.6169275 + 303.005@1.5986096 1.5986096 (304.01224, 1728.5433)(325.993, 1150.25) 3 303.005 303.005@1.5986096 + 245.0291@1.6311921 1.6311921 (246.0364, 1741.74) 1 245.0291 245.0291@1.6311921 + Nonoxynol-9 1.6426911 Nonoxynol-9 [ C33 H60 O10, mfg=47.62, db=98.36, overall=72.99, CAS ID=, METLIN ID=43278 ] (634.45245, 9344.859)(635.45605, 3584.4912)(636.4594, 989.0025) 9 633.4449 Nonoxynol-9 + 155.0947@1.6547843 1.6547843 (328.2251, 1626.09)(156.10197, 17868.88)(157.1019, 2190.286)(158.0903, 1487.46)(138.0912, 3076.19) 11 155.0947 155.0947@1.6547843 + 376.1442@1.6451864 1.6451864 (377.1521, 2018.34)(378.154, 1111.63) 2 376.1442 376.1442@1.6451864 + Biliverdin IX 1.654554 C00500 Biliverdin IX [ C33 H34 N4 O6, mfg=77.91, db=77.89, overall=77.90, CAS ID=114-25-0, KEGG ID=C00500, HMP ID=HMDB02309, METLIN ID=6608 ] 114-25-0 (583.25476, 6934.82)(584.2588, 2798.3945)(585.26544, 1374.3033) 9 582.2466 Biliverdin IX HMDB02309 + 637.3263@1.6551696 1.6551696 (638.3336, 1501.68)(639.3368, 945.7) 1 637.3263 637.3263@1.6551696 + 658.3445@1.6637086 1.6637086 (659.35114, 2715.9531)(660.3443, 1130.6783) 7 658.3445 658.3445@1.6637086 + 169.0743@1.6797682 1.6797682 (170.0813, 5601.16)(171.0806, 1338.0449) 2 169.0743 169.0743@1.6797682 + 732.2618@1.6861402 1.6861402 (733.2691, 1062.58)(734.2721, 837.41) 1 732.2618 732.2618@1.6861402 + 372.2655@1.6907414 1.6907414 (373.2727, 7934.453)(374.27667, 3022.1182)(375.2768, 1287.81)(355.26263, 4939.008)(395.2593, 895.79) 7 372.2655 372.2655@1.6907414 + 549.2155@1.7020408 1.7020408 (550.22235, 2710.0325)(551.226, 1252.775)(552.2249, 558.11) 8 549.2155 549.2155@1.7020408 + Phe Gly Phe Gly 1.6964256 Phe Gly Phe Gly [ C22 H26 N4 O5, mfg=45.72, db=58.09, overall=51.91, CAS ID=59005-83-3, METLIN ID=65366 ] 59005-83-3 (444.22324, 2350.3699)(445.22845, 1065.218) 8 443.2166 Phe Gly Phe Gly + 816.5748@1.6927047 1.6927047 (817.5823, 14319.325)(818.58575, 7646.57)(819.58997, 2439.275)(820.5912, 316.04)(839.5639, 49173.508)(840.56744, 26303.273)(841.5704, 8198.824)(842.57263, 1869.02) 2 816.5748 816.5748@1.6927047 + 911.4956@1.6932043 1.6932043 (912.504, 2237.435)(913.50854, 1670.795)(914.5094, 827.66003) 2 911.4956 911.4956@1.6932043 + 836.5395@1.6921343 1.6921343 (837.5468, 2202.95)(838.5525, 1227.29) 1 836.5395 836.5395@1.6921343 + 430.2692@1.6972638 1.6972638 (431.2766, 4856.28)(432.28238, 2638.2517)(433.2859, 1248.5634) 12 430.2692 430.2692@1.6972638 + 938.5895@1.6996982 1.6996982 (939.5968, 2336.335)(940.6013, 1313.14) 2 938.5895 938.5895@1.6996982 + 591.3263@1.7066921 1.7066921 (592.334, 12636.35)(593.3363, 4808.62)(594.3385, 1446.115) 2 591.3263 591.3263@1.7066921 + 381.2885@1.7041227 1.7041227 (382.2958, 1280.76) 1 381.2885 381.2885@1.7041227 + 425.3136@1.7091897 1.7091897 (426.32068, 8461.555)(427.32315, 2894.585)(428.32788, 1353.565) 2 425.3136 425.3136@1.7091897 + 747.2785@1.7077293 1.7077293 (748.2866, 1886.8726)(749.28845, 1152.3875) 4 747.2785 747.2785@1.7077293 + 652.3567@1.7121869 1.7121869 (653.3647, 2428.6802)(654.3629, 953.04)(675.3462, 7119.65)(676.35, 2849.35) 2 652.3567 652.3567@1.7121869 + 613.3081@1.6940721 1.6940721 (614.31586, 2809.21)(615.3211, 1446.19) 3 613.3081 613.3081@1.6940721 + 449.0899@1.7167549 1.7167549 (450.09747, 2889.4976)(451.10034, 1172.675)(472.0762, 803.88) 4 449.0899 449.0899@1.7167549 + 544.2364@1.7271729 1.7271729 (545.2437, 2820.83)(546.2471, 1226.0701)(547.2498, 922.11) 2 544.2364 544.2364@1.7271729 + 668.4439@1.7335691 1.7335691 (669.4502, 1995.63)(670.4547, 1345.705)(671.4581, 582.92) 2 668.4439 668.4439@1.7335691 + C11 H21 N8 O3 1.7445009 [ C11 H21 N8 O3, mfg=72.92, overall=72.92 ] (314.1815, 5820.6855)(315.1839, 1296.3378)(316.1853, 1030.582)(336.1628, 883.88) 23 313.1737 C11 H21 N8 O3 + 324.0824@1.7324592 1.7324592 (325.08963, 3540.3188)(326.09625, 1091.7175)(327.0933, 838.48) 7 324.0824 324.0824@1.7324592 + 312.168@1.7525657 1.7525657 (313.18054, 4781.916)(335.1618, 5626.1455)(336.1667, 1321.025)(337.1545, 1441.41) 5 312.168 312.168@1.7525657 + 127.0997@1.7624458 1.7624458 (128.10693, 14090.341)(129.1081, 1102.285)(110.0968, 2154.11) 6 127.0997 127.0997@1.7624458 + 4,6-Dihydroxyquinoline 1.802759 C05639 4,6-Dihydroxyquinoline [ C9 H7 N O2, mfg=75.54, db=75.52, overall=75.53, CAS ID=3517-61-1, KEGG ID=C05639, HMP ID=HMDB04077, METLIN ID=58204 ] 3517-61-1 (162.05539, 11078.411)(163.05888, 1865.4954) 12 161.0481 4,6-Dihydroxyquinoline HMDB04077 + 920.5649@1.860947 1.860947 (921.5716, 1981.6324)(922.57544, 1160.7592)(923.5763, 1098.96)(943.5516, 810.35333) 12 920.5649 920.5649@1.860947 + 613.3097@1.8459785 1.8459785 (614.317, 3758.44)(615.3184, 1692.09) 1 613.3097 613.3097@1.8459785 + 654.3728@1.8519722 1.8519722 (655.3796, 1855.44)(656.3982, 929.93)(677.3621, 11152.66)(678.3662, 4731.4) 1 654.3728 654.3728@1.8519722 + 446.2446@1.8549689 1.8549689 (447.2519, 1984.84)(448.2518, 932.3) 1 446.2446 446.2446@1.8549689 + 1145.8115@1.872533 1.872533 (1146.8185, 3205.23)(1147.8234, 2175.5)(1148.8257, 1167.365)(1168.801, 1915.44)(1169.8042, 1379.095)(1170.8052, 790.08) 2 1145.8115 1145.8115@1.872533 + 505.3408@1.8729497 1.8729497 (506.3481, 2530.08)(507.3495, 1213.35) 1 505.3408 505.3408@1.8729497 + 637.3322@1.8779444 1.8779444 (638.3394, 1506.27)(639.3455, 827.58) 1 637.3322 637.3322@1.8779444 + 669.8125@1.8789432 1.8789432 (670.8198, 1994.02)(671.821, 1239.99) 1 669.8125 669.8125@1.8789432 + 670.3168@1.8789432 1.8789432 (671.3241, 1172.15) 1 670.3168 670.3168@1.8789432 + 548.3203@1.881869 1.881869 (549.3282, 5261.3926)(550.3367, 3367.165)(551.34424, 1659.325) 4 548.3203 548.3203@1.881869 + 614.2405@1.881789 1.881789 (615.2475, 1760.0449)(616.25214, 1268.25)(617.2613, 1383.9634) 4 614.2405 614.2405@1.881789 + 336.2446@1.8859357 1.8859357 (337.2518, 2719.57)(338.2556, 1047.72) 1 336.2446 336.2446@1.8859357 + 798.564@1.8920133 1.8920133 (799.5718, 3300.335)(800.57587, 1751.005)(801.5786, 857.21) 2 798.564 798.564@1.8920133 + 816.5752@1.8943281 1.8943281 (817.58246, 51839.86)(818.58624, 28639.65)(819.5901, 8414.625)(820.5922, 3504.5466)(821.5934, 813.5)(834.6087, 9990.9795)(835.6131, 5424.06)(836.6155, 4208.415)(837.6161, 988.10004)(839.56415, 37445.26)(840.56744, 19117.03)(841.56964, 5840.49)(842.5755, 3098.96) 6 816.5752 816.5752@1.8943281 + 307.1613@1.8865049 1.8865049 (308.16852, 2187.0898)(309.1674, 773.07) 2 307.1613 307.1613@1.8865049 + 898.4894@1.8910139 1.8910139 (899.4986, 2029.375)(900.50073, 1519.975)(901.5007, 838.13)(916.5238, 1135.45)(917.5287, 816.48)(921.4776, 2207.07)(922.4805, 1917.56) 2 898.4894 898.4894@1.8910139 + 778.3912@1.8969238 1.8969238 (779.3985, 1697.11)(780.4, 946.81) 1 778.3912 778.3912@1.8969238 + 250.0708@1.8979228 1.8979228 (251.0781, 1717.58) 1 250.0708 250.0708@1.8979228 + 842.572@1.8989216 1.8989216 (843.5803, 2289.36)(844.5814, 1336.61)(825.5668, 1385.5)(826.57, 661.55) 1 842.572 842.572@1.8989216 + 466.3397@1.9019183 1.9019183 (467.347, 3576.23)(468.3492, 1489.09)(469.3317, 1218.01) 1 466.3397 466.3397@1.9019183 + 999.613@1.8990057 1.8990057 (1000.621, 9391.67)(1001.6244, 5888.685)(1002.6278, 1941.0549)(1003.6298, 802.05) 2 999.613 999.613@1.8990057 + 525.3592@1.9039161 1.9039161 (526.3703, 925.16)(508.3556, 3533.42)(509.3557, 1525.67) 1 525.3592 525.3592@1.9039161 + 1025.6082@1.9059138 1.9059138 (1026.6154, 899.17)(1027.615, 699.05) 1 1025.6082 1025.6082@1.9059138 + 428.252@1.9059138 1.9059138 (429.2593, 1817.2)(430.2621, 880.27) 1 428.252 428.252@1.9059138 + 838.5569@1.8705621 1.8705621 (839.564, 26880.27)(840.567, 14500.575)(841.5704, 5241.6367)(842.576, 2809.24) 4 838.5569 838.5569@1.8705621 + 836.5407@1.9059983 1.9059983 (837.5483, 2290.005)(838.55365, 1449.31) 2 836.5407 836.5407@1.9059983 + 446.2458@1.9054989 1.9054989 (447.25275, 3084.7002)(448.25543, 1062.42)(449.2556, 780.99) 2 446.2458 446.2458@1.9054989 + 317.0063@1.9119073 1.9119073 (318.0136, 1045.13) 1 317.0063 317.0063@1.9119073 + 525.2395@1.9129063 1.9129063 (526.2465, 1101.02)(508.2366, 1072.12) 1 525.2395 525.2395@1.9129063 + 659.3144@1.9139051 1.9139051 (660.3216, 1479.53)(661.3228, 855.42) 1 659.3144 659.3144@1.9139051 + 688.3565@1.9139903 1.9139903 (689.3626, 1930.855)(690.3646, 631.39) 2 688.3565 688.3565@1.9139903 + 567.3715@1.9218963 1.9218963 (568.3788, 3793.6) 1 567.3715 567.3715@1.9218963 + 201.1152@1.9250486 1.9250486 (425.2179, 906.45)(202.12262, 16769.148)(203.12485, 3980.9849) 5 201.1152 201.1152@1.9250486 + 708.3991@1.9224818 1.9224818 (709.40686, 1932.0549)(710.4094, 1138.48) 2 708.3991 708.3991@1.9224818 + 544.2361@1.9152601 1.9152601 (545.2437, 3498.066)(546.2458, 1592.32)(547.2505, 824.505) 5 544.2361 544.2361@1.9152601 + 748.391@1.921982 1.921982 (749.3983, 3815.6099)(750.4033, 1633.335)(751.4089, 660.03) 2 748.391 748.391@1.921982 + 613.3081@1.920158 1.920158 (614.31537, 3653.9636)(615.3183, 1473.3033) 3 613.3081 613.3081@1.920158 + 100.1096@1.9391946 1.9391946 (101.11667, 1447.09) 3 100.1096 100.1096@1.9391946 + 236.1272@1.9508641 1.9508641 (237.135, 2603.54)(259.116, 5710.58)(260.1235, 1609.72) 1 236.1272 236.1272@1.9508641 + 142.0754@1.9828278 1.9828278 (143.0827, 7484.58) 1 142.0754 142.0754@1.9828278 + 82.0417@1.9840462 1.9840462 (182.11765, 1995.015)(83.04935, 1714.175) 2 82.0417 82.0417@1.9840462 + 298.0728@2.00494 2.00494 (299.08047, 4120.2974)(300.0848, 935.33777)(301.0823, 587.13)(321.06125, 2207.092) 12 298.0728 298.0728@2.00494 + 216.0608@1.9938152 1.9938152 (217.0681, 3670.69) 1 216.0608 216.0608@1.9938152 + 211.1068@1.9958129 1.9958129 (212.114, 5525.56)(213.1179, 1409.01) 1 211.1068 211.1068@1.9958129 + 315.0804@1.9958129 1.9958129 (316.0877, 2271.29) 1 315.0804 315.0804@1.9958129 + 439.1685@1.9975212 1.9975212 (440.17545, 2005.785) 2 439.1685 439.1685@1.9975212 + 418.1259@1.9972076 1.9972076 (419.13354, 2266.845) 2 418.1259 418.1259@1.9972076 + 320.0348@1.996345 1.996345 (321.0445, 2608.935)(322.0432, 908.63) 2 320.0348 320.0348@1.996345 + 462.1326@1.9988095 1.9988095 (463.1362, 717.9)(445.1298, 3223.25)(446.134, 520.17) 1 462.1326 462.1326@1.9988095 + 412.1736@1.9998083 1.9998083 (413.1809, 1642.34) 1 412.1736 412.1736@1.9998083 + 443.1267@1.9998083 1.9998083 (444.134, 1554.72) 1 443.1267 443.1267@1.9998083 + 314.082@1.9998083 1.9998083 (315.0893, 1995.69) 1 314.082 314.082@1.9998083 + 431.1804@1.9998083 1.9998083 (432.1901, 1534.01)(414.1766, 7552.86)(415.1848, 1615.7) 1 431.1804 431.1804@1.9998083 + 522.2729@2.0028048 2.0028048 (523.2802, 1120.96) 1 522.2729 522.2729@2.0028048 + 425.3138@2.0397112 2.0397112 (426.32095, 11073.461)(427.32428, 3154.0842)(428.3288, 1104.2625) 7 425.3138 425.3138@2.0397112 + 816.5747@2.0307724 2.0307724 (817.583, 2516.33)(818.5885, 1537.6)(839.5622, 1707.61)(840.5669, 865.67) 1 816.5747 816.5747@2.0307724 + 591.3264@2.0311947 2.0311947 (592.3343, 7233.745)(593.3369, 2809.28)(594.338, 1058.71)(614.3163, 2385.7651)(615.3195, 1437.41) 2 591.3264 591.3264@2.0311947 + 544.2361@2.0372787 2.0372787 (545.2436, 1868.385)(546.24634, 1165.0) 2 544.2361 544.2361@2.0372787 + 999.6132@2.03277 2.03277 (1000.6204, 1134.62)(1001.6198, 862.7) 1 999.6132 999.6132@2.03277 + 486.8474@2.039281 2.039281 (487.85498, 1729.93) 2 486.8474 486.8474@2.039281 + 623.4401@2.0375984 2.0375984 (624.44824, 1713.2067)(625.4492, 950.91504) 3 623.4401 623.4401@2.0375984 + N6,N6-Dimethyladenosine 2.0563102 C03416 N6,N6-Dimethyladenosine [ C12 H17 N5 O4, mfg=63.32, db=63.26, overall=63.29, CAS ID=2620-62-4, KEGG ID=C03416, METLIN ID=65975 ] 2620-62-4 (296.1363, 3513.6338)(297.1395, 942.2973) 13 295.1282 N6,N6-Dimethyladenosine + 385.2668@2.0855858 2.0855858 (386.27408, 8791.837)(387.27762, 1877.5101) 12 385.2668 385.2668@2.0855858 + 116.0395@2.0946324 2.0946324 (117.0466, 2842.1384) 6 116.0395 116.0395@2.0946324 + 240.0511@2.1156707 2.1156707 (241.0584, 2854.68)(242.0654, 796.04) 1 240.0511 240.0511@2.1156707 + 309.1242@2.1418731 2.1418731 (310.1315, 2847.875)(311.14233, 1102.78) 2 309.1242 309.1242@2.1418731 + 216.0612@2.137346 2.137346 (217.0684, 4152.552)(218.0746, 967.07) 5 216.0612 216.0612@2.137346 + 211.1057@2.1522903 2.1522903 (212.11319, 10037.73)(213.11717, 2029.9651) 4 211.1057 211.1057@2.1522903 + 308.0347@2.1554973 2.1554973 (309.04257, 995.986)(291.0312, 5457.544) 5 308.0347 308.0347@2.1554973 + 419.2157@2.1548035 2.1548035 (420.22275, 2381.0364)(421.23386, 1152.3525) 6 419.2157 419.2157@2.1548035 + 145.0526@2.1536233 2.1536233 (146.0599, 4776.28)(147.058, 881.8) 1 145.0526 145.0526@2.1536233 + C16 H33 N8 O3 2.1621995 [ C16 H33 N8 O3, mfg=81.74, overall=81.74 ] (386.27414, 9958.687)(387.27786, 2322.35)(368.2599, 614.79) 18 385.267 C16 H33 N8 O3 + 383.1042@2.1566389 2.1566389 (384.1106, 2910.145) 4 383.1042 383.1042@2.1566389 + 455.1289@2.1656084 2.1656084 (456.1362, 2661.7) 1 455.1289 455.1289@2.1656084 + 456.1265@2.1607268 2.1607268 (457.13367, 13785.863) 3 456.1265 456.1265@2.1607268 + 355.1524@2.1676059 2.1676059 (356.1597, 2530.14)(357.1519, 1113.98) 1 355.1524 355.1524@2.1676059 + 393.1587@2.170602 2.170602 (394.166, 3078.24) 1 393.1587 393.1587@2.170602 + 378.1489@2.1653912 2.1653912 (379.15634, 7905.272) 6 378.1489 378.1489@2.1653912 + 429.131@2.171601 2.171601 (430.1383, 1409.29) 1 429.131 429.131@2.171601 + 147.0531@2.1770253 2.1770253 (295.11285, 1703.105)(148.06029, 4318.0176)(149.06844, 801.09326)(170.04324, 1435.74) 4 147.0531 147.0531@2.1770253 + 168.0288@2.1875806 2.1875806 (169.036, 1458.54) 1 168.0288 168.0288@2.1875806 + Methyl N-butyrylglycine 2.2263994 Methyl N-butyrylglycine [ C7 H13 N O3, mfg=53.41, db=53.40, overall=53.40, HMP ID=HMDB00685, METLIN ID=5654 ] (160.09651, 10362.157)(161.10371, 1533.7001)(162.09213, 1367.8025)(182.0807, 3295.85)(183.0764, 1346.12) 9 159.0893 Methyl N-butyrylglycine HMDB00685 + 200.1521@2.2669508 2.2669508 (201.15944, 4698.073)(202.16234, 815.8443) 13 200.1521 200.1521@2.2669508 + 205.1133@2.3014317 2.3014317 (206.1205, 6406.01)(207.1287, 955.35) 1 205.1133 205.1133@2.3014317 + 157.0192@2.3257284 2.3257284 (158.02682, 2967.8525)(159.0269, 1012.44) 4 157.0192 157.0192@2.3257284 + 223.0484@2.3853166 2.3853166 (224.0557, 3584.97)(225.0589, 1746.33) 1 223.0484 223.0484@2.3853166 + 180.0455@2.3952334 2.3952334 (181.05286, 7070.165)(182.05426, 790.185) 2 180.0455 180.0455@2.3952334 + 201.1365@2.4134974 2.4134974 (202.14365, 7229.6226)(203.14653, 1175.8529)(184.1316, 1093.075) 10 201.1365 201.1365@2.4134974 + 205.0745@2.4292545 2.4292545 (206.0817, 5741.98)(207.0847, 708.46) 1 205.0745 205.0745@2.4292545 + 191.098@2.4299393 2.4299393 (192.10503, 6278.6367)(193.10652, 1016.7134)(174.0952, 1736.3) 3 191.098 191.098@2.4299393 + 267.1127@2.430253 2.430253 (268.1199, 7252.15)(269.1314, 771.65) 1 267.1127 267.1127@2.430253 + 199.0846@2.435246 2.435246 (200.0919, 7213.79)(201.0901, 1253.88) 1 199.0846 199.0846@2.435246 + 211.1058@2.4901664 2.4901664 (212.1131, 8515.91)(213.1175, 1664.25) 1 211.1058 211.1058@2.4901664 + 122.0406@2.59401 2.59401 (123.0479, 14920.79)(124.0475, 1235.47)(125.0434, 1023.55)(105.037, 3016.72) 1 122.0406 122.0406@2.59401 + 331.1274@2.683144 2.683144 (332.13458, 2011.985)(333.1372, 807.09) 2 331.1274 331.1274@2.683144 + Norharman 2.7481444 Norharman [ C11 H8 N2, mfg=75.12, db=75.12, overall=75.12, CAS ID=7259-44-1, METLIN ID=4172 ] 7259-44-1 (169.0761, 10278.953)(170.08104, 2049.5403)(171.0807, 871.61) 16 168.0689 Norharman + C7 H16 N5 O 2.7811673 [ C7 H16 N5 O, mfg=64.85, overall=64.85 ] (187.14413, 9749.963)(188.14482, 1381.3666)(189.13945, 1073.8134) 13 186.1368 C7 H16 N5 O + 98.0369@2.8194513 2.8194513 (99.04443, 7207.9116)(100.0444, 758.2725)(81.03384, 1916.2899) 8 98.0369 98.0369@2.8194513 + 109.024@2.8617678 2.8617678 (110.03247, 1550.335) 4 109.024 109.024@2.8617678 + 243.1981@2.9169977 2.9169977 (244.2056, 9168.413)(245.20888, 1886.6931) 14 243.1981 243.1981@2.9169977 + 180.0826@2.9182165 2.9182165 (181.0899, 34342.98)(182.0914, 8221.02) 2 180.0826 180.0826@2.9182165 + 114.0316@2.920005 2.920005 (115.0392, 3054.125)(116.0348, 766.14)(97.0285, 40403.27)(98.0301, 2605.625)(99.0254, 547.29) 4 114.0316 114.0316@2.920005 + 355.934@2.9037614 2.9037614 (356.94086, 2334.76)(357.9434, 818.32)(358.9383, 1072.55)(373.96783, 1901.895) 2 355.934 355.934@2.9037614 + Methiuron 2.9720387 C19086 Methiuron [ C10 H14 N2 S, db=79.88, overall=39.94, CAS ID=21540-35-2, KEGG ID=C19086, METLIN ID=72828 ] 21540-35-2 (406.20667, 6141.626)(407.21063, 1581.677)(408.21774, 854.535) 13 405.1995 Methiuron + 549.6209@2.9727712 2.9727712 (550.6282, 134827.73)(551.63153, 58217.715)(552.63477, 11968.285)(553.63824, 1234.765) 2 549.6209 549.6209@2.9727712 + 565.6156@2.98336 2.98336 (566.6246, 581.61)(548.6121, 1983.71)(549.6144, 1255.92) 1 565.6156 565.6156@2.98336 + 521.5895@2.976266 2.976266 (522.59686, 21967.66)(523.6001, 9043.391)(524.60315, 1823.605) 2 521.5895 521.5895@2.976266 + 493.5579@2.985752 2.985752 (494.5654, 3134.96)(495.56787, 1283.645) 2 493.5579 493.5579@2.985752 + 535.6048@2.9863548 2.9863548 (536.6121, 1801.56)(537.6141, 645.0) 1 535.6048 535.6048@2.9863548 + 500.0457@2.9933422 2.9933422 (501.053, 1993.53) 1 500.0457 500.0457@2.9933422 + 447.0429@2.9933422 2.9933422 (448.0502, 2645.53) 1 447.0429 447.0429@2.9933422 + 706.067@2.9943402 2.9943402 (707.0743, 2078.94) 1 706.067 706.067@2.9943402 + 708.0653@2.9963367 2.9963367 (709.0725, 7065.98)(710.0705, 846.33)(711.0698, 14478.14)(712.0694, 1336.19)(713.0664, 19980.36)(714.0664, 1837.75)(715.0637, 15159.58)(716.0617, 1163.28)(717.0607, 9220.43)(718.0579, 795.27) 1 708.0653 708.0653@2.9963367 + 1195.0789@3.0102153 3.0102153 (1196.0842, 2497.7148)(1197.0857, 602.02)(1198.0837, 2411.3) 2 1195.0789 1195.0789@3.0102153 + 149.12@2.9957356 2.9957356 (150.12735, 19078.805)(151.13055, 2951.435) 2 149.12 149.12@2.9957356 + 390.045@2.9993312 2.9993312 (391.0523, 2946.58) 1 390.045 390.045@2.9993312 + 720.0476@3.0023258 3.0023258 (721.0549, 2050.98) 1 720.0476 720.0476@3.0023258 + 479.2703@3.0222895 3.0222895 (480.2776, 7355.08)(481.2803, 1817.63) 1 479.2703 479.2703@3.0222895 + 514.3068@3.0222895 3.0222895 (515.3141, 27656.42)(516.3173, 8625.79)(517.3156, 2275.32) 1 514.3068 514.3068@3.0222895 + 528.2885@3.0232875 3.0232875 (529.2958, 3044.15)(530.3006, 1104.09) 1 528.2885 528.2885@3.0232875 + 560.3131@3.0242856 3.0242856 (561.3204, 6147.18)(562.3224, 2498.48) 1 560.3131 560.3131@3.0242856 + 477.2536@3.0292766 3.0292766 (478.2609, 1782.24)(479.2639, 766.15) 1 477.2536 477.2536@3.0292766 + 723.3077@3.0188532 3.0188532 (724.3148, 2990.625)(725.31683, 1257.0701)(726.3171, 739.93) 2 723.3077 723.3077@3.0188532 + 241.0973@2.983371 2.983371 (242.10458, 38614.766)(243.10904, 3486.812)(244.10844, 1227.11)(224.0939, 22711.23)(225.0992, 2171.655) 5 241.0973 241.0973@2.983371 + 384.1422@3.0100415 3.0100415 (385.14932, 24510.973) 5 384.1422 384.1422@3.0100415 + 385.1392@3.0901432 3.0901432 (386.14645, 46622.984)(387.15097, 7093.891)(388.152, 3673.4265) 6 385.1392 385.1392@3.0901432 + 652.1886@3.079184 3.079184 (653.1959, 2517.58)(654.1973, 1046.99)(655.2063, 650.67) 1 652.1886 652.1886@3.079184 + 306.058@3.0874577 3.0874577 (307.0651, 5655.23)(308.06927, 976.59) 3 306.058 306.058@3.0874577 + 382.1085@3.0885828 3.0885828 (383.1162, 27994.914)(384.12024, 3728.33)(385.1204, 1903.47) 2 382.1085 382.1085@3.0885828 + 409.0435@3.0931578 3.0931578 (410.0507, 6161.07)(411.0524, 1646.88) 1 409.0435 409.0435@3.0931578 + 166.0679@3.0959198 3.0959198 (167.0757, 4599.623)(149.0644, 1497.48) 3 166.0679 166.0679@3.0959198 + 202.0456@3.1001444 3.1001444 (203.0529, 116593.48)(204.0561, 8631.12) 1 202.0456 202.0456@3.1001444 + 758.2089@3.0052025 3.0052025 (759.21594, 11801.49)(760.219, 3877.4524)(761.2217, 1325.115) 4 758.2089 758.2089@3.0052025 + 757.2115@3.0374107 3.0374107 (758.2186, 6532.495) 2 757.2115 757.2115@3.0374107 + 407.1086@3.0246685 3.0246685 (408.11548, 2912.5566)(390.1053, 13298.24) 3 407.1086 407.1086@3.0246685 + 823.761@3.1300876 3.1300876 (824.7683, 949.69) 1 823.761 823.761@3.1300876 + 458.1353@3.1350038 3.1350038 (459.14185, 1914.7649) 2 458.1353 458.1353@3.1350038 + N-Formiminoglycine 3.1539679 C02718 N-Formiminoglycine [ C3 H6 N2 O2, mfg=82.19, db=82.18, overall=82.19, CAS ID=2140-03-6, KEGG ID=C02718, METLIN ID=63399 ] 3/6/2140 (205.0973, 2870.22)(103.05016, 6533.581)(104.0528, 526.62) 13 102.0428 N-Formiminoglycine + 444.1163@3.1540418 3.1540418 (445.1236, 3461.26) 1 444.1163 444.1163@3.1540418 + 216.0748@3.1560378 3.1560378 (217.0821, 2626.43) 1 216.0748 216.0748@3.1560378 + 416.0912@3.1560378 3.1560378 (417.0985, 7571.7)(418.1023, 817.81)(419.1029, 560.38) 1 416.0912 416.0912@3.1560378 + 405.1998@3.1640227 3.1640227 (406.2071, 2518.92)(407.2069, 525.98) 1 405.1998 405.1998@3.1640227 + 480.1266@3.1909702 3.1909702 (481.1339, 4903.1) 1 480.1266 480.1266@3.1909702 + 682.1188@3.1919682 3.1919682 (683.1261, 6416.2)(684.1283, 1155.22)(685.1289, 886.07) 1 682.1188 682.1188@3.1919682 + 299.1209@3.1949623 3.1949623 (300.1282, 2693.28)(301.1432, 962.73) 1 299.1209 299.1209@3.1949623 + 429.1464@3.2090855 3.2090855 (430.15417, 2039.51)(431.1587, 1081.92) 2 429.1464 429.1464@3.2090855 + 304.0775@3.1999528 3.1999528 (305.0848, 4375.79)(306.0868, 998.59) 1 304.0775 304.0775@3.1999528 + 487.116@3.205941 3.205941 (488.1233, 1813.36) 1 487.116 487.116@3.205941 + 228.0906@3.2091649 3.2091649 (229.0987, 7303.2534)(230.10216, 1646.8483)(231.09595, 718.16003) 6 228.0906 228.0906@3.2091649 + 187.0634@3.2126389 3.2126389 (188.0709, 7009.6045)(189.07352, 1070.0475)(205.09712, 5017.3916)(206.09973, 1084.5667) 9 187.0634 187.0634@3.2126389 + 158.0844@3.210931 3.210931 (159.0917, 9823.72) 1 158.0844 158.0844@3.210931 + 530.3025@3.225021 3.225021 (531.3097, 7212.3096)(532.3131, 2287.13)(533.3125, 1147.84) 2 530.3025 530.3025@3.225021 + 207.0897@3.2152634 3.2152634 (208.09755, 12430.997)(209.10193, 1872.2568) 3 207.0897 207.0897@3.2152634 + 291.159@3.2173264 3.2173264 (292.16626, 3152.8066)(293.17044, 1411.2001) 3 291.159 291.159@3.2173264 + 135.1046@3.2244604 3.2244604 (136.1119, 15567.02)(137.11433, 1928.5366)(153.1366, 986.56) 3 135.1046 135.1046@3.2244604 + 535.258@3.240872 3.240872 (536.2654, 3873.52)(558.2455, 887.08) 1 535.258 535.258@3.240872 + 536.2599@3.25684 3.25684 (537.2671, 1516.39) 1 536.2599 536.2599@3.25684 + 407.1182@3.2837858 3.2837858 (408.1255, 2401.0) 1 407.1182 407.1182@3.2837858 + 499.2967@3.3231692 3.3231692 (500.30505, 2951.31)(501.30804, 1178.2949)(517.33044, 6175.45)(518.3348, 2344.9502)(519.3358, 731.85)(522.28577, 6023.7)(523.29004, 2083.285)(524.294, 1007.475) 2 499.2967 499.2967@3.3231692 + 481.2859@3.3396719 3.3396719 (482.2932, 3981.64)(483.296, 1188.26)(464.2827, 8147.01)(465.2857, 2697.61) 1 481.2859 481.2859@3.3396719 + 280.0968@3.3639157 3.3639157 (583.1832, 2494.26)(584.1945, 777.82)(281.10382, 3009.175)(282.109, 1124.0767)(283.1082, 754.89)(303.08606, 9375.613)(304.09064, 1450.785) 4 280.0968 280.0968@3.3639157 + 686.1509@3.3616266 3.3616266 (687.1581, 1967.97)(688.1697, 756.81)(689.175, 636.62) 1 686.1509 686.1509@3.3616266 + 277.0012@3.3874633 3.3874633 (278.00888, 2266.1099)(279.01035, 696.005) 3 277.0012 277.0012@3.3874633 + 496.0843@3.3676143 3.3676143 (497.0916, 6957.93)(498.1046, 2117.22) 1 496.0843 496.0843@3.3676143 + 71.0371@3.3707597 3.3707597 (72.044365, 10441.63) 7 71.0371 71.0371@3.3707597 + 182.0793@3.3696098 3.3696098 (183.0869, 8339.54)(205.0685, 44751.86) 1 182.0793 182.0793@3.3696098 + 260.0918@3.386591 3.386591 (261.09946, 7999.41)(262.10248, 1799.48)(283.08246, 1076.4349) 3 260.0918 260.0918@3.386591 + 319.09@3.4444256 3.4444256 (320.10016, 1573.25) 2 319.09 319.09@3.4444256 + 519.2628@3.4044094 3.4044094 (520.27026, 4231.9727)(521.273, 1487.2035)(542.252, 1567.52) 4 519.2628 519.2628@3.4044094 + 479.2706@3.404277 3.404277 (480.27832, 6528.404)(481.28345, 2106.2966)(482.2888, 825.84) 3 479.2706 479.2706@3.404277 + 159.0893@3.4444199 3.4444199 (160.09651, 10244.256)(161.10373, 1292.226)(162.0917, 1210.24)(142.0866, 1207.81) 7 159.0893 159.0893@3.4444199 + 482.144@3.4564266 3.4564266 (483.1513, 1048.07) 1 482.144 482.144@3.4564266 + 203.1151@3.479377 3.479377 (204.1223, 6477.84)(205.1296, 818.51) 1 203.1151 203.1151@3.479377 + 335.1377@3.4933467 3.4933467 (336.145, 820.55) 1 335.1377 335.1377@3.4933467 + 319.1083@3.50436 3.50436 (320.11258, 2783.9065)(321.1164, 962.95)(337.1427, 3509.29)(342.09827, 919.16003) 3 319.1083 319.1083@3.50436 + 247.087@3.5000634 3.5000634 (248.09488, 4390.066)(249.10382, 827.9367)(230.0838, 3210.0735)(270.07736, 1408.07) 5 247.087 247.087@3.5000634 + 463.2753@3.584492 3.584492 (464.28308, 8974.111)(465.28766, 3192.0737)(466.28406, 2172.615)(467.2891, 657.21) 6 463.2753 463.2753@3.584492 + 278.077@3.5388486 3.5388486 (279.08502, 8397.43)(280.08978, 1475.8268)(281.08246, 1617.3574)(301.06754, 2274.8625) 6 278.077 278.077@3.5388486 + 119.0732@3.5303037 3.5303037 (120.08045, 3372.322) 6 119.0732 119.0732@3.5303037 + 511.2637@3.5272725 3.5272725 (512.271, 1284.45) 1 511.2637 511.2637@3.5272725 + 347.0462@3.535255 3.535255 (348.0535, 1298.13) 1 347.0462 347.0462@3.535255 + 292.142@3.5506809 3.5506809 (293.14987, 3025.9802) 3 292.142 292.142@3.5506809 + 71.037@3.5711753 3.5711753 (72.0443, 7208.91) 1 71.037 71.037@3.5711753 + 742.3672@3.5891352 3.5891352 (743.3744, 1288.11) 1 742.3672 742.3672@3.5891352 + 675.3141@3.596491 3.596491 (676.32263, 2064.735)(677.3244, 958.46)(698.3026, 747.99) 2 675.3141 675.3141@3.596491 + 709.328@3.5911307 3.5911307 (710.3353, 1349.16) 1 709.328 709.328@3.5911307 + 364.1379@3.586962 3.586962 (365.14465, 3951.8967)(366.14926, 1112.87) 3 364.1379 364.1379@3.586962 + 653.3313@3.5991127 3.5991127 (654.3385, 3622.07)(655.3417, 1519.84) 1 653.3313 653.3313@3.5991127 + 724.4689@3.6021059 3.6021059 (725.4766, 2811.56)(726.4803, 1310.02)(747.4543, 608.62) 1 724.4689 724.4689@3.6021059 + 1042.5564@3.6160743 3.6160743 (1043.5637, 3125.19)(1044.5687, 2351.43) 1 1042.5564 1042.5564@3.6160743 + 523.2819@3.6310403 3.6310403 (524.2891, 2778.73) 1 523.2819 523.2819@3.6310403 + 742.3693@3.639022 3.639022 (743.3763, 1028.78)(744.3781, 633.39)(765.3589, 875.34) 1 742.3693 742.3693@3.639022 + 663.2104@3.6460063 3.6460063 (664.2172, 1069.55)(686.2006, 595.52) 1 663.2104 663.2104@3.6460063 + 723.3249@3.653988 3.653988 (724.3321, 975.05)(725.3355, 697.2) 1 723.3249 723.3249@3.653988 + 449.2607@3.653988 3.653988 (450.2679, 1384.02) 1 449.2607 449.2607@3.653988 + 502.3069@3.660325 3.660325 (503.31415, 4150.92)(504.31708, 990.395)(505.315, 627.82) 2 502.3069 502.3069@3.660325 + 501.3008@3.6599743 3.6599743 (502.3081, 1689.51) 1 501.3008 501.3008@3.6599743 + 97.0529@3.6825278 3.6825278 (98.06035, 16874.691)(99.05788, 2083.4077)(115.08746, 3088.96) 4 97.0529 97.0529@3.6825278 + 999.5949@3.6909027 3.6909027 (1000.6022, 1319.77) 1 999.5949 999.5949@3.6909027 + 82.042@3.7424471 3.7424471 (83.04963, 2307.8267) 3 82.042 82.042@3.7424471 + 269.0827@3.7274044 3.7274044 (270.09036, 2221.1184) 6 269.0827 269.0827@3.7274044 + 244.0688@3.7397883 3.7397883 (245.0761, 4231.66)(246.0826, 901.29) 1 244.0688 244.0688@3.7397883 + 270.0855@3.7498767 3.7498767 (271.09317, 2915.0667)(272.1063, 856.37)(273.085, 3998.37)(274.0901, 842.48) 3 270.0855 270.0855@3.7498767 + 241.1317@3.7540894 3.7540894 (242.1385, 4770.2617)(243.14272, 1203.5934)(224.1276, 595.25)(264.1223, 2774.0764) 6 241.1317 241.1317@3.7540894 + 430.1936@3.7605865 3.7605865 (431.20117, 3217.5784)(432.2062, 991.61993) 6 430.1936 430.1936@3.7605865 + 379.1634@3.762734 3.762734 (380.1706, 1329.44)(381.1802, 946.15) 1 379.1634 379.1634@3.762734 + 569.3381@3.7707152 3.7707152 (570.3456, 2843.33)(571.3503, 791.13)(592.3265, 467.48)(593.3303, 630.56) 1 569.3381 569.3381@3.7707152 + 315.155@3.8360507 3.8360507 (316.162, 2884.425)(317.1677, 680.59) 2 315.155 315.155@3.8360507 + 60.0617@3.7876747 3.7876747 (61.0689, 2158.6) 1 60.0617 60.0617@3.7876747 + 389.166@3.7866626 3.7866626 (390.1734, 3637.854)(391.17584, 1386.5151)(412.155, 1336.745) 8 389.166 389.166@3.7866626 + 289.1364@3.8126144 3.8126144 (290.1437, 2452.46) 1 289.1364 289.1364@3.8126144 + 495.2651@3.842542 3.842542 (496.2726, 7569.37)(497.2762, 2609.05)(478.2611, 3557.36)(479.2647, 1457.5) 1 495.2651 495.2651@3.842542 + 615.1982@3.842542 3.842542 (616.2055, 1074.2) 1 615.1982 615.1982@3.842542 + 153.0653@3.8540888 3.8540888 (154.0728, 14182.814)(155.0794, 2626.43) 2 153.0653 153.0653@3.8540888 + 249.0649@3.8664834 3.8664834 (250.0723, 1558.8)(272.054, 1459.85) 1 249.0649 249.0649@3.8664834 + 224.0539@3.875043 3.875043 (225.06134, 2160.1099) 2 224.0539 224.0539@3.875043 + 266.1273@3.8649292 3.8649292 (267.13522, 5470.01)(268.13846, 1475.4033)(269.13095, 848.355)(289.1171, 2271.3599)(290.1235, 741.75) 3 266.1273 266.1273@3.8649292 + 449.2598@3.9063847 3.9063847 (450.2671, 1679.22)(451.2712, 767.53) 1 449.2598 449.2598@3.9063847 + 1288.2275@3.9121356 3.9121356 (1289.2354, 2084.78)(1290.2383, 2540.22)(1291.2399, 1562.36)(1311.219, 2003.39) 2 1288.2275 1288.2275@3.9121356 + 635.3377@3.9127312 3.9127312 (636.3433, 1541.505)(637.3672, 1320.42) 2 635.3377 635.3377@3.9127312 + 885.5416@3.9093773 3.9093773 (886.5489, 1273.23)(887.5547, 885.21) 1 885.5416 885.5416@3.9093773 + 1546.3754@3.907636 3.907636 (1547.3829, 5454.25)(1548.3839, 5156.266)(1549.3862, 1899.0299)(1550.3824, 579.08)(1569.3649, 2039.7251)(1570.365, 1888.935)(1571.3665, 853.69) 3 1546.3754 1546.3754@3.907636 + 1288.7292@3.9055035 3.9055035 (1289.737, 2447.98)(1290.7388, 1585.04)(1311.7183, 2985.51)(1312.7195, 2208.37)(1313.7231, 821.01) 2 1288.7292 1288.7292@3.9055035 + 1035.589@3.9113722 3.9113722 (1036.5963, 2749.87) 1 1035.589 1035.589@3.9113722 + 1556.8649@3.9141307 3.9141307 (1557.8718, 2201.65)(1558.8759, 4759.53)(1559.8763, 2825.51)(1560.8751, 646.33)(1579.8536, 726.82) 2 1556.8649 1556.8649@3.9141307 + 573.3472@3.9133673 3.9133673 (574.3544, 5846.93)(575.3574, 1976.15)(576.3513, 1263.94) 1 573.3472 573.3472@3.9133673 + 1052.5651@3.9133673 3.9133673 (1053.5724, 32499.38)(1054.575, 18812.6)(1055.575, 8711.09)(1056.5753, 3539.15)(1057.5723, 1227.45) 1 1052.5651 1052.5651@3.9133673 + 1038.5701@3.9069998 3.9069998 (1039.5768, 1397.935)(1040.5786, 1248.5249) 2 1038.5701 1038.5701@3.9069998 + 698.3485@3.918355 3.918355 (699.3558, 1832.39) 1 698.3485 698.3485@3.918355 + 537.2734@3.9172614 3.9172614 (1075.5533, 8065.5835)(1076.5566, 5523.2397)(1077.5559, 2819.5632)(1078.545, 1130.49)(1097.5347, 1968.8)(1098.5399, 1361.24)(1099.5385, 1082.45)(538.2806, 40454.734)(539.28375, 12302.641)(540.28345, 3971.9502)(560.2625, 8687.48)(561.2654, 2725.21) 3 537.2734 537.2734@3.9172614 + 205.0387@3.9452875 3.9452875 (206.046, 1957.7) 1 205.0387 205.0387@3.9452875 + 388.1725@3.9662344 3.9662344 (389.1798, 1531.27) 1 388.1725 388.1725@3.9662344 + 267.0493@3.9742143 3.9742143 (268.0565, 1400.57) 1 267.0493 267.0493@3.9742143 + 465.2539@3.9971557 3.9971557 (466.2612, 3369.69)(467.2676, 1274.28) 1 465.2539 465.2539@3.9971557 + 501.2751@3.9971557 3.9971557 (502.2826, 3023.89)(503.2856, 1147.78)(519.3088, 6744.9)(520.3165, 2610.63) 1 501.2751 501.2751@3.9971557 + 483.2672@3.9991508 3.9991508 (484.2745, 2271.16)(485.2792, 1078.3) 1 483.2672 483.2672@3.9991508 + 1016.5656@4.0011454 4.0011454 (1017.5729, 2530.23)(1018.5779, 1025.04)(1019.5719, 521.0) 1 1016.5656 1016.5656@4.0011454 + 567.3139@4.0094776 4.0094776 (568.3168, 1482.6951)(569.3149, 698.25) 2 567.3139 567.3139@4.0094776 + C25 H45 N + 4.040262 4.040262 [ C25 H45 N, mfg=95.05, overall=95.05 ] (360.36197, 15325.814)(361.36526, 4578.794)(362.36874, 1219.782) 13 359.3547 C25 H45 N + 4.040262 + 1545.8672@4.0081277 4.0081277 (1546.875, 2130.91)(1568.856, 2152.53)(1569.8606, 1571.98)(1570.8633, 970.9) 1 1545.8672 1545.8672@4.0081277 + 1031.584@4.0119715 4.0119715 (1032.5908, 13171.846)(1033.5925, 5955.72)(1034.5942, 3659.67)(1035.5929, 1109.77) 2 1031.584 1031.584@4.0119715 + 1052.0553@4.0091248 4.0091248 (1053.0643, 1842.59)(1054.0697, 1118.24)(1055.0667, 711.28)(1075.0386, 786.77) 1 1052.0553 1052.0553@4.0091248 + 516.2937@4.023795 4.023795 (517.2981, 8021.545)(518.30115, 2563.84)(534.32153, 10182.45)(535.3285, 5002.36) 2 516.2937 516.2937@4.023795 + 1068.5311@4.0101223 4.0101223 (1069.5383, 548.79)(1070.5385, 706.42) 1 1068.5311 1068.5311@4.0101223 + 1565.3298@4.0181017 4.0181017 (1566.3372, 958.56)(1567.3424, 1144.69)(1568.3492, 898.41) 1 1565.3298 1565.3298@4.0181017 + 1318.6761@4.020097 4.020097 (1319.6835, 1356.48)(1320.6917, 1415.32)(1321.692, 1410.65) 1 1318.6761 1318.6761@4.020097 + 1306.6771@4.023813 4.023813 (1307.686, 1707.38)(1308.6926, 1556.56)(1309.7, 1741.01)(1310.7081, 720.82) 2 1306.6771 1306.6771@4.023813 + 608.1985@4.0266657 4.0266657 (609.2061, 2716.2542)(610.2042, 1258.5281)(611.21796, 1680.1234) 5 608.1985 608.1985@4.0266657 + 1038.5485@4.026305 4.026305 (1039.5554, 3290.9102)(1040.5613, 2332.705)(1041.5651, 1181.63)(1061.5378, 2610.415)(1062.5437, 2365.63) 2 1038.5485 1038.5485@4.026305 + 792.9003@4.025084 4.025084 (1586.8087, 979.42)(1587.8195, 885.6)(1588.8212, 993.63)(1589.828, 322.83)(793.9075, 2266.48)(794.9118, 1299.38) 1 792.9003 792.9003@4.025084 + 477.2552@4.0270786 4.0270786 (478.2625, 5140.14)(479.2651, 1782.91) 1 477.2552 477.2552@4.0270786 + 739.5152@4.0264735 4.0264735 (740.52295, 3514.7344)(741.5258, 1771.274)(742.5372, 1916.6133)(743.5413, 668.89)(744.555, 395.81)(762.5044, 1261.265)(763.50793, 958.70996) 5 739.5152 739.5152@4.0264735 + 1050.0428@4.026306 4.026306 (1051.0498, 2581.17)(1052.0546, 2460.79)(1053.0627, 1507.31)(1073.0315, 1064.14) 2 1050.0428 1050.0428@4.026306 + 793.4046@4.030071 4.030071 (794.4118, 1977.69)(795.4132, 740.08) 1 793.4046 793.4046@4.030071 + 742.5347@4.032066 4.032066 (743.542, 1452.13) 1 742.5347 742.5347@4.032066 + 803.8934@4.076631 4.076631 (804.9051, 1862.9268)(805.91144, 1105.0499) 3 803.8934 803.8934@4.076631 + 535.2576@4.0251617 4.0251617 (1071.5226, 5655.66)(1072.5261, 4279.205)(1073.5354, 6436.05)(1093.5044, 3174.6401)(1094.5074, 2163.145)(1095.5139, 2404.88)(536.26465, 22950.0)(537.268, 8995.113)(558.2467, 1008.35) 4 535.2576 535.2576@4.0251617 + 237.1@4.042756 4.042756 (238.10745, 9690.545)(239.1029, 1648.82) 2 237.1 237.1@4.042756 + 676.1851@4.0338464 4.0338464 (677.19305, 2022.488)(678.1958, 1078.2239) 5 676.1851 676.1851@4.0338464 + 87.0143@4.039375 4.039375 (88.02157, 2421.6965) 3 87.0143 87.0143@4.039375 + 780.2739@4.04603 4.04603 (781.2811, 2145.35)(782.2833, 1046.36)(783.2923, 1120.76)(803.2634, 961.41)(804.2646, 585.49) 1 780.2739 780.2739@4.04603 + 259.0827@4.057001 4.057001 (260.09, 3526.56) 1 259.0827 259.0827@4.057001 + 245.0156@4.0448666 4.0448666 (491.038, 1800.95)(513.019, 1266.16)(246.0232, 11877.585)(247.02591, 1197.365)(248.01735, 1484.45)(268.00476, 6574.5146)(269.0116, 718.77) 2 245.0156 245.0156@4.0448666 + 145.0738@4.0756464 4.0756464 (146.08109, 8102.1562)(147.09093, 1940.6533) 7 145.0738 145.0738@4.0756464 + 491.8603@4.086556 4.086556 (492.868, 1357.9651) 2 491.8603 491.8603@4.086556 + 479.2706@4.043554 4.043554 (480.27817, 3671.024)(481.28207, 1538.206) 5 479.2706 479.2706@4.043554 + 515.2915@4.1126094 4.1126094 (516.29913, 6486.3647)(517.3028, 1939.715)(518.3047, 1145.2799)(498.2889, 4423.1)(533.3254, 6940.768)(534.32935, 2950.1572)(535.3338, 1538.1266)(536.3335, 650.02)(538.28076, 5904.485)(539.2839, 2399.9321)(540.28455, 1336.895) 6 515.2915 515.2915@4.1126094 + 513.2755@4.154228 4.154228 (514.2835, 2465.7727)(515.2852, 1105.39)(496.2703, 1703.55)(497.2772, 686.97)(531.3101, 2236.91)(532.3152, 744.28)(533.3252, 970.77)(536.2647, 1462.34)(537.2686, 774.69) 4 513.2755 513.2755@4.154228 + 177.0458@4.1362786 4.1362786 (178.05353, 3143.9526)(179.0525, 782.53)(180.0483, 989.43)(200.03542, 1439.0449) 4 177.0458 177.0458@4.1362786 + 262.0991@4.1657133 4.1657133 (263.1064, 4116.11) 1 262.0991 262.0991@4.1657133 + 371.2305@4.171634 4.171634 (372.23843, 8797.05)(373.24207, 1998.0027)(374.2432, 776.84753) 11 371.2305 371.2305@4.171634 + 511.2603@4.1957917 4.1957917 (512.26764, 1204.275)(513.2715, 804.63)(529.2938, 2209.335)(530.296, 1003.38)(534.2499, 1301.22)(535.2525, 757.43) 2 511.2603 511.2603@4.1957917 + 486.171@4.22954 4.22954 (487.1783, 448956.3)(488.1809, 95288.23)(489.183, 17778.71)(490.1865, 2699.93) 1 486.171 486.171@4.22954 + C20 H37 N S2 4.2221065 [ C20 H37 N S2, mfg=77.01, overall=77.01 ] (356.24307, 3585.7078)(357.24588, 1027.5479)(358.2513, 737.61) 14 355.2355 C20 H37 N S2 + 512.1677@4.2325315 4.2325315 (513.175, 1774.69) 1 512.1677 512.1677@4.2325315 + 400.1448@4.23294 4.23294 (401.152, 2657.8235)(402.1568, 954.98) 3 400.1448 400.1448@4.23294 + 143.9745@4.256594 4.256594 (144.98174, 53373.004)(145.98479, 2778.9333)(146.98013, 24834.916)(147.98328, 1181.6034) 3 143.9745 143.9745@4.256594 + 395.1633@4.2405267 4.2405267 (396.1705, 3338.7202) 2 395.1633 395.1633@4.2405267 + 396.1712@4.2426333 4.2426333 (397.1785, 4857.5396)(398.181, 1464.9801) 3 396.1712 396.1712@4.2426333 + 446.0846@4.2568183 4.2568183 (447.0925, 2953.915)(448.09515, 824.745) 2 446.0846 446.0846@4.2568183 + 462.0899@4.2771134 4.2771134 (463.09686, 2436.722)(464.10077, 664.95996) 5 462.0899 462.0899@4.2771134 + 436.1556@4.280399 4.280399 (437.1629, 2294.98) 1 436.1556 436.1556@4.280399 + 5-Hydroxy-3,6,7,2'',4'',5''-hexamethoxyflavone 4.2780056 5-Hydroxy-3,6,7,2'',4'',5''-hexamethoxyflavone [ C21 H22 O9, mfg=46.85, db=81.16, overall=64.01, Lipid ID=LMPK12113065, METLIN ID=51477 ] (436.15964, 6517.88)(437.16327, 1982.0708)(438.1654, 1009.63) 15 435.1524 5-Hydroxy-3,6,7,2'',4'',5''-hexamethoxyflavone + LMPK12113065 354.1291@4.2943606 4.2943606 (355.1364, 4186.3) 1 354.1291 354.1291@4.2943606 + 222.087@4.302338 4.302338 (223.0942, 6860.29) 1 222.087 222.087@4.302338 + 454.1808@4.3063264 4.3063264 (455.1881, 137941.98)(456.1911, 30089.26)(457.1926, 5399.37) 1 454.1808 454.1808@4.3063264 + 716.352@4.307324 4.307324 (717.3593, 2055.18)(718.3632, 1096.74) 1 716.352 716.352@4.307324 + 764.3651@4.315979 4.315979 (765.3716, 2070.525)(766.3744, 1102.77)(767.3737, 647.76)(787.3542, 1421.13) 2 764.3651 764.3651@4.315979 + 508.21@4.316299 4.316299 (509.2173, 2734.85) 1 508.21 508.21@4.316299 + 677.2467@4.316299 4.316299 (678.254, 4408.33)(679.2587, 1814.36) 1 677.2467 677.2467@4.316299 + 626.3347@4.318293 4.318293 (627.342, 4641.02)(628.3467, 2048.01)(649.3241, 967.08) 1 626.3347 626.3347@4.318293 + 742.3824@4.3205333 4.3205333 (743.3888, 7153.808)(744.39215, 3183.4849)(745.3957, 1647.1266)(765.37177, 1841.43)(766.3747, 1039.3) 4 742.3824 742.3824@4.3205333 + 229.2039@4.297048 4.297048 (230.21133, 4625.258)(231.21385, 893.82495)(232.20364, 1174.395)(212.2006, 3261.4) 4 229.2039 229.2039@4.297048 + 1064.5583@4.325273 4.325273 (1065.5656, 2012.87)(1066.5673, 740.99) 1 1064.5583 1064.5583@4.325273 + 1545.8724@4.3262706 4.3262706 (1546.8798, 3638.85)(1547.8853, 3623.57)(1548.8842, 2390.02)(1549.8824, 989.82)(1568.8615, 2388.2)(1569.8665, 3107.78)(1570.8671, 1712.41)(1571.8676, 727.82) 1 1545.8724 1545.8724@4.3262706 + 576.3413@4.3262706 4.3262706 (577.3484, 859.56)(578.336, 665.37)(594.3753, 1068.84) 1 576.3413 576.3413@4.3262706 + 1053.0668@4.3298683 4.3298683 (1054.073, 2853.025)(1055.0752, 1358.575)(1076.0566, 1262.49) 2 1053.0668 1053.0668@4.3298683 + 573.3451@4.330085 4.330085 (574.354, 4788.79)(575.3568, 1801.25)(576.3585, 1298.02) 2 573.3451 573.3451@4.330085 + 1310.2094@4.327268 4.327268 (1311.2169, 2162.78)(1312.2198, 3339.03)(1313.2189, 1117.41)(1333.1975, 678.61) 1 1310.2094 1310.2094@4.327268 + 1042.0763@4.328265 4.328265 (1043.0833, 3025.99)(1044.086, 1370.32)(1065.0658, 2108.18)(1066.0621, 1297.86) 1 1042.0763 1042.0763@4.328265 + 1041.5751@4.328265 4.328265 (1042.5824, 2008.33)(1043.5828, 2927.97)(1044.585, 1179.45) 1 1041.5751 1041.5751@4.328265 + 1310.7114@4.3292623 4.3292623 (1311.719, 3050.53)(1312.7189, 1965.36)(1313.7211, 950.2)(1333.7, 812.45)(1334.7023, 892.53) 1 1310.7114 1310.7114@4.3292623 + 1557.3665@4.3292623 4.3292623 (1558.374, 2172.71)(1559.3749, 2338.6)(1580.3553, 1212.65)(1581.3575, 896.4) 1 1557.3665 1557.3665@4.3292623 + 783.9287@4.3292623 4.3292623 (1590.845, 806.36)(1591.8503, 1331.59)(1592.8508, 827.87)(784.9363, 1839.55)(785.9373, 1100.98) 1 783.9287 783.9287@4.3292623 + 537.2732@4.2865305 4.2865305 (1075.5537, 10151.75)(1076.5564, 6267.75)(1077.5564, 2853.8)(1078.556, 988.52)(538.2809, 15057.0205)(539.2842, 4601.0103)(540.2833, 3778.33)(541.2854, 806.69)(560.2625, 1514.315) 3 537.2732 537.2732@4.2865305 + 694.3715@4.3275385 4.3275385 (695.3778, 4664.024)(696.3804, 1811.0641)(697.3798, 1706.92)(717.36163, 1362.01) 5 694.3715 694.3715@4.3275385 + 631.3978@4.3280153 4.3280153 (632.4046, 4263.907)(633.41144, 1788.1724)(634.405, 1287.69) 4 631.3978 631.3978@4.3280153 + 672.3537@4.333251 4.333251 (673.361, 1875.19) 1 672.3537 672.3537@4.333251 + 794.9199@4.331877 4.331877 (795.9273, 1520.86)(796.9284, 982.3599)(817.90894, 1384.065)(818.90967, 913.355) 3 794.9199 794.9199@4.331877 + 369.2866@4.3345304 4.3345304 (370.29422, 5782.418) 14 369.2866 369.2866@4.3345304 + 375.2984@4.3320813 4.3320813 (376.30557, 2286.3271)(377.3111, 968.8729)(393.3373, 1362.0) 14 375.2984 375.2984@4.3320813 + 656.2205@4.3310056 4.3310056 (657.22656, 1464.9025)(658.2307, 938.18)(679.20917, 2225.295)(680.21106, 1300.765)(681.2097, 848.68) 4 656.2205 656.2205@4.3310056 + 1096.529@4.3415523 4.3415523 (1097.5355, 4668.0303)(1098.5376, 3567.3599)(1099.5374, 1998.07)(1100.5376, 351.26) 2 1096.529 1096.529@4.3415523 + 559.2549@4.3512 4.3512 (560.2622, 10306.86)(561.266, 3833.19)(562.265, 1185.81) 1 559.2549 559.2549@4.3512 + 716.3533@4.3512 4.3512 (717.3598, 3428.57)(718.3618, 1389.85)(739.3452, 1355.44) 1 716.3533 716.3533@4.3512 + 503.3359@4.3659916 4.3659916 (504.34113, 2000.2625)(505.33823, 734.01666) 4 503.3359 503.3359@4.3659916 + 628.3507@4.364163 4.364163 (629.3584, 6083.51)(630.361, 2770.02)(651.3394, 5175.47)(652.3436, 2197.45)(653.3431, 959.26) 1 628.3507 628.3507@4.364163 + 672.3147@4.3671546 4.3671546 (673.322, 2615.21)(674.3325, 1153.86) 1 672.3147 672.3147@4.3671546 + Propanoylagmatine 4.37832 C02581 Propanoylagmatine [ C8 H18 N4 O, mfg=58.28, db=58.27, overall=58.27, KEGG ID=C02581, METLIN ID=65794 ] (187.15503, 4794.279)(188.16072, 1049.7129) 11 186.1478 Propanoylagmatine + 192.9991@4.39081 4.39081 (194.00665, 1805.1101) 2 192.9991 192.9991@4.39081 + 548.315@4.3900886 4.3900886 (549.3223, 2032.71)(550.3246, 822.3) 1 548.315 548.315@4.3900886 + 513.2766@4.3900886 4.3900886 (514.2851, 2763.36)(496.2722, 2358.16)(497.2762, 733.51) 1 513.2766 513.2766@4.3900886 + 280.194@4.394828 4.394828 (578.4173, 896.63)(281.20135, 64276.906)(282.20566, 14781.247)(283.2071, 6907.02)(284.2084, 846.65) 5 280.194 280.194@4.394828 + 130.9537@4.433962 4.433962 (131.9609, 1516.43) 1 130.9537 130.9537@4.433962 + 166.0851@4.4265914 4.4265914 (167.09229, 9466.58)(168.09935, 1746.0625) 4 166.0851 166.0851@4.4265914 + 354.1657@4.4698567 4.4698567 (355.173, 2498.07)(356.1817, 719.43) 1 354.1657 354.1657@4.4698567 + 297.0591@4.4917927 4.4917927 (298.0664, 2271.07)(299.0659, 957.75) 1 297.0591 297.0591@4.4917927 + 515.2915@4.5260057 4.5260057 (516.29846, 5914.25)(517.3028, 1910.1)(518.30566, 1182.655)(498.2888, 2679.05)(538.28064, 3434.49)(539.2845, 1367.6031)(540.2855, 725.67) 5 515.2915 515.2915@4.5260057 + 174.1181@4.5266886 4.5266886 (175.1254, 7419.6)(176.1261, 1721.32) 1 174.1181 174.1181@4.5266886 + 210.1122@4.5176525 4.5176525 (211.11974, 5602.223)(212.11998, 1357.16)(213.1192, 570.57) 3 210.1122 210.1122@4.5176525 + 559.2555@4.5279903 4.5279903 (560.26245, 5070.625)(561.26624, 1600.29) 2 559.2555 559.2555@4.5279903 + 278.1056@4.5775356 4.5775356 (279.1129, 3964.14)(280.1177, 1307.29) 1 278.1056 278.1056@4.5775356 + 276.082@4.5805264 4.5805264 (277.0893, 11612.39)(278.0919, 1280.28) 1 276.082 276.082@4.5805264 + 258.1006@4.5726094 4.5726094 (259.108, 5759.728)(260.112, 1220.4613)(261.1149, 1164.08)(281.08963, 989.49) 9 258.1006 258.1006@4.5726094 + 716.3527@4.5875053 4.5875053 (717.36, 5599.45)(718.3639, 2533.57)(719.3626, 844.45) 1 716.3527 716.3527@4.5875053 + 96.0323@4.582771 4.582771 (97.039665, 16370.46)(98.04209, 1073.2988) 11 96.0323 96.0323@4.582771 + 611.3239@4.5964785 4.5964785 (612.3313, 5732.09)(613.3339, 2627.09)(614.3318, 632.29)(634.3125, 2643.67) 1 611.3239 611.3239@4.5964785 + 672.3527@4.6024604 4.6024604 (673.3599, 2224.01)(674.3616, 1072.61) 1 672.3527 672.3527@4.6024604 + 1063.5565@4.60465 4.60465 (1064.5643, 3414.54)(1065.5656, 2996.8467)(1066.5651, 1086.7733)(1086.5447, 1622.0533)(1087.5459, 1611.01) 3 1063.5565 1063.5565@4.60465 + 1053.0668@4.60631 4.60631 (1054.0748, 4963.983)(1055.0751, 2318.79)(1056.0732, 990.17)(1076.0564, 2648.605)(1077.0557, 1269.855) 3 1053.0668 1053.0668@4.60631 + 1310.7122@4.6056457 4.6056457 (1311.7206, 4510.5)(1312.7198, 2948.58)(1313.7196, 1018.725)(1333.7006, 2840.83)(1334.7006, 1988.3) 3 1310.7122 1310.7122@4.6056457 + 576.3416@4.606744 4.606744 (577.3459, 1596.5701)(578.342, 983.66) 2 576.3416 576.3416@4.606744 + 1091.572@4.6054506 4.6054506 (1092.5792, 5587.82)(1093.5833, 3542.11)(1094.5837, 1538.34)(1095.5717, 478.09) 1 1091.572 1091.572@4.6054506 + 1545.8756@4.607639 4.607639 (1546.8807, 8777.894)(1547.8834, 8314.696)(1548.8834, 5524.847)(1549.8842, 2361.3435)(1550.8855, 950.03503)(1568.8652, 4488.73)(1569.8657, 5432.4453)(1570.8667, 2848.78)(1571.8672, 1209.0) 3 1545.8756 1545.8756@4.607639 + 1557.3687@4.6064477 4.6064477 (1558.3759, 3287.82)(1559.3771, 2648.52)(1580.3582, 2613.13)(1581.3566, 1786.47)(1582.3562, 888.85) 1 1557.3687 1557.3687@4.6064477 + 1299.2219@4.6064477 4.6064477 (1300.2297, 2865.49)(1301.2312, 4087.03)(1302.232, 1662.72)(1322.2106, 2381.87)(1323.2115, 3372.64)(1324.2126, 1052.15) 1 1299.2219 1299.2219@4.6064477 + 1299.7207@4.606942 4.606942 (1300.7288, 4962.575)(1301.7297, 3337.17)(1302.7305, 1032.81)(1322.7107, 3712.415)(1323.7114, 2800.145)(1324.7117, 902.7) 2 1299.7207 1299.7207@4.606942 + 1068.5371@4.6099305 4.6099305 (1069.5452, 1408.34)(1070.5492, 1058.85)(1071.5485, 771.245)(1091.525, 916.19995) 2 1068.5371 1068.5371@4.6099305 + 1333.195@4.609439 4.609439 (1334.2021, 2349.99)(1335.2036, 981.49) 1 1333.195 1333.195@4.609439 + 794.9196@4.607971 4.607971 (1590.8444, 2795.54)(1591.8468, 3345.6467)(1592.8491, 2004.6934)(1593.8436, 553.89996)(1612.8264, 1417.51)(1613.8315, 1498.615)(1614.828, 1505.99)(795.92773, 1790.89)(796.9292, 1011.51)(817.91003, 2478.5151)(818.9114, 1844.38) 3 794.9196 794.9196@4.607971 + 559.3295@4.610436 4.610436 (560.3368, 2311.01)(561.3486, 1300.0)(562.3546, 584.55) 1 559.3295 559.3295@4.610436 + 795.4225@4.610436 4.610436 (796.4298, 1957.67)(797.4357, 861.34) 1 795.4225 795.4225@4.610436 + 1095.7863@4.598356 4.598356 (1096.7922, 884.8)(1097.7943, 755.0775) 4 1095.7863 1095.7863@4.598356 + 1401.847@4.627903 4.627903 (1402.8539, 2636.4333)(1403.857, 2082.4634)(1404.8601, 1426.275)(1424.8346, 2493.82)(1425.8389, 2057.1135)(1426.8424, 1081.2767) 3 1401.847 1401.847@4.627903 + 716.3525@4.628381 4.628381 (717.3598, 6434.11)(718.3644, 2189.35)(719.3646, 928.81) 1 716.3525 716.3525@4.628381 + 559.2553@4.6288652 4.6288652 (560.26245, 15297.689)(561.2659, 5067.2)(562.26514, 1717.4299)(563.269, 286.06) 2 559.2553 559.2553@4.6288652 + 428.2815@4.6415553 4.6415553 (429.289, 3157.5068)(430.29053, 1114.2471)(431.29007, 712.20996) 13 428.2815 428.2815@4.6415553 + 899.5517@4.6462655 4.6462655 (900.559, 1841.7622)(901.56274, 1317.4042)(902.57434, 3889.708)(903.57794, 2001.1287) 13 899.5517 899.5517@4.6462655 + 941.585@4.6379704 4.6379704 (942.5924, 3728.934)(943.59595, 1211.605)(944.5913, 2238.075)(945.6134, 681.78) 5 941.585 941.585@4.6379704 + 276.0822@4.6443315 4.6443315 (277.0895, 6081.63)(278.0928, 993.68) 1 276.0822 276.0822@4.6443315 + 214.0687@4.641458 4.641458 (215.0758, 3992.4282)(216.0777, 634.96) 5 214.0687 214.0687@4.641458 + PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) 4.6985397 C00350 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) [ C45 H76 N O7 P, db=64.59, overall=64.59, KEGG ID=C00350, HMP ID=HMDB09710, METLIN ID=61098 ] (774.54285, 3709.6978)(775.5466, 2002.8044)(796.5269, 1306.55)(797.53, 1016.655) 19 773.5357 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) HMDB09710 + 499.2414@4.7071366 4.7071366 (500.2486, 2093.24) 1 499.2414 499.2414@4.7071366 + Chlorophyll b 4.724706 C05307 Chlorophyll b [ C55 H70 Mg N4 O6, db=10.66, overall=10.66, CAS ID=519-62-0, KEGG ID=C05307, METLIN ID=3704 ] 519-62-0 (907.5275, 2276.0803)(908.5419, 1534.2778)(909.545, 1311.365)(929.5093, 743.24)(930.5019, 662.81) 24 906.5201 Chlorophyll b + 604.537@4.740332 4.740332 (605.5459, 2615.7834)(606.5511, 1048.0366) 3 604.537 604.537@4.740332 + 694.3698@4.755982 4.755982 (695.3763, 3803.22)(696.3795, 2064.89)(697.3803, 539.28)(717.36, 3169.1)(718.3633, 1333.31)(719.3636, 617.39) 1 694.3698 694.3698@4.755982 + 1074.546@4.7569785 4.7569785 (1075.5532, 2879.04)(1076.5544, 1766.27)(1077.5566, 940.54)(1092.5798, 1162.11)(1097.5353, 12953.93)(1098.5386, 7878.93)(1099.5378, 3229.93)(1100.5419, 1120.2) 1 1074.546 1074.546@4.7569785 + 573.3458@4.7569785 4.7569785 (574.3533, 3451.09)(575.3584, 1278.2)(596.3342, 1090.27) 1 573.3458 573.3458@4.7569785 + 631.3964@4.7569785 4.7569785 (632.4037, 12972.26)(633.4082, 4941.41)(634.4093, 1757.13) 1 631.3964 631.3964@4.7569785 + 847.5842@4.7673445 4.7673445 (848.5908, 2679.75)(849.58936, 1526.01)(850.6051, 4272.715)(851.60925, 1694.005)(852.61664, 1203.815) 2 847.5842 847.5842@4.7673445 + 318.1199@4.7629595 4.7629595 (319.1271, 2449.15)(320.1355, 926.01) 1 318.1199 318.1199@4.7629595 + 813.5278@4.7688975 4.7688975 (814.5355, 3626.605)(815.5395, 1723.73)(816.5472, 1188.5466) 4 813.5278 813.5278@4.7688975 + 220.085@4.772212 4.772212 (221.09235, 5929.569)(222.09561, 1038.28)(223.0982, 649.75) 8 220.085 220.085@4.772212 + 793.5563@4.7922406 4.7922406 (794.56525, 2958.45)(795.56934, 1305.678)(796.57324, 1367.9467) 5 793.5563 793.5563@4.7922406 + 726.4426@4.82933 4.82933 (727.4504, 3876.101)(728.4537, 1703.4316) 8 726.4426 726.4426@4.82933 + 545.3023@4.847794 4.847794 (546.3096, 5151.15)(547.31305, 1714.0499)(548.3177, 593.93)(528.3, 2091.03)(563.3362, 1009.02496)(568.2927, 1594.285) 3 545.3023 545.3023@4.847794 + 781.5967@4.887963 4.887963 (782.604, 2113.4817)(783.60803, 1189.156) 6 781.5967 781.5967@4.887963 + 423.8563@4.8777 4.8777 (424.8639, 2979.555)(425.866, 591.84)(426.8612, 2122.15) 4 423.8563 423.8563@4.8777 + 363.226@4.910878 4.910878 (364.23303, 2720.7524)(365.2345, 876.77) 4 363.226 363.226@4.910878 + 220.0848@4.9385905 4.9385905 (221.0922, 6881.7573)(222.09659, 1362.335)(243.07405, 3583.87) 4 220.0848 220.0848@4.9385905 + 321.2131@5.008153 5.008153 (322.2203, 1330.41) 1 321.2131 321.2131@5.008153 + 645.9629@5.0171227 5.0171227 (646.9701, 3442.83) 1 645.9629 645.9629@5.0171227 + 630.1755@5.0358233 5.0358233 (631.1829, 1770.2467)(632.1873, 892.78)(648.2077, 599.875) 6 630.1755 630.1755@5.0358233 + 622.8821@5.098483 5.098483 (623.88934, 4599.7744)(624.8935, 900.05194) 7 622.8821 622.8821@5.098483 + 655.9345@5.136353 5.136353 (656.942, 1726.6525) 4 655.9345 655.9345@5.136353 + 286.2256@5.1675572 5.1675572 (287.23285, 2062.972)(288.23273, 589.744)(289.227, 1253.92) 14 286.2256 286.2256@5.1675572 + 526.3226@5.1975365 5.1975365 (527.3301, 1674.1583)(528.3347, 1169.77)(529.3323, 1171.06) 6 526.3226 526.3226@5.1975365 + 762.966@5.290129 5.290129 (763.97284, 1894.134)(764.9752, 1045.28) 5 762.966 762.966@5.290129 + 852.5506@5.3170795 5.3170795 (853.55664, 1300.46) 3 852.5506 852.5506@5.3170795 + 861.5493@5.323017 5.323017 (862.55676, 2010.23)(863.5614, 1037.315)(864.5724, 4507.75)(865.5777, 2883.23) 2 861.5493 861.5493@5.323017 + 829.5601@5.3821383 5.3821383 (830.5666, 90134.586)(831.571, 41733.535)(852.5476, 7967.49)(853.5499, 4333.25) 10 829.5601 829.5601@5.3821383 + 215.1886@5.3833456 5.3833456 (216.19556, 3303.884)(217.19885, 963.6175) 10 215.1886 215.1886@5.3833456 + 887.6139@5.3840895 5.3840895 (888.6186, 8429.151)(889.62036, 4886.295)(890.6371, 34246.68)(891.6404, 21243.79)(892.6523, 42469.07) 18 887.6139 887.6139@5.3840895 + 841.5832@5.383819 5.383819 (842.5896, 42009.6)(843.5926, 20923.518)(844.59796, 9553.874)(845.6028, 2200.545)(864.5708, 11119.513)(865.5748, 7517.9746)(866.589, 23854.05) 18 841.5832 841.5832@5.383819 + 963.5212@5.4012275 5.4012275 (964.5293, 2860.1816)(965.53564, 1729.8047)(966.53973, 1506.5659)(967.5428, 755.45)(968.5486, 605.06) 18 963.5212 963.5212@5.4012275 + 901.6462@5.410285 5.410285 (902.65283, 3998.2883)(903.65845, 2203.0037)(904.6696, 4068.14)(919.6701, 853.28)(924.6297, 1402.69) 8 901.6462 901.6462@5.410285 + 842.0615@5.4182625 5.4182625 (1685.1151, 580.05)(1686.113, 758.23)(843.0682, 4577.1416)(844.0734, 1830.7386)(845.075, 829.895) 17 842.0615 842.0615@5.4182625 + 1660.1187@5.41387 5.41387 (1661.1265, 1273.3566)(1662.131, 1565.425)(1663.1362, 1392.87)(1643.1254, 919.3)(1644.1295, 1152.15)(1645.1223, 966.61)(1683.1208, 598.85)(1684.1107, 577.85) 3 1660.1187 1660.1187@5.41387 + 813.5522@5.4154406 5.4154406 (1628.1168, 978.34)(1629.1206, 1181.98)(1630.1248, 1214.68)(814.5592, 133716.52)(815.5624, 68414.2)(816.5739, 109859.85)(817.5768, 60847.805)(818.5911, 431626.3)(836.5426, 19374.64)(837.5465, 9886.262)(838.55664, 31901.547)(839.5596, 22344.64) 22 813.5522 813.5522@5.4154406 + 837.6021@5.425647 5.425647 (838.6077, 42809.938)(839.61017, 20781.463)(840.6208, 86465.79) 15 837.6021 837.6021@5.425647 + 883.5236@5.4251647 5.4251647 (884.54236, 2574.7021)(885.5467, 1400.4868)(886.5312, 2753.5383)(887.5575, 167.73)(866.5237, 4201.46)(867.5233, 2383.74)(868.5315, 5913.33)(869.5342, 1937.0)(870.5495, 7738.33)(901.5691, 734.68) 10 883.5236 883.5236@5.4251647 + 1231.8314@5.439852 5.439852 (1232.8337, 2059.827)(1233.838, 2300.277)(1234.8396, 1716.9615) 7 1231.8314 1231.8314@5.439852 + 924.5626@5.4421115 5.4421115 (925.5612, 1549.402)(926.5588, 1099.8981)(927.55707, 760.61993) 5 924.5626 924.5626@5.4421115 + 1253.3237@5.4371147 5.4371147 (1254.3331, 1816.2112)(1255.335, 1558.707)(1256.3356, 1306.7433)(1257.3495, 217.55)(1236.3367, 3334.25)(1237.3384, 4234.21)(1238.3446, 4360.98)(1239.3475, 3381.23)(1240.3389, 2864.33) 8 1253.3237 1253.3237@5.4371147 + 1250.3291@5.4503527 5.4503527 (1251.3365, 1374.6786)(1252.3378, 1426.2184)(1253.3344, 1410.5884)(1254.3406, 652.68) 7 1250.3291 1250.3291@5.4503527 + 818.5871@5.4410677 5.4410677 (819.5948, 268915.0)(820.5931, 109533.75)(821.5919, 32620.275)(841.5763, 58339.926)(842.5824, 33480.96)(843.5881, 13072.25) 11 818.5871 818.5871@5.4410677 + 872.5589@5.440011 5.440011 (873.5565, 9933.667) 4 872.5589 872.5589@5.440011 + 738.5378@5.438514 5.438514 (739.54517, 1424.75) 2 738.5378 738.5378@5.438514 + 1618.1191@5.4412985 5.4412985 (1619.1199, 2113.98)(1620.1171, 2345.8823)(1621.1215, 1906.1326) 8 1618.1191 1618.1191@5.4412985 + 822.0529@5.439055 5.439055 (1662.1378, 2714.4)(1663.1438, 2473.05)(1664.1454, 2052.47)(1665.148, 1146.27)(823.06384, 2121.8198)(824.0671, 1187.6167)(825.05396, 1034.225) 4 822.0529 822.0529@5.439055 + 903.5473@5.439685 5.439685 (904.55396, 5612.205)(905.5578, 2794.4302)(906.5724, 8047.3)(907.5727, 3482.09)(908.5602, 2462.42)(926.5385, 2350.44)(927.5404, 840.73)(928.5583, 3107.05)(929.5541, 1057.83)(930.5661, 1702.92)(931.5696, 577.8)(932.5568, 534.68) 2 903.5473 903.5473@5.439685 + 1237.3383@5.445765 5.445765 (1238.3369, 2049.4233)(1239.3387, 1539.3229)(1240.3346, 1452.3485)(1220.3351, 4352.05)(1221.343, 4031.58)(1222.3479, 2683.82)(1260.3312, 968.89)(1261.3322, 923.59)(1262.3333, 792.89) 9 1237.3383 1237.3383@5.445765 + 1216.828@5.472645 5.472645 (1217.8358, 2619.723)(1218.8387, 2128.0286)(1219.8335, 2421.982)(1220.8395, 3511.47)(1221.8448, 3602.77) 7 1216.828 1216.828@5.472645 + 1234.338@5.4469304 5.4469304 (1235.3477, 2520.438)(1236.349, 1926.0476)(1237.3357, 1616.5024)(1238.3384, 2122.67)(1239.3387, 1731.92)(1257.3383, 1102.92)(1258.3368, 1264.53)(1259.3303, 1072.1) 9 1234.338 1234.338@5.4469304 + 751.5344@5.4355826 5.4355826 (752.54736, 2235.65)(753.54834, 1226.4125) 4 751.5344 751.5344@5.4355826 + 1607.0892@5.435632 5.435632 (1608.1143, 2268.9343)(1609.1167, 2044.3667)(1610.1166, 5661.335)(1611.1146, 6963.5483)(1612.1244, 11333.841)(1625.1399, 2528.375)(1626.1351, 2051.5352)(1627.1257, 1548.7)(1630.12, 3184.55)(1631.1249, 2910.1497)(1632.1254, 1953.2666)(1633.1262, 2267.53) 19 1607.0892 1607.0892@5.435632 + 1246.8538@5.4359727 5.4359727 (1247.8547, 2469.566)(1248.8491, 1487.71)(1249.8345, 1245.0125)(1269.8319, 1052.1)(1270.8285, 743.44) 5 1246.8538 1246.8538@5.4359727 + 1205.3159@5.4328423 5.4328423 (1206.3242, 2692.9788)(1223.3513, 1768.63)(1224.3335, 2560.71)(1225.3384, 3046.41) 7 1205.3159 1205.3159@5.4328423 + 887.5458@5.394675 5.394675 (888.56177, 3220.7153)(889.55994, 1936.6426)(890.5659, 3026.6602)(891.5607, 689.3)(892.5421, 3696.15)(910.5399, 2382.085)(911.5474, 1966.9551)(912.55145, 2075.345) 4 887.5458 887.5458@5.394675 + DGDG(18:2(9Z,12Z)/18:2(9Z,12Z)[15(R)OH-18:2(9Z,12Z]) 5.452849 DGDG(18:2(9Z,12Z)/18:2(9Z,12Z)[15(R)OH-18:2(9Z,12Z]) [ C69 H118 O17, db=57.28, overall=57.28, Lipid ID=LMGL05010015, METLIN ID=46651 ] (1241.8314, 1777.4834)(1242.8352, 1486.4999)(1243.8381, 1240.9056) 12 1240.8239 DGDG(18:2(9Z,12Z)/18:2(9Z,12Z)[15(R)OH-18:2(9Z,12Z]) + LMGL05010015 1225.3357@5.4569864 5.4569864 (1226.3406, 2995.4275)(1227.3398, 2150.1775)(1228.338, 1919.4467) 4 1225.3357 1225.3357@5.4569864 + 1228.8304@5.451466 5.451466 (1229.8353, 2244.91)(1230.8375, 1851.4156)(1231.8375, 1901.3883)(1232.833, 1274.9299)(1233.8322, 1882.6951)(1211.829, 3731.17)(1212.8342, 3546.69)(1213.8411, 3245.67) 7 1228.8304 1228.8304@5.451466 + 1240.3291@5.44348 5.44348 (1241.3318, 1835.52)(1242.3342, 1899.5162)(1243.3378, 1666.943)(1244.3369, 438.37)(1263.325, 1188.0)(1264.3285, 1302.39) 8 1240.3291 1240.3291@5.44348 + 804.5484@5.4419785 5.4419785 (805.55615, 93258.555) 5 804.5484 804.5484@5.4419785 + 1211.3243@5.457017 5.457017 (1212.3346, 3128.3381)(1213.3383, 2929.0898)(1214.3408, 2506.6921)(1215.3413, 2468.43)(1216.3276, 2543.96)(1194.325, 2184.75) 10 1211.3243 1211.3243@5.457017 + 1198.3282@5.452063 5.452063 (1199.3279, 2773.912)(1200.3314, 2924.1978)(1201.3381, 2157.055) 5 1198.3282 1198.3282@5.452063 + 1612.1226@5.4350533 5.4350533 (1613.1279, 9371.027)(1614.1367, 7828.0938)(1615.1412, 5770.3633)(1635.1151, 1488.19)(1636.1227, 1396.83)(1637.121, 1070.8) 10 1612.1226 1612.1226@5.4350533 + 1228.3286@5.4528313 5.4528313 (1229.3352, 2147.98)(1230.3369, 2278.3303)(1231.3396, 2535.4812)(1211.326, 1839.2)(1212.3303, 2163.67)(1213.3379, 2129.125) 10 1228.3286 1228.3286@5.4528313 + 1198.8206@5.4566236 5.4566236 (1199.828, 3155.4297)(1200.8345, 2710.708)(1201.842, 1966.195) 11 1198.8206 1198.8206@5.4566236 + 1593.1611@5.487724 5.487724 (1594.1571, 4481.3286)(1595.1565, 3027.0698)(1596.1573, 2905.202)(1597.141, 1953.8531)(1598.1257, 2538.19) 7 1593.1611 1593.1611@5.487724 + 1589.1311@5.481375 5.481375 (1590.1385, 8132.092)(1591.1436, 6198.596)(1592.1532, 5646.5415)(1593.159, 4720.815)(1594.1636, 3187.1965)(1595.1652, 1303.82)(1596.165, 1087.88)(1572.1229, 1624.135)(1573.1218, 1601.55)(1574.1272, 2357.59) 9 1589.1311 1589.1311@5.481375 + 1583.0891@5.455427 5.455427 (1584.0988, 1700.4683)(1585.1039, 1762.0546)(1586.1112, 5745.765)(1587.1144, 7388.09) 11 1583.0891 1583.0891@5.455427 + 1206.8256@5.4522405 5.4522405 (1207.8284, 6390.456)(1208.8339, 5226.9546)(1209.8408, 3761.5264)(1210.8536, 3697.66) 27 1206.8256 1206.8256@5.4522405 + 1207.3293@5.4544277 5.4544277 (1208.3358, 7854.1333)(1209.3433, 7023.9897)(1210.3492, 6520.782)(1211.356, 3001.63) 11 1207.3293 1207.3293@5.4544277 + 1199.3267@5.462891 5.462891 (1200.3319, 2924.8813)(1201.3391, 2735.8264)(1202.343, 1633.27) 8 1199.3267 1199.3267@5.462891 + 1213.8387@5.476488 5.476488 (1214.8412, 1880.5443)(1215.8397, 1698.9377)(1216.838, 1546.3079) 9 1213.8387 1213.8387@5.476488 + 1194.3237@5.4653854 5.4653854 (1195.3315, 4889.01)(1196.3354, 6106.192)(1197.3419, 7846.527)(1198.3453, 993.03)(1199.3416, 1081.72) 15 1194.3237 1194.3237@5.4653854 + 1586.1064@5.4561124 5.4561124 (1587.1146, 5661.0767)(1588.1252, 9405.465)(1589.1301, 7889.5547) 3 1586.1064 1586.1064@5.4561124 + Chalconaringenin 2'',4''-di-O-glucoside 5.4650803 Chalconaringenin 2'',4''-di-O-glucoside [ C27 H32 O15, db=30.21, overall=30.21, Lipid ID=LMPK12120254, METLIN ID=52058 ] (1215.336, 1874.5547)(1216.3352, 1952.6399)(1217.3365, 2080.1982)(1218.3354, 1525.25) 9 1214.3208 Chalconaringenin 2'',4''-di-O-glucoside + LMPK12120254 804.0462@5.4660373 5.4660373 (805.05347, 10789.642)(806.06067, 9376.734)(822.0867, 1004.55) 22 804.0462 804.0462@5.4660373 + 886.5393@5.4645114 5.4645114 (887.5466, 2671.56) 1 886.5393 886.5393@5.4645114 + 1603.613@5.466504 5.466504 (1604.6202, 944.57)(1605.6174, 1147.96)(1606.6179, 811.52) 1 1603.613 1603.613@5.466504 + 262.0954@5.4905114 5.4905114 (263.1024, 2421.9565)(264.1048, 1049.99) 3 262.0954 262.0954@5.4905114 + 1243.3308@5.4226146 5.4226146 (1244.338, 2475.0608)(1245.3328, 1208.3175)(1246.332, 1213.18)(1247.3267, 980.07)(1248.3247, 1238.83) 13 1243.3308 1243.3308@5.4226146 + 853.6233@5.487799 5.487799 (854.6333, 4601.3643)(855.63586, 2401.6685)(871.6635, 2561.32) 7 853.6233 853.6233@5.487799 + 836.6091@5.486185 5.486185 (837.615, 27039.324)(838.6193, 15496.62)(839.6264, 6717.197) 8 836.6091 836.6091@5.486185 + 793.5905@5.483886 5.483886 (794.59924, 42845.71)(795.60376, 18571.824)(796.58356, 47927.277)(797.5854, 22948.166)(798.57733, 16682.719)(799.5816, 4607.54) 23 793.5905 793.5905@5.483886 + 735.5191@5.4602776 5.4602776 (736.5232, 1956.9258)(737.5247, 940.45)(738.54175, 3008.7798)(739.545, 3420.9) 5 735.5191 735.5191@5.4602776 + 1209.8461@5.490844 5.490844 (1210.8527, 4193.8257)(1211.8597, 3051.053)(1212.8591, 1725.315)(1192.8345, 1847.85) 7 1209.8461 1209.8461@5.490844 + 651.4132@5.4854317 5.4854317 (652.4205, 2918.14)(653.4407, 549.34) 1 651.4132 651.4132@5.4854317 + 1203.328@5.470622 5.470622 (1204.3315, 2009.2849)(1205.3328, 1633.455) 2 1203.328 1203.328@5.470622 + 710.4965@5.486428 5.486428 (711.5025, 901.42)(728.531, 1558.44)(729.5331, 1073.97) 1 710.4965 710.4965@5.486428 + 1217.3176@5.4357834 5.4357834 (1218.3293, 2095.5928)(1219.3387, 2128.6)(1220.3397, 2361.21)(1235.3484, 2259.16)(1236.3376, 1730.6)(1237.3374, 2596.17) 14 1217.3176 1217.3176@5.4357834 + 874.5726@5.4290056 5.4290056 (875.5789, 5927.414)(876.5825, 5535.3555)(877.57886, 2486.6033)(857.5714, 18740.27)(858.5819, 18413.08)(859.5859, 7853.15)(897.5629, 3827.99) 5 874.5726 874.5726@5.4290056 + 1183.3296@5.4964256 5.4964256 (1184.3368, 6175.1006)(1185.3442, 7833.684)(1186.3506, 5786.9595)(1187.355, 2686.81)(1188.3448, 718.9) 25 1183.3296 1183.3296@5.4964256 + 1590.1378@5.4997187 5.4997187 (1591.1428, 5038.4985)(1592.1534, 5386.5874)(1593.1575, 4111.9023) 5 1590.1378 1590.1378@5.4997187 + 1191.3362@5.511371 5.511371 (1192.3396, 1441.906)(1193.3357, 1854.0033)(1194.335, 1717.4701) 5 1191.3362 1191.3362@5.511371 + 1196.3369@5.5019283 5.5019283 (1197.3438, 4540.4004)(1198.3508, 5137.9985)(1199.3566, 3840.0085)(1200.3569, 1229.885) 9 1196.3369 1196.3369@5.5019283 + 867.6455@5.5083804 5.5083804 (868.65265, 44579.773)(869.656, 22186.543)(870.6616, 8946.681)(871.66565, 2009.3335)(872.6561, 679.18)(890.63, 2939.82) 31 867.6455 867.6455@5.5083804 + 949.5239@5.4700103 5.4700103 (950.5285, 1705.0366)(951.5338, 831.28) 3 949.5239 949.5239@5.4700103 + 827.6033@5.52205 5.52205 (828.6075, 7924.921)(829.6119, 4022.6528)(830.5995, 16362.48)(831.6028, 4737.65)(810.6001, 87256.44)(811.6035, 43917.19)(812.6114, 24582.98)(850.5977, 3343.58) 8 827.6033 827.6033@5.52205 + PS(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 5.4804873 PS(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C49 H84 N O10 P, db=51.85, overall=51.85, CAS ID=, Lipid ID=LMGP03010004, METLIN ID=3872 ] (900.57007, 3907.723)(901.57275, 2160.487)(902.56665, 1417.965) 16 899.5595 PS(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + LMGP03010004 529.3159@5.504924 5.504924 (530.32336, 2352.9656)(531.32733, 976.95996)(547.3455, 601.64) 7 529.3159 529.3159@5.504924 + 1188.3329@5.5032897 5.5032897 (1189.3375, 1172.0619)(1190.3429, 1098.1633)(1191.3418, 1236.59)(1171.3308, 5662.9927) 5 1188.3329 1188.3329@5.5032897 + 1170.8259@5.509054 5.509054 (1171.8331, 6346.205)(1172.84, 8894.26)(1173.847, 6400.51)(1174.852, 2392.115)(1175.8546, 249.81) 26 1170.8259 1170.8259@5.509054 + 1205.3292@5.509077 5.509077 (1206.3367, 1925.5267)(1207.3385, 1695.9149)(1208.3362, 1050.605) 9 1205.3292 1205.3292@5.509077 + 1176.3323@5.5153885 5.5153885 (1177.342, 939.315)(1178.3428, 996.41)(1179.3407, 1646.185) 2 1176.3323 1176.3323@5.5153885 + 1576.6266@5.520509 5.520509 (1577.633, 2359.1787)(1578.6389, 2040.2651)(1579.6412, 1367.6)(1580.6519, 386.78)(1599.6257, 859.01) 8 1576.6266 1576.6266@5.520509 + 1576.1239@5.509787 5.509787 (1577.1327, 2746.8215)(1578.1354, 2726.6516)(1579.137, 2036.7501)(1580.1389, 1568.76)(1594.1665, 3235.07)(1595.1699, 2172.16)(1596.1814, 1818.99) 7 1576.1239 1576.1239@5.509787 + 1198.351@5.542356 5.542356 (1199.3583, 3792.0854)(1200.3635, 2255.3628)(1201.3448, 1526.95) 8 1198.351 1198.351@5.542356 + 1192.3282@5.522251 5.522251 (1193.3354, 2572.1938)(1194.3365, 2590.3154)(1195.3391, 1587.9989) 19 1192.3282 1192.3282@5.522251 + 1562.612@5.5067806 5.5067806 (1563.6188, 2838.8782)(1564.6276, 4213.538)(1565.6326, 3204.8674)(1566.6357, 1685.345)(1580.6344, 821.19) 6 1562.612 1562.612@5.5067806 + 797.5691@5.5163136 5.5163136 (798.5763, 36454.0)(799.5742, 19110.04) 1 797.5691 797.5691@5.5163136 + 1540.1224@5.5247326 5.5247326 (1541.1296, 8913.075)(1542.1415, 12778.385)(1543.1462, 9773.5625) 11 1540.1224 1540.1224@5.5247326 + 793.0533@5.5482717 5.5482717 (794.061, 7303.625)(795.0681, 8483.435)(796.07605, 4196.0728)(797.0818, 1103.23) 9 793.0533 793.0533@5.5482717 + 1557.1339@5.5169945 5.5169945 (1558.1344, 2275.8638)(1559.1343, 1956.9951)(1560.1407, 2058.6287)(1561.1372, 1084.7324)(1580.1228, 2276.93) 8 1557.1339 1557.1339@5.5169945 + 1179.8298@5.524152 5.524152 (1180.837, 2359.4534)(1181.8416, 1956.895)(1182.8346, 1210.2117)(1202.8225, 779.79)(1203.8269, 793.75) 9 1179.8298 1179.8298@5.524152 + 1192.8271@5.5246854 5.5246854 (1193.8344, 3000.3525)(1194.8384, 1866.1423)(1195.8385, 1350.4972) 17 1192.8271 1192.8271@5.5246854 + 1565.1326@5.5219054 5.5219054 (1566.1383, 7910.798)(1567.1438, 5693.444)(1568.1567, 10313.363)(1569.1621, 8323.854)(1570.1685, 5969.2534)(1571.1743, 2939.19)(1572.1825, 2634.92) 5 1565.1326 1565.1326@5.5219054 + 1304.8278@5.5738845 5.5738845 (1305.8347, 2130.0298)(1306.8358, 1956.3038)(1307.8435, 1701.3086)(1308.8474, 1175.235)(1309.8593, 1823.4)(1327.8175, 1356.5782)(1328.8208, 1258.72)(1329.8293, 1122.5159) 8 1304.8278 1304.8278@5.5738845 + 1166.8215@5.531366 5.531366 (1167.83, 3038.232)(1168.8335, 1544.3077) 10 1166.8215 1166.8215@5.531366 + 1166.3215@5.5318794 5.5318794 (1167.3298, 2342.2327)(1168.3315, 1777.6616) 17 1166.3215 1166.3215@5.5318794 + 601.3472@5.5292635 5.5292635 (602.3545, 2289.97) 1 601.3472 601.3472@5.5292635 + 837.6146@5.536112 5.536112 (838.62494, 10647.65)(839.6296, 4138.018) 6 837.6146 837.6146@5.536112 + 875.5626@5.6515 5.6515 (876.56964, 12108.15)(877.5717, 5818.8237)(878.5659, 2307.705)(879.56354, 423.44666)(898.5507, 661.24) 17 875.5626 875.5626@5.6515 + 361.2456@5.541125 5.541125 (362.25363, 14821.84)(363.256, 4032.4734)(364.2595, 1104.975)(344.2393, 5140.57)(345.2457, 1229.85)(379.28223, 4261.8)(384.23566, 3647.28)(385.23694, 1447.2849) 4 361.2456 361.2456@5.541125 + 1231.8232@5.5570345 5.5570345 (1232.8303, 2737.1282)(1233.8345, 3576.1096)(1234.8405, 2441.4001) 16 1231.8232 1231.8232@5.5570345 + 1246.3376@5.5337296 5.5337296 (1247.3467, 2964.4941)(1248.351, 2324.4185)(1249.3536, 1718.6719) 19 1246.3376 1246.3376@5.5337296 + 1546.161@5.5551634 5.5551634 (1547.1683, 2454.04)(1548.171, 979.36) 1 1546.161 1546.161@5.5551634 + 153.0902@5.5680065 5.5680065 (154.09743, 9758.989)(155.1023, 928.44995) 3 153.0902 153.0902@5.5680065 + 967.0678@5.572269 5.572269 (968.0738, 1669.1683)(969.0763, 1367.5024)(970.081, 942.38)(990.0579, 850.26) 11 967.0678 967.0678@5.572269 + 908.5733@5.5828805 5.5828805 (909.5794, 3627.0076)(910.5668, 1316.935)(911.5749, 2050.94)(912.5684, 544.73) 4 908.5733 908.5733@5.5828805 + 716.5547@5.573094 5.573094 (717.562, 2071.44)(718.5456, 880.02) 1 716.5547 716.5547@5.573094 + 1382.6313@5.5790706 5.5790706 (1383.6378, 1039.08)(1405.621, 1652.96)(1406.6237, 1420.7)(1407.6259, 1151.03) 1 1382.6313 1382.6313@5.5790706 + 1065.6462@5.537597 5.537597 (1066.6522, 1720.31)(1067.6549, 1113.2875)(1068.6547, 956.932) 9 1065.6462 1065.6462@5.537597 + 1142.1569@5.585443 5.585443 (1143.1646, 3781.4702)(1144.167, 1340.735)(1145.1626, 1869.74)(1146.1621, 705.32)(1147.1603, 683.94) 2 1142.1569 1142.1569@5.585443 + 869.6581@5.5582957 5.5582957 (870.66425, 11184.782)(871.66846, 4468.8076)(872.6706, 1737.408) 8 869.6581 869.6581@5.5582957 + 888.5839@5.591993 5.591993 (889.5885, 2590.269)(890.5882, 1442.5773)(911.57367, 4508.5396)(912.5764, 2459.1465)(913.58057, 2283.13)(914.5736, 828.2) 9 888.5839 888.5839@5.591993 + Hodgkinsine 5.601868 C09211 Hodgkinsine [ C33 H38 N6, db=57.45, overall=28.73, CAS ID=18210-71-4, KEGG ID=C09211, METLIN ID=67520 ] 18210-71-4 (536.3461, 2405.7917)(537.3496, 985.56604) 6 535.3392 Hodgkinsine + 916.6128@5.5998683 5.5998683 (917.6204, 1856.1635)(918.62177, 1390.5166) 3 916.6128 916.6128@5.5998683 + 449.3484@5.6118493 5.6118493 (450.35626, 3470.5828)(451.36014, 1038.6921) 10 449.3484 449.3484@5.6118493 + 959.6062@5.5879965 5.5879965 (960.6118, 1946.7476)(961.61395, 1057.21)(982.5949, 1850.5233)(983.6033, 980.0234)(984.6136, 536.88) 4 959.6062 959.6062@5.5879965 + 1297.3527@5.5861015 5.5861015 (1298.3582, 1139.1381)(1299.3624, 1484.094)(1300.3672, 869.6225)(1320.3457, 1103.14)(1321.3456, 1453.38)(1322.3562, 1150.77)(1323.3488, 378.71) 5 1297.3527 1297.3527@5.5861015 + 920.5393@5.576348 5.576348 (921.5486, 3880.8936)(922.55334, 2114.3298)(923.55347, 1431.5726)(924.5611, 451.46002)(903.5433, 2472.51)(943.5271, 2869.5576)(944.5424, 1275.4733)(945.5483, 807.51) 25 920.5393 920.5393@5.576348 + 677.4628@5.624351 5.624351 (678.4704, 20456.252)(679.4739, 6955.7188)(680.47266, 1986.9584)(700.45105, 4918.548)(701.45496, 2230.9475)(702.44934, 1037.7151) 7 677.4628 677.4628@5.624351 + 676.4493@5.6248903 5.6248903 (677.4565, 2653.49) 1 676.4493 676.4493@5.6248903 + PE(P-18:0/17:2(9Z,12Z)) 5.6195655 PE(P-18:0/17:2(9Z,12Z)) [ C40 H76 N O7 P, db=69.12, overall=34.56, Lipid ID=LMGP02030044, METLIN ID=77622 ] (736.5225, 3099.3967)(737.5263, 1306.1683)(738.5342, 816.77747) 6 735.516 PE(P-18:0/17:2(9Z,12Z)) + LMGP02030044 761.5838@5.6340485 5.6340485 (762.5907, 79566.08)(763.59375, 15310.672)(764.5936, 2633.9375)(765.5885, 353.89)(744.5874, 12286.97) 4 761.5838 761.5838@5.6340485 + 602.287@5.6278787 5.6278787 (603.2943, 1985.95) 1 602.287 602.287@5.6278787 + 981.5891@5.5889535 5.5889535 (982.593, 1574.5767)(983.59576, 1012.9467)(984.6119, 848.22)(1004.57, 890.47) 12 981.5891 981.5891@5.5889535 + 937.565@5.6328588 5.6328588 (938.5723, 1204.44)(939.5914, 1008.28) 1 937.565 937.565@5.6328588 + 824.6089@5.577872 5.577872 (825.6152, 5597.4126)(826.6248, 2676.125)(827.6326, 1277.38) 4 824.6089 824.6089@5.577872 + 792.6052@5.6358466 5.6358466 (793.6124, 1587.05) 1 792.6052 792.6052@5.6358466 + 364.2695@5.631087 5.631087 (746.57153, 13163.872)(747.5727, 5611.06)(748.576, 1707.1068)(365.277, 8291.555)(366.28046, 2055.1873)(367.2832, 785.83) 21 364.2695 364.2695@5.631087 + 930.0681@5.6028013 5.6028013 (931.07385, 1415.4)(932.07916, 1092.1428)(933.0815, 1037.68) 8 930.0681 930.0681@5.6028013 + 699.4438@5.6293626 5.6293626 (700.4513, 3679.08)(701.4526, 774.15)(702.4599, 677.0) 2 699.4438 699.4438@5.6293626 + 1079.5853@5.61199 5.61199 (1080.5906, 1176.4033)(1081.5947, 771.34)(1102.5779, 771.6)(1103.5789, 754.21) 3 1079.5853 1079.5853@5.61199 + 779.5443@5.601204 5.601204 (780.5517, 245752.81)(781.5552, 118437.54)(782.5658, 44138.758) 12 779.5443 779.5443@5.601204 + 1246.3376@5.6107116 5.6107116 (1247.3463, 2754.2937)(1248.3522, 2606.2217)(1249.3589, 1630.1766)(1264.3761, 855.0999)(1265.3593, 730.89) 17 1246.3376 1246.3376@5.6107116 + 1246.8416@5.625064 5.625064 (1247.8506, 2587.0151)(1248.8555, 1989.9537)(1249.8643, 1671.3188) 8 1246.8416 1246.8416@5.625064 + Gln Trp Glu 5.655397 Gln Trp Glu [ C21 H27 N5 O7, mfg=63.47, db=63.21, overall=63.34, METLIN ID=17631 ] (462.19653, 2263.0457)(463.20026, 807.848) 17 461.1891 Gln Trp Glu + 1286.8752@5.649709 5.649709 (1287.881, 2513.6355)(1288.8857, 1981.0614)(1289.8906, 1771.6549)(1290.8972, 1955.7849)(1291.8989, 969.22)(1309.8619, 1644.69)(1310.865, 1198.1699)(1311.8741, 1136.99) 9 1286.8752 1286.8752@5.649709 + 663.4465@5.6573 5.6573 (664.4541, 4269.48)(665.45795, 1480.908)(666.4441, 1105.0167)(686.43567, 1525.7749)(687.44104, 842.595)(688.4429, 1075.7633) 5 663.4465 663.4465@5.6573 + 929.5576@5.6097045 5.6097045 (930.5654, 5136.275)(931.5741, 3727.9)(947.5876, 555.18) 8 929.5576 929.5576@5.6097045 + 504.3029@5.654275 5.654275 (505.30957, 4346.156)(506.32202, 1704.715)(507.3239, 1087.29) 7 504.3029 504.3029@5.654275 + 707.4844@5.6270304 5.6270304 (708.4916, 4332.83)(709.4938, 2091.2625)(710.49384, 997.6625) 9 707.4844 707.4844@5.6270304 + 1593.1646@5.682485 5.682485 (1594.1738, 2865.7437)(1595.1761, 2694.2117)(1596.1807, 1855.7849)(1597.1815, 861.4634)(1576.1648, 1497.32)(1577.1545, 1044.06) 11 1593.1646 1593.1646@5.682485 + 685.4311@5.597979 5.597979 (686.4383, 2422.5898)(687.4411, 1182.1666)(688.44073, 2417.9033)(689.462, 1873.69) 3 685.4311 685.4311@5.597979 + 1-Methyladenine 5.6857085 C02216 1-Methyladenine [ C6 H7 N5, mfg=47.34, db=47.34, overall=47.34, CAS ID=5142-22-3, KEGG ID=C02216, HMP ID=HMDB11599, METLIN ID=62374 ] 5142-22-3 (150.07764, 3280.8215) 6 149.0702 1-Methyladenine HMDB11599 + 744.5857@5.693617 5.693617 (745.593, 7140.57)(746.5779, 6635.54) 1 744.5857 744.5857@5.693617 + 635.4155@5.7059126 5.7059126 (636.42206, 5305.8037)(637.4246, 2101.81)(638.42206, 1075.0234) 5 635.4155 635.4155@5.7059126 + 809.081@5.7121234 5.7121234 (810.0862, 1713.7133)(811.0728, 788.43) 3 809.081 809.081@5.7121234 + 866.5362@5.6534553 5.6534553 (867.5487, 2501.384)(868.54083, 2144.25) 5 866.5362 866.5362@5.6534553 + 735.5675@5.713331 5.713331 (736.57495, 3285.365)(737.5775, 1109.0) 2 735.5675 735.5675@5.713331 + 896.5532@5.7286644 5.7286644 (897.56274, 1325.675)(898.57263, 848.04004)(899.5794, 780.89) 2 896.5532 896.5532@5.7286644 + 788.6071@5.6953897 5.6953897 (789.61285, 27141.508)(790.6113, 9460.064)(791.6176, 2567.16) 2 788.6071 788.6071@5.6953897 + 771.5783@5.767364 5.767364 (772.5873, 9327.42)(773.5907, 4773.7803)(774.586, 8861.637)(775.5873, 4325.42) 5 771.5783 771.5783@5.767364 + 494.2895@5.789073 5.789073 (495.29633, 1917.07)(496.3074, 919.05) 2 494.2895 494.2895@5.789073 + 910.5483@5.8312044 5.8312044 (911.5592, 2250.4949)(912.5593, 1541.7933)(913.55646, 1159.635)(928.5928, 1190.1599)(929.5903, 1047.53) 8 910.5483 910.5483@5.8312044 + 814.5842@5.8424377 5.8424377 (815.58813, 2578.5674)(816.58234, 2631.0735)(817.5746, 1444.19)(797.5837, 3031.39)(798.5884, 847.96) 4 814.5842 814.5842@5.8424377 + 803.5557@5.885006 5.885006 (804.56177, 1710.82)(805.5781, 789.2)(806.5606, 2302.82)(807.5632, 1018.8)(821.5897, 3809.28) 2 803.5557 803.5557@5.885006 + 815.0782@5.838101 5.838101 (816.0879, 2222.448)(817.072, 1551.3833)(818.06665, 614.53503)(838.0684, 752.44) 5 815.0782 815.0782@5.838101 + 808.5789@5.9100647 5.9100647 (809.5859, 57823.926)(810.59454, 20416.756)(811.5993, 7049.2163) 3 808.5789 808.5789@5.9100647 + 957.5627@5.8201017 5.8201017 (958.57, 2021.36)(959.5741, 1150.74) 1 957.5627 957.5627@5.8201017 + 969.5658@5.8291764 5.8291764 (970.57196, 1181.5867)(971.5764, 758.3) 3 969.5658 969.5658@5.8291764 + 700.1973@5.832817 5.832817 (701.2046, 3406.8984)(702.20844, 1616.738) 7 700.1973 700.1973@5.832817 + 906.3208@5.834587 5.834587 (907.32776, 2030.2374)(908.3311, 573.9) 8 906.3208 906.3208@5.834587 + 610.1003@5.8334045 5.8334045 (611.10693, 2697.92)(612.1102, 1140.6217) 10 610.1003 610.1003@5.8334045 + C34 H18 O3 5.8332105 [ C34 H18 O3, mfg=75.57, overall=75.57 ] (475.1323, 3706.821)(476.13586, 1432.8082) 11 474.1247 C34 H18 O3 + 1463.7335@5.843046 5.843046 (1464.7397, 1241.88) 2 1463.7335 1463.7335@5.843046 + 1449.716@5.8367643 5.8367643 (1450.7229, 2908.056)(1451.7266, 816.0417) 7 1449.716 1449.716@5.8367643 + 362.9967@5.837032 5.837032 (364.004, 968.12) 1 362.9967 362.9967@5.837032 + 777.3558@5.8357024 5.8357024 (778.3614, 1749.2418) 6 777.3558 777.3558@5.8357024 + 877.5721@5.8380275 5.8380275 (878.5794, 29820.19)(879.5845, 9248.48)(880.5831, 3054.26) 1 877.5721 877.5721@5.8380275 + C26 H12 O25 5.8332634 [ C26 H12 O25, mfg=86.57, overall=86.57 ] (724.97266, 2304.8752)(725.9772, 746.715)(726.9907, 274.1) 8 723.9644 C26 H12 O25 + 483.7703@5.8380275 5.8380275 (484.7776, 5985.03) 1 483.7703 483.7703@5.8380275 + 1008.3014@5.8372636 5.8372636 (1009.30914, 2031.3926) 4 1008.3014 1008.3014@5.8372636 + 736.3536@5.840416 5.840416 (737.36066, 2542.6401)(738.3622, 750.7051) 10 736.3536 736.3536@5.840416 + 1415.7214@5.838298 5.838298 (1416.73, 1544.1599) 4 1415.7214 1415.7214@5.838298 + 885.8416@5.837131 5.837131 (886.84814, 1644.7301) 4 885.8416 885.8416@5.837131 + 850.5502@5.930239 5.930239 (851.5644, 7568.353)(852.56, 6330.4)(853.5661, 1689.95) 3 850.5502 850.5502@5.930239 + 765.4176@5.86392 5.86392 (766.4249, 1027.01) 1 765.4176 765.4176@5.86392 + 909.5569@5.838589 5.838589 (910.56146, 2707.1733)(911.5669, 2010.1533)(912.5617, 1073.658) 12 909.5569 909.5569@5.838589 + 782.0617@5.846421 5.846421 (783.069, 10305.425)(784.0726, 2088.8901) 4 782.0617 782.0617@5.846421 + 879.5699@5.8659115 5.8659115 (880.5771, 2878.72) 1 879.5699 879.5699@5.8659115 + 896.546@5.8634615 5.8634615 (897.55585, 2204.67)(898.5585, 1502.4524)(899.5669, 1003.94995)(919.5353, 2430.16)(920.5471, 2338.27) 4 896.546 896.546@5.8634615 + 795.0693@5.957948 5.957948 (796.07666, 3088.126)(797.07874, 1287.6715) 10 795.0693 795.0693@5.957948 + 842.0714@5.832949 5.832949 (843.0778, 5645.25)(844.084, 3220.4531)(845.0692, 1303.61) 3 842.0714 842.0714@5.832949 + 808.0768@5.93068 5.93068 (809.0842, 4865.422)(810.0918, 2423.9453)(811.0901, 1371.62) 9 808.0768 808.0768@5.93068 + 255.9338@5.885828 5.885828 (256.9411, 2185.75) 1 255.9338 255.9338@5.885828 + 461.8542@5.9436984 5.9436984 (462.86047, 2488.0635) 3 461.8542 461.8542@5.9436984 + 343.8513@5.912715 5.912715 (344.8586, 1613.9) 1 343.8513 343.8513@5.912715 + 577.7633@5.916439 5.916439 (578.77075, 2168.2837) 8 577.7633 577.7633@5.916439 + C8 H Cl S5 5.917138 [ C8 H Cl S5, mfg=43.94, overall=43.94 ] (292.84534, 3080.0122) 18 291.838 C8 H Cl S5 + 897.6314@5.916211 5.916211 (898.6409, 1615.33)(899.6427, 544.23)(900.6391, 897.06) 2 897.6314 897.6314@5.916211 + 412.0769@5.9565296 5.9565296 (413.0842, 5765.25)(414.0876, 1585.53) 1 412.0769 412.0769@5.9565296 + 669.3421@5.9477744 5.9477744 (670.34735, 2865.479)(671.34985, 1316.3046)(672.34875, 957.174) 13 669.3421 669.3421@5.9477744 + 148.0525@5.9621615 5.9621615 (149.05975, 4973.705)(150.0626, 901.25)(131.04916, 2610.4932) 4 148.0525 148.0525@5.9621615 + 480.0644@5.9605126 5.9605126 (481.0716, 2549.24)(482.0754, 783.54) 1 480.0644 480.0644@5.9605126 + 130.0418@5.956169 5.956169 (131.04933, 3262.3835)(148.07611, 972.47003) 6 130.0418 130.0418@5.956169 + 605.1585@5.95961 5.95961 (606.1656, 4188.9326)(607.1682, 1414.5499)(608.1672, 1058.54) 4 605.1585 605.1585@5.95961 + 889.5481@5.9590206 5.9590206 (890.5502, 3588.28)(891.5482, 2214.836)(892.54407, 8730.54)(907.5763, 688.79) 5 889.5481 889.5481@5.9590206 + 703.4724@5.949732 5.949732 (704.48254, 2289.165)(705.48676, 1125.1599)(706.47784, 821.05505)(726.4616, 1506.2968)(727.4677, 983.2666) 4 703.4724 703.4724@5.949732 + C11 H5 N4 O 5.9649596 [ C11 H5 N4 O, mfg=85.35, overall=42.67 ] (419.10446, 3580.69)(420.1089, 1014.2033)(210.05336, 14597.245)(211.05458, 1668.6879)(212.06021, 919.2714) 19 209.0456 C11 H5 N4 O + 611.1785@5.960577 5.960577 (612.18585, 4791.922)(613.18866, 1098.5779)(614.1865, 1009.23) 6 611.1785 611.1785@5.960577 + 622.0592@5.9635 5.9635 (623.0664, 1257.42) 1 622.0592 622.0592@5.9635 + 759.5776@5.9922824 5.9922824 (760.5847, 68285.19)(761.58813, 31721.678)(762.5918, 8718.232)(763.5958, 2063.2524)(764.59534, 388.625)(782.5664, 26536.115) 4 759.5776 759.5776@5.9922824 + 939.4993@5.939958 5.939958 (940.50525, 1625.6942)(941.50836, 1036.9814)(942.5188, 1490.9125)(943.5315, 1323.09)(944.5401, 2470.15) 7 939.4993 939.4993@5.939958 + C4 H15 N4 O2 S2 5.964114 [ C4 H15 N4 O2 S2, mfg=64.92, overall=64.92 ] (216.07033, 21455.518)(217.0737, 1095.0084) 32 215.063 C4 H15 N4 O2 S2 + 785.5932@5.9714127 5.9714127 (786.6007, 118301.516)(787.604, 58983.527)(788.6135, 52679.477)(789.6183, 21616.074)(790.6211, 8378.64)(791.6225, 2046.5042)(792.6192, 992.85)(803.6279, 1005.45496)(804.6179, 664.92)(808.5817, 28982.4)(809.58527, 14458.7295)(810.5942, 13032.726)(811.59937, 4304.547)(812.6124, 3348.24) 9 785.5932 785.5932@5.9714127 + 1013.6269@5.9566226 5.9566226 (1014.63, 1398.4325)(1015.62854, 966.00006)(1036.6201, 925.245)(1037.616, 932.4)(1038.6193, 577.98) 4 1013.6269 1013.6269@5.9566226 + 733.5614@5.960067 5.960067 (734.5689, 9877.764)(735.5724, 4188.5713)(736.5744, 1089.197)(737.5749, 273.87)(756.5499, 2696.269)(757.55316, 1474.145)(758.5689, 21114.81) 10 733.5614 733.5614@5.960067 + C38 H68 Cl N4 O7 5.9532104 [ C38 H68 Cl N4 O7, mfg=89.28, overall=89.28 ] (728.4831, 3226.8047)(729.4871, 1578.943)(730.4868, 1692.6907)(731.49677, 643.6667)(750.4677, 1525.71)(751.4704, 1126.9939)(752.4562, 1471.832)(753.4541, 860.74)(754.4356, 1660.49) 17 727.4774 C38 H68 Cl N4 O7 + 396.1031@5.9675965 5.9675965 (397.11044, 3490.8103)(398.1147, 1223.3401) 3 396.1031 396.1031@5.9675965 + 987.4764@5.95985 5.95985 (988.4885, 2053.0447)(989.49115, 1328.9869)(990.49664, 1298.395)(991.50586, 1115.7267)(992.5159, 667.50665) 13 987.4764 987.4764@5.95985 + 812.5371@5.8738227 5.8738227 (813.54596, 12756.891)(814.5522, 4809.7935)(815.55615, 2230.2651) 3 812.5371 812.5371@5.8738227 + 799.6082@5.9577465 5.9577465 (800.6152, 5392.0835)(801.61884, 2102.4568)(802.61694, 1070.8317)(817.6367, 990.4)(822.5955, 2281.564)(823.59717, 1318.2279) 6 799.6082 799.6082@5.9577465 + 753.4391@5.964715 5.964715 (754.44257, 1764.864)(755.4459, 893.058)(756.427, 1647.11)(757.4352, 553.76)(758.4309, 1337.79) 5 753.4391 753.4391@5.964715 + 901.5242@5.9624815 5.9624815 (902.5358, 2676.828)(903.53564, 1426.5701)(904.5525, 1740.985)(905.557, 793.66)(906.5683, 757.64)(924.5147, 2669.3132)(925.5176, 1527.9767)(926.52515, 2031.7334)(927.5225, 892.14)(928.5396, 1647.63) 5 901.5242 901.5242@5.9624815 + Saphenamycin 5.9658666 C12311 Saphenamycin [ C23 H18 N2 O5, mfg=71.65, db=71.45, overall=71.55, CAS ID=83198-27-0, KEGG ID=C12311, METLIN ID=69428 ] 83198-27-0 (403.1308, 4205.6895)(404.13412, 1208.66) 19 402.1233 Saphenamycin + 810.5918@5.9356055 5.9356055 (811.59985, 11303.502)(812.6123, 4328.5864)(813.61633, 2526.9648) 4 810.5918 810.5918@5.9356055 + 774.5956@5.9374886 5.9374886 (775.6011, 1334.2524)(776.585, 659.465) 4 774.5956 774.5956@5.9374886 + 277.0303@5.969598 5.969598 (278.0376, 1846.2561) 5 277.0303 277.0303@5.969598 + 836.6081@5.9661503 5.9661503 (837.6134, 1551.5538)(838.6247, 913.1714)(839.63135, 746.39667) 8 836.6081 836.6081@5.9661503 + MET-enkephalin 5.9658327 C11684 MET-enkephalin [ C27 H35 N5 O7 S, db=51.14, overall=25.57, CAS ID=58569-55-4, KEGG ID=C11684, METLIN ID=69152 ] 58569-55-4 (596.21185, 5142.6616)(597.2152, 1000.9882) 13 595.2045 MET-enkephalin + 567.2028@5.9694743 5.9694743 (568.2096, 1821.03)(590.1921, 7520.3)(591.1946, 2257.27) 1 567.2028 567.2028@5.9694743 + 846.6626@5.959955 5.959955 (847.6701, 1261.128)(848.6581, 904.2775)(849.658, 693.79) 5 846.6626 846.6626@5.959955 + 1022.6657@5.97047 5.97047 (1023.6706, 1113.31)(1045.6594, 800.14) 1 1022.6657 1022.6657@5.97047 + 470.111@5.970247 5.970247 (471.1185, 2754.8467)(472.119, 879.84) 15 470.111 470.111@5.970247 + 476.1324@5.9684153 5.9684153 (477.13882, 2638.5657) 14 476.1324 476.1324@5.9684153 + 806.5501@5.9731035 5.9731035 (807.55786, 16588.32)(808.577, 13826.78)(809.5832, 6942.66) 2 806.5501 806.5501@5.9731035 + Arg Arg Arg 5.9671884 Arg Arg Arg [ C18 H38 N12 O4, db=47.53, overall=47.53, METLIN ID=22253 ] (973.63074, 1929.0863)(974.6346, 1155.5485)(975.6465, 3006.3398)(976.6494, 1727.355) 21 972.6239 Arg Arg Arg + 966.6037@5.9648385 5.9648385 (967.6099, 1251.9492)(968.6122, 865.49)(969.6268, 2101.8484)(970.6299, 1291.824)(971.6333, 693.24664) 13 966.6037 966.6037@5.9648385 + 464.0904@5.9685097 5.9685097 (465.09753, 1699.915)(466.1009, 724.88) 2 464.0904 464.0904@5.9685097 + 496.9664@5.975449 5.975449 (497.9737, 1217.84) 1 496.9664 496.9664@5.975449 + N?-Acetyl-L-arginine 5.9756985 N?-Acetyl-L-arginine [ C8 H16 N4 O3, mfg=81.65, db=81.65, overall=81.65, CAS ID=155-84-0, HMP ID=HMDB04620, METLIN ID=58241 ] 155-84-0 (455.2317, 1077.5)(217.12944, 10310.736)(218.13414, 1590.9071)(219.1339, 708.27)(239.11177, 3813.7356)(240.11568, 1024.47) 17 216.1223 N?-Acetyl-L-arginine HMDB04620 + 876.5657@5.868854 5.868854 (877.57306, 43360.133)(878.57043, 25818.645)(879.57025, 12630.683)(880.5532, 3649.44) 4 876.5657 876.5657@5.868854 + 345.0177@5.9775453 5.9775453 (346.02472, 2317.52)(347.0276, 1301.83) 11 345.0177 345.0177@5.9775453 + 480.9923@5.986402 5.986402 (481.9996, 1157.48) 1 480.9923 480.9923@5.986402 + 713.461@6.001316 6.001316 (714.46826, 1386.2616)(715.471, 909.9466) 6 713.461 713.461@6.001316 + 581.8548@5.948949 5.948949 (582.8629, 1990.03) 2 581.8548 581.8548@5.948949 + 565.8809@6.0618234 6.0618234 (566.8883, 2389.9275) 4 565.8809 565.8809@6.0618234 + 633.8685@6.030413 6.030413 (634.87555, 1427.3867) 3 633.8685 633.8685@6.030413 + 497.8936@6.061623 6.061623 (498.90054, 2643.774) 7 497.8936 497.8936@6.061623 + 649.8421@6.037183 6.037183 (650.8493, 973.96) 1 649.8421 649.8421@6.037183 + 623.3784@6.054412 6.054412 (624.38635, 2836.75)(625.3901, 1320.39)(626.3921, 614.3) 2 623.3784 623.3784@6.054412 + 57.0576@6.0998263 6.0998263 (58.06486, 8182.4316) 9 57.0576 57.0576@6.0998263 + 685.175@6.0927663 6.0927663 (686.1819, 2068.3267) 3 685.175 685.175@6.0927663 + 702.2752@6.1019006 6.1019006 (703.2825, 5113.82)(704.2852, 1616.49) 1 702.2752 702.2752@6.1019006 + 617.1864@6.0756702 6.0756702 (618.1956, 4072.6282)(619.2009, 1109.085) 6 617.1864 617.1864@6.0756702 + 549.1983@6.0974092 6.0974092 (550.20557, 5639.8623)(551.2079, 1669.25) 4 549.1983 549.1983@6.0974092 + 634.2887@6.1048875 6.1048875 (635.296, 6579.71)(636.2993, 1745.85) 1 634.2887 634.2887@6.1048875 + 715.4415@6.089696 6.089696 (716.44855, 7168.5537)(717.452, 2914.1987)(718.46045, 2201.6116)(698.4366, 2175.81)(738.43134, 5687.79)(739.43506, 2471.6924)(740.4284, 2463.47)(741.4302, 1231.89) 7 715.4415 715.4415@6.089696 + 481.2113@6.100367 6.100367 (482.2186, 8448.474)(483.22226, 1812.0033) 3 481.2113 481.2113@6.100367 + 807.575@6.10647 6.10647 (808.5823, 12021.371)(809.5859, 6078.7104)(810.59607, 5937.9355)(811.60046, 2268.3574)(812.6027, 950.435) 11 807.575 807.575@6.10647 + 733.5613@6.106141 6.106141 (734.56885, 5882.855)(735.57263, 2446.165)(736.5743, 1160.42)(756.5503, 4159.59)(757.55457, 2389.255)(758.5686, 8598.5)(759.57227, 4036.1) 2 733.5613 733.5613@6.106141 + 810.5937@6.1088696 6.1088696 (811.601, 5572.54)(812.6116, 2415.48)(813.6114, 648.76) 1 810.5937 810.5937@6.1088696 + 864.5484@6.1556263 6.1556263 (865.56055, 1654.435)(882.5799, 2051.48)(883.5861, 1304.45)(884.5934, 1208.65)(887.546, 1750.35)(888.5584, 1510.4)(889.561, 1268.43) 2 864.5484 864.5484@6.1556263 + 592.3269@6.1247997 6.1247997 (593.3342, 2030.16) 1 592.3269 592.3269@6.1247997 + 126.1156@6.1310167 6.1310167 (127.1228, 10940.4)(128.124, 1908.21) 2 126.1156 126.1156@6.1310167 + 875.541@6.1769814 6.1769814 (876.559, 5824.51)(877.56085, 3041.9734)(878.5618, 5132.185)(879.5624, 2493.51)(880.5644, 3049.215)(881.566, 2195.85)(882.5794, 3439.68) 3 875.541 875.541@6.1769814 + 982.6007@6.1736465 6.1736465 (983.608, 2536.4878)(984.611, 1477.9244)(985.6204, 3572.06)(986.6241, 2253.29)(987.627, 1086.26) 9 982.6007 982.6007@6.1736465 + 958.5994@6.170596 6.170596 (959.6066, 2951.49)(960.6089, 1866.43) 1 958.5994 958.5994@6.170596 + 985.6168@6.174157 6.174157 (986.62494, 3742.737)(987.6309, 1530.7513)(988.6416, 840.65) 7 985.6168 985.6168@6.174157 + 616.2253@6.1735826 6.1735826 (617.2326, 2441.57)(618.2385, 1082.55) 1 616.2253 616.2253@6.1735826 + 581.1696@6.1735826 6.1735826 (582.1769, 5624.28)(583.1795, 1636.91) 1 581.1696 581.1696@6.1735826 + 1038.6605@6.174578 6.174578 (1039.6677, 1127.39)(1040.6671, 703.42) 1 1038.6605 1038.6605@6.174578 + C21 H3 N3 O4 6.173763 [ C21 H3 N3 O4, mfg=81.58, overall=81.58 ] (362.0196, 4452.7417)(363.02158, 916.9733) 21 361.0123 C21 H3 N3 O4 + 481.2119@6.1748524 6.1748524 (482.21878, 5747.77)(483.22348, 1310.2633)(484.2283, 1001.62) 3 481.2119 481.2119@6.1748524 + 396.1222@6.1751494 6.1751494 (397.12918, 3481.6497)(398.132, 918.63666)(379.1216, 5930.767)(380.12485, 1170.65) 6 396.1222 396.1222@6.1751494 + 122.0377@6.1757116 6.1757116 (123.04481, 6225.804)(124.044556, 1238.435) 7 122.0377 122.0377@6.1757116 + 243.0482@6.1773314 6.1773314 (244.05348, 2052.2153)(226.04501, 9207.013)(227.04935, 1416.5371) 15 243.0482 243.0482@6.1773314 + 146.0366@6.1881204 6.1881204 (147.0439, 3961.8167) 3 146.0366 146.0366@6.1881204 + 615.0994@6.1805515 6.1805515 (616.1067, 1494.34) 1 615.0994 615.0994@6.1805515 + 799.6078@6.174179 6.174179 (800.6153, 2012.99)(801.61884, 1014.58496)(802.6238, 886.645)(822.5962, 1687.02)(823.60065, 920.175) 2 799.6078 799.6078@6.174179 + 549.1476@6.179301 6.179301 (550.1543, 5439.1963)(551.1571, 1427.1279)(552.1582, 746.45) 5 549.1476 549.1476@6.179301 + 760.5806@6.177184 6.177184 (761.5879, 6339.0703)(762.59265, 2312.875)(763.59705, 1412.3049)(764.6006, 272.91)(783.5697, 7272.81)(784.57776, 2433.54)(785.5838, 964.63) 2 760.5806 760.5806@6.177184 + 5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside 6.180263 C04695 5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside [ C22 H29 N O12, mfg=74.96, db=75.07, overall=75.01, KEGG ID=C04695, METLIN ID=66241 ] (500.1748, 5593.2563)(501.17807, 1165.32) 6 499.1676 5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside + 414.078@6.188581 6.188581 (415.08554, 4349.4263)(416.08856, 1024.9)(397.0776, 12319.46)(398.0806, 1588.73) 5 414.078 414.078@6.188581 + 346.0912@6.1796193 6.1796193 (347.0988, 7418.2256)(348.10165, 1469.7032) 4 346.0912 346.0912@6.1796193 + 464.0583@6.1966696 6.1966696 (465.0654, 6337.015)(466.06845, 1179.8201) 2 464.0583 464.0583@6.1966696 + 901.5306@6.2562914 6.2562914 (902.53766, 3977.68)(903.54016, 2323.935)(904.5532, 1363.92)(924.5179, 2285.0)(925.5232, 1068.97)(926.5314, 2006.47)(927.5336, 808.42)(928.5497, 1147.63) 2 901.5306 901.5306@6.2562914 + 729.4453@6.185598 6.185598 (730.4538, 2641.98)(731.4544, 1089.08)(732.4599, 1727.2201)(752.432, 1917.5)(753.4312, 947.41)(754.4403, 2265.73)(755.4272, 564.13) 3 729.4453 729.4453@6.185598 + 896.5489@6.20273 6.20273 (897.5572, 2297.89)(898.5636, 1626.3049)(919.53705, 4228.57)(920.5489, 5077.92)(921.5542, 2397.34) 3 896.5489 896.5489@6.20273 + 939.5096@6.248379 6.248379 (940.51636, 2333.1165)(941.5173, 1518.3551)(942.5303, 2118.1975)(943.5342, 941.93)(944.5478, 1393.86) 6 939.5096 939.5096@6.248379 + 926.5752@6.1849723 6.1849723 (927.5817, 1820.5817)(928.57794, 1117.4581) 6 926.5752 926.5752@6.1849723 + 994.5825@6.193703 6.193703 (995.58575, 1041.1067)(996.59076, 905.83)(997.6046, 877.31494) 3 994.5825 994.5825@6.193703 + 863.5502@6.1964803 6.1964803 (864.5556, 2502.92)(865.5553, 1640.15)(886.541, 3579.04)(887.5446, 1821.34)(888.5566, 1657.78) 1 863.5502 863.5502@6.1964803 + 208.9892@6.1860404 6.1860404 (209.99628, 2221.68) 3 208.9892 208.9892@6.1860404 + 831.5635@6.1871195 6.1871195 (832.57275, 1937.705)(833.57526, 1200.59)(854.5541, 3217.235)(855.5548, 1958.86)(856.568, 3008.57) 2 831.5635 831.5635@6.1871195 + 890.5644@6.2034492 6.2034492 (891.5717, 1404.45) 1 890.5644 890.5644@6.2034492 + 933.5219@6.1961403 6.1961403 (934.52765, 2818.085)(935.5317, 1752.2965)(936.54596, 2353.1233)(937.5497, 1817.57)(938.5495, 1072.61)(956.50964, 2335.1575)(957.5126, 1354.745)(958.5223, 2020.3202)(959.5283, 767.06)(960.5441, 1445.51) 4 933.5219 933.5219@6.1961403 + 288.1797@6.208267 6.208267 (289.1863, 2423.6433)(290.19052, 1000.17) 3 288.1797 288.1797@6.208267 + 932.5878@6.2113924 6.2113924 (933.59235, 1544.185)(934.5911, 1197.48) 2 932.5878 932.5878@6.2113924 + 405.1246@6.2104177 6.2104177 (406.1319, 5124.69)(407.137, 1024.63) 1 405.1246 405.1246@6.2104177 + 210.0636@6.2104177 6.2104177 (211.0709, 2380.51) 1 210.0636 210.0636@6.2104177 + 958.6003@6.211508 6.211508 (959.6061, 1982.2676)(960.61096, 1269.0076) 4 958.6003 958.6003@6.211508 + 795.5198@6.1927915 6.1927915 (796.52374, 1974.5034)(797.531, 1075.29)(798.5415, 4053.7)(799.5459, 2507.89)(800.5512, 1206.67) 3 795.5198 795.5198@6.1927915 + 364.098@6.207647 6.207647 (365.10492, 4176.792)(366.112, 1650.37) 5 364.098 364.098@6.207647 + 380.0716@6.213404 6.213404 (381.0789, 3913.64)(382.083, 981.43) 1 380.0716 380.0716@6.213404 + 359.1426@6.2138815 6.2138815 (360.14975, 1836.28)(361.1525, 896.14)(377.179, 1407.49) 2 359.1426 359.1426@6.2138815 + C21 H14 O S 6.208473 [ C21 H14 O S, mfg=59.95, overall=59.95 ] (315.08276, 1837.0637)(316.0899, 577.23) 11 314.0763 C21 H14 O S + 196.0459@6.2101665 6.2101665 (197.05333, 2416.4788)(198.0629, 839.8) 15 196.0459 196.0459@6.2101665 + 168.0902@6.2114105 6.2114105 (169.09734, 6916.4966) 3 168.0902 168.0902@6.2114105 + 709.4316@6.221595 6.221595 (710.4403, 3462.3481)(711.4417, 1449.592)(712.418, 2439.8567)(713.4214, 1400.09) 5 709.4316 709.4316@6.221595 + C8 H8 N O2 S 6.213737 [ C8 H8 N O2 S, mfg=47.60, overall=47.60 ] (365.0625, 910.26)(183.03773, 2292.994)(184.0485, 772.475)(205.0205, 624.1) 15 182.0305 C8 H8 N O2 S + 261.1576@6.254775 6.254775 (262.16486, 2850.3157)(263.16754, 846.64624) 9 261.1576 261.1576@6.254775 + 165.0999@6.2802677 6.2802677 (166.10706, 9510.624)(167.11316, 937.0733) 3 165.0999 165.0999@6.2802677 + C34 H44 Cl N6 6.300543 [ C34 H44 Cl N6, mfg=58.69, overall=58.69 ] (572.334, 2936.3237)(573.34705, 1149.432)(574.349, 1325.59) 8 571.3268 C34 H44 Cl N6 + 216.1111@6.300394 6.300394 (217.11795, 9458.075)(218.1201, 1554.9)(239.10059, 6646.495)(240.10295, 1430.485) 2 216.1111 216.1111@6.300394 + 171.0532@6.3054743 6.3054743 (172.0607, 2242.325)(189.0871, 18757.54)(190.0996, 2159.57) 2 171.0532 171.0532@6.3054743 + 210.0619@6.3106155 6.3106155 (211.06903, 17931.39)(212.07567, 2216.5833)(213.0723, 907.24)(233.0511, 2840.185) 4 210.0619 210.0619@6.3106155 + 639.3753@6.323062 6.323062 (640.38324, 4045.9753)(641.38635, 1609.3469)(642.38654, 1017.8175)(622.373, 4752.8)(623.3794, 1519.15) 13 639.3753 639.3753@6.323062 + 715.4407@6.2460256 6.2460256 (716.44745, 8487.76)(717.45135, 3827.7476)(718.4523, 5476.42)(719.4588, 1994.48)(720.4773, 1313.735)(733.474, 665.2)(738.4322, 4240.783)(739.43756, 1997.7767)(740.4164, 6027.975)(741.4252, 2460.23)(742.41956, 397.095) 4 715.4407 715.4407@6.2460256 + 921.5543@6.318413 6.318413 (922.55963, 2330.0032)(923.561, 1347.11)(924.577, 1843.4299)(925.5789, 1301.68) 3 921.5543 921.5543@6.318413 + 717.2857@6.3169327 6.3169327 (718.2929, 2639.47)(719.297, 1047.84) 1 717.2857 717.2857@6.3169327 + 191.0533@6.28557 6.28557 (383.11353, 1193.9867)(192.06244, 1709.6525) 4 191.0533 191.0533@6.28557 + 729.4303@6.259345 6.259345 (730.4393, 4034.0225)(731.4325, 1705.315)(732.4418, 3766.54)(733.4458, 1473.9099)(752.42505, 1728.4)(753.4207, 1007.4) 4 729.4303 729.4303@6.259345 + 837.5415@6.3207345 6.3207345 (838.54736, 1510.7067)(839.55133, 1057.24)(840.55865, 1357.7134)(841.5532, 620.48) 3 837.5415 837.5415@6.3207345 + 857.5049@6.318923 6.318923 (858.5121, 1703.94)(859.5149, 757.67)(860.5286, 3823.25)(861.533, 2155.6)(862.5436, 5154.8) 1 857.5049 857.5049@6.318923 + 934.5252@6.319919 6.319919 (935.5325, 1751.08)(936.5506, 1539.99)(937.5553, 1409.97) 1 934.5252 934.5252@6.319919 + 920.6204@6.3145103 6.3145103 (921.6264, 1683.8102)(922.6279, 979.65594)(923.63525, 980.12335) 7 920.6204 920.6204@6.3145103 + 739.4401@6.319919 6.319919 (740.4474, 1902.55)(741.4572, 1110.22)(742.4553, 1674.1) 1 739.4401 739.4401@6.319919 + 862.5401@6.3309574 6.3309574 (863.54614, 1868.925)(864.5523, 1884.0)(865.5601, 1757.23) 2 862.5401 862.5401@6.3309574 + 709.4119@6.33995 6.33995 (710.4138, 2173.495)(711.4157, 686.495)(712.4163, 2973.52)(713.4181, 848.86)(714.4308, 4204.21) 2 709.4119 709.4119@6.33995 + 887.5509@6.3128676 6.3128676 (888.55536, 2093.925)(889.562, 1671.995)(890.5736, 2987.92)(891.5763, 1809.76)(892.582, 1566.35)(870.5478, 1850.18)(871.5526, 1135.36)(872.5607, 765.53) 2 887.5509 887.5509@6.3128676 + 439.1641@6.324314 6.324314 (440.1714, 5000.0737)(441.17377, 1423.385) 3 439.1641 439.1641@6.324314 + 902.5351@6.32191 6.32191 (903.5424, 2501.75) 1 902.5351 902.5351@6.32191 + 949.5189@6.2700233 6.2700233 (950.5259, 2141.8367)(951.5275, 1140.7401)(952.54236, 1161.04)(932.5144, 1792.58)(933.5182, 1018.74)(934.5293, 2467.27)(972.5099, 1495.465)(973.5132, 1062.45)(974.51843, 1356.3151) 3 949.5189 949.5189@6.2700233 + 877.5385@6.32191 6.32191 (878.5457, 5742.38)(879.5485, 3239.2)(880.5592, 4459.47)(881.5614, 2842.36)(882.5743, 3142.69) 1 877.5385 877.5385@6.32191 + 811.6059@6.3180614 6.3180614 (812.61334, 3765.7124)(813.61725, 1967.0475)(814.631, 4809.3804)(815.635, 2008.375)(816.63513, 1216.7949) 4 811.6059 811.6059@6.3180614 + 717.5671@6.3194113 6.3194113 (718.5731, 1448.4299)(719.5752, 563.015)(720.5586, 862.275) 2 717.5671 717.5671@6.3194113 + 760.5809@6.3185296 6.3185296 (761.58813, 34580.316)(762.59326, 10931.144)(763.59863, 2951.1465)(764.6011, 732.7)(783.57007, 6770.0396)(784.58026, 3806.41)(785.5864, 1520.3633) 3 760.5809 760.5809@6.3185296 + C29 H59 N3 O5 S3 6.322463 [ C29 H59 N3 O5 S3, mfg=78.93, overall=78.93 ] (626.36676, 4829.527)(627.3698, 1697.8131)(628.3787, 1319.2599)(648.34766, 1609.5625)(649.3521, 1039.82) 15 625.3594 C29 H59 N3 O5 S3 + C16 H5 O2 6.3267446 [ C16 H5 O2, mfg=52.90, overall=52.90 ] (230.0379, 2451.6348)(231.042, 746.9) 12 229.0307 C16 H5 O2 + 941.5255@6.322905 6.322905 (942.5328, 1643.64)(943.5401, 896.74)(944.548, 1320.32) 1 941.5255 941.5255@6.322905 + 646.2121@6.3221364 6.3221364 (647.22003, 2127.7134)(648.2267, 897.68) 3 646.2121 646.2121@6.3221364 + 747.5806@6.3067017 6.3067017 (748.5909, 1869.3633)(749.5872, 1075.7067)(750.589, 456.27997) 3 747.5806 747.5806@6.3067017 + 578.2251@6.3135066 6.3135066 (579.2324, 2692.7932)(580.239, 886.45996) 3 578.2251 578.2251@6.3135066 + PE(22:1(13Z)/18:1(11Z)) 6.3137946 C00350 PE(22:1(13Z)/18:1(11Z)) [ C45 H86 N O8 P, db=77.99, overall=77.99, KEGG ID=C00350, HMP ID=HMDB09520, METLIN ID=60909 ] (800.6159, 3884.3171)(801.61993, 1999.3883)(802.62286, 1203.874)(817.64044, 925.95996)(822.59705, 1415.2574)(823.5985, 801.00244) 6 799.6082 PE(22:1(13Z)/18:1(11Z)) HMDB09520 + 898.5706@6.3244815 6.3244815 (899.577, 1628.005)(900.5869, 1408.95)(901.5942, 574.9) 2 898.5706 898.5706@6.3244815 + 945.555@6.3171635 6.3171635 (946.5622, 1591.54)(947.5641, 1121.0549)(948.5729, 1106.66) 2 945.555 945.555@6.3171635 + 771.4665@6.3946567 6.3946567 (772.4733, 2435.5266)(773.47296, 965.84)(774.46313, 1695.615) 3 771.4665 771.4665@6.3946567 + 814.6274@6.3239 6.3239 (815.6346, 4671.8)(816.6371, 2336.93)(817.6408, 1209.54) 1 814.6274 814.6274@6.3239 + 965.5164@6.3239 6.3239 (966.5235, 1998.56)(967.5236, 1182.05)(968.5361, 1554.46)(948.5134, 1030.93) 1 965.5164 965.5164@6.3239 + 897.4986@6.3239 6.3239 (898.5059, 1163.27)(899.5131, 708.55)(900.5227, 3420.51)(901.5253, 1317.12)(902.538, 4284.26) 1 897.4986 897.4986@6.3239 + 743.583@6.3183227 6.3183227 (744.5895, 2943.7876)(745.5929, 1477.6199)(746.60406, 3280.555)(747.6076, 1395.7266)(748.5907, 1192.115)(766.569, 988.125) 4 743.583 743.583@6.3183227 + 871.556@6.324896 6.324896 (872.5632, 4119.55)(873.5657, 2410.91)(874.5768, 3521.33) 1 871.556 871.556@6.324896 + 732.4408@6.3273277 6.3273277 (733.4494, 4190.57)(734.4618, 3886.1948)(735.4663, 1841.7949)(750.472, 1608.11)(751.4853, 752.32)(752.4899, 963.27) 2 732.4408 732.4408@6.3273277 + 813.5439@6.325384 6.325384 (814.553, 1746.435)(815.5543, 909.525)(816.5604, 1493.635)(817.5608, 660.45) 2 813.5439 813.5439@6.325384 + 807.4581@6.3309603 6.3309603 (808.4678, 1293.1799)(809.4707, 868.52997)(810.4654, 980.34) 5 807.4581 807.4581@6.3309603 + 895.5473@6.292438 6.292438 (896.5541, 3070.9497)(897.55756, 2350.4834)(898.57324, 2403.1199)(899.5773, 1425.58)(900.5889, 2375.25)(878.5469, 1517.59)(879.5516, 811.95)(880.5539, 826.25)(918.5361, 1514.5449)(919.5388, 1106.45)(920.5531, 1310.41) 4 895.5473 895.5473@6.292438 + 719.4432@6.34911 6.34911 (720.4473, 2844.7869)(721.45087, 1375.21)(722.4369, 3275.14)(723.4393, 1009.06)(742.4338, 588.64) 3 719.4432 719.4432@6.34911 + 937.5476@6.320152 6.320152 (938.5536, 1270.8501)(939.56824, 857.745)(960.5416, 1050.36)(961.5501, 724.82)(962.5586, 1172.64) 2 937.5476 937.5476@6.320152 + 621.4002@6.3336177 6.3336177 (622.4074, 19371.838)(623.41064, 7088.5894)(624.40985, 1871.4683)(625.41504, 511.54)(644.38934, 5722.122)(645.3942, 2216.312) 17 621.4002 621.4002@6.3336177 + 438.1345@6.3328595 6.3328595 (439.1417, 6743.0) 1 438.1345 438.1345@6.3328595 + 517.3156@6.348713 6.348713 (518.3235, 4562.127)(519.32684, 1808.7357)(520.33813, 3717.605)(540.30725, 1949.8125)(541.3114, 1543.99) 14 517.3156 517.3156@6.348713 + 769.444@6.3545074 6.3545074 (770.4492, 2125.0898)(771.4585, 1181.915)(772.46387, 2063.935)(773.4778, 1088.56)(774.4781, 968.8)(752.4373, 912.45) 4 769.444 769.444@6.3545074 + 1039.7076@6.3358455 6.3358455 (1040.7148, 4201.52)(1041.7172, 2648.52)(1042.7211, 1059.31) 1 1039.7076 1039.7076@6.3358455 + 840.5482@6.3358455 6.3358455 (841.5511, 858.05)(858.5823, 10933.38)(859.5864, 5571.65)(860.5973, 4551.55) 1 840.5482 840.5482@6.3358455 + 629.3682@6.3361955 6.3361955 (630.37616, 1420.4067)(631.3855, 697.58997) 3 629.3682 629.3682@6.3361955 + 220.0851@6.3369775 6.3369775 (221.09244, 3566.11)(222.09595, 774.31665) 5 220.0851 220.0851@6.3369775 + 767.5784@6.2866187 6.2866187 (768.58673, 1088.8265)(769.586, 649.87)(770.5881, 669.65) 3 767.5784 767.5784@6.2866187 + 685.3946@6.375224 6.375224 (686.4029, 4060.698)(687.40576, 1536.3538)(688.41766, 5769.203)(689.42065, 2630.4048)(690.4309, 2790.47)(668.3948, 10274.31)(669.3963, 4028.83) 9 685.3946 685.3946@6.375224 + 687.4095@6.339561 6.339561 (688.41766, 7733.08)(689.42206, 3138.1116)(690.4332, 14364.225)(691.437, 9659.64)(692.4491, 20847.81)(693.4527, 8672.6)(694.4646, 27187.61) 6 687.4095 687.4095@6.339561 + 641.3668@6.358799 6.358799 (642.37506, 4697.9497)(643.38043, 980.53) 3 641.3668 641.3668@6.358799 + 255.0903@6.3613076 6.3613076 (256.098, 2684.345)(257.10254, 892.3025) 6 255.0903 255.0903@6.3613076 + 526.1508@6.3627205 6.3627205 (527.1581, 7954.09)(528.1614, 1350.22) 1 526.1508 526.1508@6.3627205 + 131.0586@6.3915863 6.3915863 (132.0659, 2089.18) 1 131.0586 131.0586@6.3915863 + 282.0326@6.4035296 6.4035296 (283.0399, 2677.24) 1 282.0326 282.0326@6.4035296 + 288.1314@6.437371 6.437371 (289.1386, 3782.5) 1 288.1314 288.1314@6.437371 + 144.1262@6.4443603 6.4443603 (145.13342, 7580.2114)(146.1402, 1291.12)(127.1234, 546.73)(167.1162, 1364.13) 8 144.1262 144.1262@6.4443603 + 633.3979@6.4609923 6.4609923 (634.4066, 2661.3442)(635.4087, 1093.876) 5 633.3979 633.3979@6.4609923 + 217.1785@6.494227 6.494227 (218.18605, 3014.7913)(219.19086, 864.20996) 7 217.1785 217.1785@6.494227 + 608.3881@6.4988008 6.4988008 (609.3949, 29413.57)(610.3973, 6213.683)(611.4017, 1751.59)(612.3967, 418.3) 3 608.3881 608.3881@6.4988008 + 161.0433@6.5030584 6.5030584 (162.0506, 3112.06)(163.052, 797.43) 1 161.0433 161.0433@6.5030584 + 185.0687@6.5083466 6.5083466 (186.07616, 3481.857)(187.07832, 940.0267)(208.0589, 1134.02) 10 185.0687 185.0687@6.5083466 + 100.0523@6.507039 6.507039 (101.0601, 27473.21)(102.0645, 2584.13)(118.086, 157710.31)(119.0895, 9857.58)(120.0957, 1019.39) 1 100.0523 100.0523@6.507039 + 726.5674@6.5001736 6.5001736 (727.5739, 1791.1718)(728.5809, 1140.4818)(729.5893, 1155.3325) 12 726.5674 726.5674@6.5001736 + 135.0893@6.5364647 6.5364647 (136.09666, 6999.809)(137.10475, 1032.38)(138.09335, 1067.665) 14 135.0893 135.0893@6.5364647 + 575.3945@6.574524 6.574524 (576.40125, 2478.5298)(577.4044, 1062.15)(578.4167, 2393.37) 5 575.3945 575.3945@6.574524 + 273.1939@6.595625 6.595625 (274.20117, 4636.1904)(275.2029, 921.495)(276.1966, 791.75) 2 273.1939 273.1939@6.595625 + C32 H50 Cl N5 O2 6.588167 [ C32 H50 Cl N5 O2, mfg=67.88, overall=67.88 ] (572.3687, 9474.241)(573.3715, 3107.1787)(574.3829, 2997.2502)(575.3872, 2310.49)(576.4014, 708.29) 22 571.3616 C32 H50 Cl N5 O2 + 672.3112@6.6283383 6.6283383 (673.3204, 1241.8834)(674.3347, 975.72)(675.3007, 2414.7) 3 672.3112 672.3112@6.6283383 + 548.3658@6.6358714 6.6358714 (549.3729, 14122.718) 7 548.3658 548.3658@6.6358714 + C26 H46 Cl N5 O8 S 6.6325884 [ C26 H46 Cl N5 O8 S, mfg=69.64, overall=69.64 ] (624.28064, 2595.2053)(625.2843, 1015.9823)(626.28687, 1403.5656) 11 623.2731 C26 H46 Cl N5 O8 S + 556.3372@6.6384006 6.6384006 (557.3445, 4682.21)(558.3482, 3082.64)(559.3564, 1052.03) 1 556.3372 556.3372@6.6384006 + 583.3092@6.6916323 6.6916323 (584.31305, 6458.54)(585.32086, 1932.1333)(586.316, 5368.94)(587.32025, 2428.48) 5 583.3092 583.3092@6.6916323 + 274.0903@6.6504655 6.6504655 (275.09882, 5287.43)(276.1011, 1737.35)(297.0796, 6456.0205)(298.0827, 1427.05) 4 274.0903 274.0903@6.6504655 + 755.5424@6.6456885 6.6456885 (756.55054, 2339.4465)(757.5547, 1241.57)(758.56903, 2104.7349)(759.5716, 757.26) 3 755.5424 755.5424@6.6456885 + 578.152@6.6513367 6.6513367 (579.1593, 4645.03)(580.1628, 1491.59) 1 578.152 578.152@6.6513367 + 389.1531@6.6513367 6.6513367 (390.1605, 7762.67)(391.1635, 1612.94)(412.1423, 8467.3)(413.1494, 1991.27) 1 389.1531 389.1531@6.6513367 + 415.1302@6.6510315 6.6510315 (416.1374, 9257.45)(417.13934, 1720.895)(438.1194, 10310.061)(439.12225, 1726.875)(440.1193, 1045.03) 2 415.1302 415.1302@6.6510315 + 433.119@6.6513367 6.6513367 (434.1263, 3739.83)(435.1299, 1237.83) 1 433.119 433.119@6.6513367 + 600.3959@6.6540613 6.6540613 (601.40326, 3424.025) 2 600.3959 600.3959@6.6540613 + 719.1928@6.652332 6.652332 (720.2, 1736.93) 1 719.1928 719.1928@6.652332 + 634.947@6.6535196 6.6535196 (635.954, 2394.2913)(636.95874, 1143.9967)(637.9682, 427.82) 7 634.947 634.947@6.6535196 + 441.107@6.652779 6.652779 (442.11414, 8769.792)(443.11777, 2208.0999) 4 441.107 441.107@6.652779 + 199.1217@6.656829 6.656829 (200.12885, 4302.7803)(201.1298, 1390.66) 2 199.1217 199.1217@6.656829 + 391.1835@6.6532607 6.6532607 (392.191, 2220.7134)(393.1963, 956.89) 6 391.1835 391.1835@6.6532607 + 141.0399@6.658819 6.658819 (305.06946, 10727.4795)(306.0717, 1591.95)(142.04724, 4025.1401)(164.0291, 60094.11)(165.0327, 3032.22) 2 141.0399 141.0399@6.658819 + 582.1475@6.6500244 6.6500244 (583.15515, 2873.14)(584.156, 1150.14) 2 582.1475 582.1475@6.6500244 + 349.2091@6.665125 6.665125 (350.2167, 2046.975)(372.1973, 994.09) 2 349.2091 349.2091@6.665125 + 710.5324@6.657794 6.657794 (711.5394, 2437.11)(712.5427, 1192.8954)(733.51904, 700.185) 13 710.5324 710.5324@6.657794 + 702.5672@6.717025 6.717025 (703.5744, 46872.105)(725.55566, 14958.16) 2 702.5672 702.5672@6.717025 + 672.4044@6.658977 6.658977 (673.414, 4066.3499)(674.4083, 2410.68)(695.399, 3127.25)(696.4031, 1875.97)(697.4121, 2038.75) 3 672.4044 672.4044@6.658977 + 948.6131@6.644104 6.644104 (949.6224, 1114.5366)(950.62646, 918.5166)(951.6374, 1127.0167) 3 948.6131 948.6131@6.644104 + 704.3563@6.6563125 6.6563125 (705.3636, 5583.89)(706.3737, 2208.34) 1 704.3563 704.3563@6.6563125 + 610.3667@6.657576 6.657576 (611.3743, 16942.035)(612.3739, 4688.198)(613.37244, 1171.36) 6 610.3667 610.3667@6.657576 + 407.1643@6.6563125 6.6563125 (408.17, 1185.47)(430.1541, 3242.29) 1 407.1643 407.1643@6.6563125 + 533.3456@6.6715918 6.6715918 (1067.6993, 11579.68)(1068.7024, 6461.5347)(1069.7139, 7510.37)(1070.7184, 6492.36)(1071.7219, 2213.28)(1072.7261, 684.53)(534.346, 3310.936)(535.3429, 1103.6649) 5 533.3456 533.3456@6.6715918 + 631.3475@6.6714244 6.6714244 (632.35284, 7783.3945)(633.3557, 2871.6626)(634.3678, 1328.26)(614.342, 3710.93)(615.3455, 1268.68)(649.3857, 1055.0)(654.33704, 2241.285)(655.338, 1309.77)(656.3498, 1033.6) 8 631.3475 631.3475@6.6714244 + 821.4143@6.6592975 6.6592975 (822.4216, 1604.39)(823.4253, 1179.78) 1 821.4143 821.4143@6.6592975 + 865.5862@6.657009 6.657009 (866.5907, 2469.6602)(867.59314, 1456.495) 2 865.5862 865.5862@6.657009 + 445.1023@6.647533 6.647533 (446.10934, 3911.3535)(447.1107, 1213.85) 3 445.1023 445.1023@6.647533 + 193.0409@6.664502 6.664502 (194.04803, 4906.0083)(195.05118, 891.72595)(196.0473, 914.4)(216.03023, 3860.5671)(217.0332, 1001.27997) 17 193.0409 193.0409@6.664502 + 71.0734@6.662227 6.662227 (72.0807, 14371.266)(73.0842, 852.0475) 4 71.0734 71.0734@6.662227 + 825.413@6.6632776 6.6632776 (826.4203, 2840.02)(827.4226, 1141.72)(828.4364, 1624.68)(829.4381, 513.15) 1 825.413 825.413@6.6632776 + 73.0526@6.6554275 6.6554275 (74.05991, 7127.803)(56.049435, 1636.3534) 6 73.0526 73.0526@6.6554275 + 602.4106@6.665268 6.665268 (603.4179, 3944.69) 1 602.4106 602.4106@6.665268 + 55.042@6.6492662 6.6492662 (56.049347, 2718.115) 2 55.042 55.042@6.6492662 + PE(14:0/10:0)[U] 6.6751556 PE(14:0/10:0)[U] [ C29 H58 N O8 P, db=59.33, overall=29.67, Lipid ID=LMGP02010061, METLIN ID=40460 ] (597.4201, 5908.197)(598.42365, 2482.9675)(599.4366, 2417.7) 6 596.4052 PE(14:0/10:0)[U] + LMGP02010061 563.3938@6.6809807 6.6809807 (564.40125, 3119.94)(565.40283, 1601.5228)(586.381, 1323.3201)(587.3681, 775.7) 7 563.3938 563.3938@6.6809807 + 575.3915@6.681781 6.681781 (576.3976, 7829.4834)(577.403, 2627.185) 10 575.3915 575.3915@6.681781 + 692.378@6.6801944 6.6801944 (693.3853, 1874.66)(694.382, 1162.94) 1 692.378 692.378@6.6801944 + 819.4007@6.683179 6.683179 (820.4079, 1443.3)(821.411, 880.87) 1 819.4007 819.4007@6.683179 + 783.433@6.69953 6.69953 (784.43964, 2690.3176)(785.44556, 1420.0155)(786.44824, 1866.6189)(787.45, 960.71)(801.4691, 1066.678)(802.4812, 775.01) 12 783.433 783.433@6.69953 + 823.3955@6.6904325 6.6904325 (824.4049, 2212.605)(825.4059, 1349.36) 2 823.3955 823.3955@6.6904325 + 855.48@6.6988616 6.6988616 (856.48, 1104.7267)(857.4965, 650.16)(858.4912, 710.21)(873.5156, 2128.25)(874.5103, 1759.23) 3 855.48 855.48@6.6988616 + 594.4001@6.695795 6.695795 (595.4068, 10647.507)(596.4022, 7374.07) 8 594.4001 594.4001@6.695795 + C33 H42 N14 O3 6.698538 [ C33 H42 N14 O3, mfg=71.47, overall=71.47 ] (683.36255, 14154.019)(684.3676, 5388.8906) 32 682.3546 C33 H42 N14 O3 + 942.0214@6.6921344 6.6921344 (943.0286, 2108.93)(944.0133, 1115.81) 1 942.0214 942.0214@6.6921344 + 949.5128@6.69313 6.69313 (950.5201, 731.64)(951.5316, 767.32) 1 949.5128 949.5128@6.69313 + 536.3127@6.699006 6.699006 (537.3235, 1207.965)(538.3267, 832.63)(539.3337, 646.33) 2 536.3127 536.3127@6.699006 + C33 H45 N7 O2 6.6952085 [ C33 H45 N7 O2, mfg=64.84, overall=64.84 ] (572.3685, 56441.81)(573.37213, 17451.828)(574.38354, 46418.94)(575.3872, 13990.916)(576.3972, 7848.8423)(577.4034, 3359.62)(594.3511, 7574.6)(595.3605, 3196.0332) 19 571.3614 C33 H45 N7 O2 + 609.4485@6.686987 6.686987 (610.45654, 5459.3774)(611.45905, 1974.0801)(612.4574, 622.74) 8 609.4485 609.4485@6.686987 + 1249.6841@6.6991 6.6991 (1250.6914, 1398.5)(1251.6956, 1186.85) 1 1249.6841 1249.6841@6.6991 + 966.5222@6.700095 6.700095 (967.5295, 1283.14)(968.5353, 942.0) 1 966.5222 966.5222@6.700095 + 854.4754@6.706792 6.706792 (855.48114, 1132.85)(856.487, 1187.9033)(857.4872, 678.53)(872.50555, 3031.9058)(873.5087, 1225.42)(874.50195, 1733.5533)(877.4776, 615.69) 5 854.4754 854.4754@6.706792 + 1201.6866@6.7050214 6.7050214 (1202.693, 2000.5)(1203.6948, 1289.8033)(1204.7013, 910.21) 3 1201.6866 1201.6866@6.7050214 + 942.5209@6.7042813 6.7042813 (943.5299, 1601.5449)(944.53735, 977.415)(945.548, 1646.5) 2 942.5209 942.5209@6.7042813 + 824.9808@6.705124 6.705124 (825.98975, 16125.911)(826.9935, 11610.186)(828.004, 12113.537) 20 824.9808 824.9808@6.705124 + 825.4832@6.7049613 6.7049613 (826.4904, 15911.105)(827.4962, 6556.7627)(828.5072, 6900.425)(829.5105, 2279.21)(830.5188, 1742.4)(843.5155, 1024.46) 21 825.4832 825.4832@6.7049613 + 1129.6519@6.7179766 6.7179766 (1130.6575, 1669.415)(1131.6594, 1489.2074)(1132.6709, 1946.9567) 4 1129.6519 1129.6519@6.7179766 + 896.0024@6.7031627 6.7031627 (897.01044, 2028.7999)(898.01544, 1093.1768)(899.0278, 1281.9401) 7 896.0024 896.0024@6.7031627 + 1085.149@6.7155523 6.7155523 (1086.1566, 7735.1655)(1087.1648, 4301.657)(1088.1726, 4867.9165)(1089.1799, 3522.642)(1090.188, 6100.9116)(1103.1855, 1415.63) 20 1085.149 1085.149@6.7155523 + C35 H68 N O4 S2 6.710739 [ C35 H68 N O4 S2, mfg=47.62, overall=23.81 ] (653.44824, 1987.9166)(654.45013, 1078.4349) 6 652.4431 C35 H68 N O4 S2 + 1155.1628@6.712928 6.712928 (1156.168, 1052.71)(1157.1794, 1145.9651)(1158.1753, 1058.81) 2 1155.1628 1155.1628@6.712928 + 409.0972@6.708055 6.708055 (410.1046, 10495.91)(411.1074, 1323.09)(412.1021, 949.44)(432.086, 1907.84) 1 409.0972 409.0972@6.708055 + 1177.6813@6.7106423 6.7106423 (1178.6945, 1536.7933)(1179.7014, 1167.9733)(1180.6942, 904.82666)(1195.732, 692.25) 3 1177.6813 1177.6813@6.7106423 + 255.0743@6.70905 6.70905 (256.0816, 3973.87) 1 255.0743 255.0743@6.70905 + 1225.6869@6.71104 6.71104 (1226.6942, 1430.21)(1227.6925, 1392.39)(1228.7069, 935.75) 1 1225.6869 1225.6869@6.71104 + 884.0064@6.7130527 6.7130527 (885.0121, 2542.295)(886.01385, 1365.105)(887.0249, 1297.79)(907.0028, 1062.0)(908.0264, 753.54)(909.0182, 1415.89) 2 884.0064 884.0064@6.7130527 + 1344.3129@6.715158 6.715158 (1345.324, 2161.9517)(1346.3271, 2224.658)(1347.3369, 2000.9551) 6 1344.3129 1344.3129@6.715158 + 810.5046@6.713544 6.713544 (811.5101, 1978.0499)(812.5013, 1152.4149)(813.50665, 1252.0074)(833.4964, 1240.47) 8 810.5046 810.5046@6.713544 + 848.981@6.704829 6.704829 (849.9893, 8480.327)(850.99554, 5983.502)(852.0078, 3092.3425)(831.9731, 1630.73)(832.983, 835.43)(867.01, 727.85)(871.9663, 1635.27) 16 848.981 848.981@6.704829 + 860.0027@6.7039785 6.7039785 (861.01056, 2400.04)(862.01184, 1857.1475)(863.0235, 1569.9166)(878.0497, 1235.47) 5 860.0027 860.0027@6.7039785 + 1082.6373@6.729007 6.729007 (1083.6476, 4511.4414)(1084.6512, 3759.2217)(1085.6537, 73719.5)(1100.6759, 5365.88)(1101.6854, 4783.36)(1102.6913, 3731.61) 7 1082.6373 1082.6373@6.729007 + 810.0@6.716322 6.716322 (811.0102, 2087.0325)(812.0026, 1605.4941)(813.01654, 1668.2563)(832.98914, 1056.8539)(834.0062, 1084.66)(835.0089, 1304.15) 13 810 810.0@6.716322 + 658.3566@6.7117887 6.7117887 (659.3632, 5811.599)(660.372, 2786.7612)(661.3834, 1760.0732) 22 658.3566 658.3566@6.7117887 + 1332.3134@6.7187066 6.7187066 (1333.3213, 1901.0101)(1334.3245, 2162.0898)(1335.3368, 2283.24) 3 1332.3134 1332.3134@6.7187066 + 812.982@6.7371507 6.7371507 (813.9886, 14048.3545)(814.9934, 12638.2)(816.0042, 12186.315) 3 812.982 812.982@6.7371507 + 1063.6655@6.718005 6.718005 (1064.6729, 29703.21) 1 1063.6655 1063.6655@6.718005 + 1143.6638@6.7208843 6.7208843 (1144.6732, 2068.095)(1145.6707, 1710.27)(1146.6763, 1631.325) 2 1143.6638 1143.6638@6.7208843 + 706.3553@6.718479 6.718479 (707.3628, 3674.452)(708.365, 1889.2374)(709.3772, 2443.1)(710.3748, 658.14) 5 706.3553 706.3553@6.718479 + 1119.148@6.7219267 6.7219267 (1120.1676, 1755.0024)(1121.1729, 1298.4125)(1122.1686, 2180.735)(1123.1648, 1611.4199)(1124.1781, 1509.52) 4 1119.148 1119.148@6.7219267 + 645.3619@6.7126336 6.7126336 (646.3684, 8315.4795)(647.3723, 3450.3787)(648.3822, 2580.8657)(628.3569, 1872.58)(663.3986, 828.63) 10 645.3619 645.3619@6.7126336 + 1119.6615@6.770984 6.770984 (1120.6617, 1945.3049)(1137.694, 3271.97)(1138.6958, 2155.53)(1139.6978, 2129.43)(1140.7123, 1029.1)(1141.7083, 2051.7) 2 1119.6615 1119.6615@6.770984 + 702.3596@6.7219853 6.7219853 (703.3669, 2317.64)(704.3737, 1545.82) 1 702.3596 702.3596@6.7219853 + 898.5197@6.6826077 6.6826077 (899.52795, 1373.45)(900.5292, 1182.735)(901.5177, 1151.2) 2 898.5197 898.5197@6.6826077 + 1146.1888@6.7229805 6.7229805 (1147.1962, 1427.95)(1148.1924, 1063.66)(1149.2051, 1020.75) 1 1146.1888 1146.1888@6.7229805 + 1097.1556@6.7248855 6.7248855 (1098.1617, 5134.2104)(1099.1721, 3147.4102)(1100.176, 4458.723)(1101.1798, 2902.5999)(1102.1875, 3192.522) 11 1097.1556 1097.1556@6.7248855 + 1085.6497@6.7202063 6.7202063 (1086.6569, 27417.582)(1087.6692, 40802.54)(1088.6737, 24305.182) 4 1085.6497 1085.6497@6.7202063 + 824.5219@6.7259655 6.7259655 (825.5252, 2373.21)(847.5147, 1428.06) 1 824.5219 824.5219@6.7259655 + 874.0165@6.7259655 6.7259655 (875.0238, 2488.87)(876.0276, 1509.58)(877.0446, 1498.31) 1 874.0165 874.0165@6.7259655 + 851.5014@6.7141433 6.7141433 (852.5117, 2297.9285)(853.5087, 1192.2401)(854.5076, 1142.94)(874.4977, 825.95) 6 851.5014 851.5014@6.7141433 + 803.4982@6.7307763 6.7307763 (804.5051, 13743.875)(805.5107, 6041.37)(806.5203, 8222.182)(821.5307, 1212.51) 24 803.4982 803.4982@6.7307763 + 1095.7167@6.7289653 6.7289653 (1096.7241, 2613.8066)(1097.7424, 3016.565)(1098.7439, 1845.44)(1099.7488, 693.59) 3 1095.7167 1095.7167@6.7289653 + 1051.6667@6.7458787 6.7458787 (1052.6746, 6602.3623)(1053.6836, 9419.908)(1054.6914, 6029.485) 19 1051.6667 1051.6667@6.7458787 + 1358.8398@6.734286 6.734286 (1359.8441, 1753.1234)(1360.8541, 1523.96)(1361.8553, 2302.0598)(1362.8557, 1943.92)(1363.8654, 1403.64) 3 1358.8398 1358.8398@6.734286 + C36 H51 Cl N O 6.7349358 [ C36 H51 Cl N O, mfg=47.60, overall=47.60 ] (1097.7393, 2859.655)(1098.7429, 1626.01)(1099.7483, 1340.15)(549.3731, 58259.074) 14 548.366 C36 H51 Cl N O + 828.0028@6.729882 6.729882 (829.0104, 8610.497)(830.01746, 5642.6646)(831.0228, 3194.1272) 4 828.0028 828.0028@6.729882 + 1100.1727@6.739039 6.739039 (1101.1783, 3667.8062)(1102.189, 3493.25)(1103.1986, 2639.1475)(1118.2043, 1068.36) 5 1100.1727 1100.1727@6.739039 + 875.5272@6.7478843 6.7478843 (876.53424, 2270.0)(877.53735, 1817.03)(878.55066, 2295.6)(879.5402, 1007.16)(880.523, 586.46) 2 875.5272 875.5272@6.7478843 + 1105.6633@6.7507453 6.7507453 (1106.662, 2148.6133)(1107.6636, 1715.2999)(1108.6721, 1584.08) 3 1105.6633 1105.6633@6.7507453 + 878.0451@6.713661 6.713661 (879.0508, 1497.2833) 3 878.0451 878.0451@6.713661 + 1077.18@6.7490683 6.7490683 (1078.1882, 6445.518)(1100.1761, 3729.6)(1101.1771, 2428.59)(1102.1853, 2870.87) 9 1077.18 1077.18@6.7490683 + 1314.8586@6.749765 6.749765 (1315.8666, 2318.205)(1316.8749, 2216.2)(1337.8523, 1545.6449)(1338.8604, 1831.99)(1339.8684, 3045.68) 8 1314.8586 1314.8586@6.749765 + 496.1258@6.7478557 6.7478557 (497.1331, 2222.32) 1 496.1258 496.1258@6.7478557 + 1336.846@6.744342 6.744342 (1337.8535, 2920.0881)(1338.8627, 2691.188)(1339.8678, 3566.4226)(1340.8733, 5137.42) 5 1336.846 1336.846@6.744342 + 1329.3794@6.7566338 6.7566338 (1330.3868, 11944.14)(1331.3933, 11966.686)(1332.399, 7054.9697)(1333.4022, 1729.9966) 18 1329.3794 1329.3794@6.7566338 + 1130.2034@6.7622123 6.7622123 (1131.2085, 2108.16)(1132.2146, 2588.3398)(1133.2175, 1777.17)(1134.2227, 1480.39) 3 1130.2034 1130.2034@6.7622123 + C26 H39 N13 6.765043 [ C26 H39 N13, mfg=78.69, overall=39.35 ] (534.352, 7833.3726)(535.35345, 2699.5085) 12 533.345 C26 H39 N13 + 1327.3644@6.765869 6.765869 (1328.3713, 7984.3345)(1329.3789, 10182.97)(1330.3862, 13052.775)(1331.3942, 19808.88)(1332.399, 10696.66)(1333.4019, 1977.45) 7 1327.3644 1327.3644@6.765869 + 293.1625@6.765555 6.765555 (294.1697, 7036.5146)(295.1734, 1528.1775) 4 293.1625 293.1625@6.765555 + 1052.6761@6.7612443 6.7612443 (1053.6837, 12150.006)(1054.69, 9901.057)(1055.6997, 14918.0205)(1056.7012, 8492.442)(1057.7056, 2190.6)(1075.6749, 4131.4526)(1076.6836, 4940.81)(1077.692, 3928.9) 11 1052.6761 1052.6761@6.7612443 + 1587.0256@6.770241 6.770241 (1588.0336, 4375.323)(1589.0446, 7008.91)(1590.0492, 5439.877) 3 1587.0256 1587.0256@6.770241 + 609.3178@6.753393 6.753393 (610.3223, 1796.3934)(611.3311, 1075.08)(612.3279, 2596.97) 3 609.3178 609.3178@6.753393 + 1324.3408@6.7674537 6.7674537 (1325.3474, 4377.1724)(1326.3529, 4538.0474)(1327.3634, 5285.6133) 4 1324.3408 1324.3408@6.7674537 + 1059.1774@6.77508 6.77508 (1060.1865, 3013.4448)(1061.1868, 3147.665) 2 1059.1774 1059.1774@6.77508 + 87.0319@6.7787 6.7787 (88.0391, 6043.89) 1 87.0319 87.0319@6.7787 + 1584.0048@6.7430716 6.7430716 (1585.0135, 3245.6135)(1586.0187, 2797.0422)(1587.0269, 2718.083)(1588.033, 2867.21)(1589.0432, 6014.53) 9 1584.0048 1584.0048@6.7430716 + 59.0368@6.7816844 6.7816844 (60.0441, 15406.1) 1 59.0368 59.0368@6.7816844 + 1125.1627@6.760012 6.760012 (1126.173, 1533.85)(1127.1758, 1687.4365)(1128.1683, 1796.3151) 3 1125.1627 1125.1627@6.760012 + 1056.1606@6.7870655 6.7870655 (1057.166, 2546.57)(1058.1699, 2647.05)(1059.1781, 2795.3625)(1060.1833, 2592.46)(1061.1891, 3787.78)(1079.1577, 1629.49) 4 1056.1606 1056.1606@6.7870655 + 1056.6782@6.7733865 6.7733865 (1057.6826, 3230.7197)(1058.6798, 2589.6501)(1059.6652, 4201.2646)(1079.641, 4136.39)(1080.6451, 2569.75)(1081.6554, 2617.76)(1082.6648, 909.11) 9 1056.6782 1056.6782@6.7733865 + 790.4882@6.740364 6.740364 (791.4925, 5440.3535)(792.5013, 3492.9766)(793.4883, 1766.135)(813.4686, 1702.01)(814.457, 1652.08) 3 790.4882 790.4882@6.740364 + 1321.3168@6.7917066 6.7917066 (1322.3259, 6387.989)(1323.3318, 6133.745)(1324.3398, 5477.5615) 7 1321.3168 1321.3168@6.7917066 + 1049.6508@6.7906394 6.7906394 (1050.6581, 22312.79)(1051.6685, 27520.73)(1052.6731, 15771.64) 1 1049.6508 1049.6508@6.7906394 + 1068.6377@6.801474 6.801474 (1069.6444, 8479.57)(1070.6476, 4882.4897)(1071.6599, 12267.775)(1072.6628, 6572.9805)(1073.6709, 4843.165) 10 1068.6377 1068.6377@6.801474 + 652.4422@6.79549 6.79549 (653.4475, 2285.4407)(654.45026, 1573.2968) 9 652.4422 652.4422@6.79549 + 852.4926@6.793624 6.793624 (853.4999, 2096.04)(854.5031, 1496.53) 1 852.4926 852.4926@6.793624 + 1112.6628@6.8139734 6.8139734 (1113.6688, 2335.149)(1114.6721, 1858.0275)(1115.683, 4589.5034)(1116.6887, 3600.4927)(1117.6746, 4182.0767)(1118.7017, 2807.31)(1119.7134, 4470.52) 9 1112.6628 1112.6628@6.8139734 + 1049.1486@6.798198 6.798198 (1050.1556, 31051.365)(1051.1608, 15732.158)(1052.1696, 8968.981)(1053.1768, 3731.3818)(1072.1473, 3532.23)(1073.1523, 1979.73) 14 1049.1486 1049.1486@6.798198 + 1296.8136@6.805853 6.805853 (1297.8209, 19574.146)(1298.825, 10254.129)(1299.8323, 4032.6345)(1319.8125, 1341.115) 13 1296.8136 1296.8136@6.805853 + 1024.6462@6.8035803 6.8035803 (1025.6532, 23606.117)(1026.6581, 15749.552)(1027.6692, 6376.2144)(1028.6737, 2333.68)(1029.6722, 890.315) 9 1024.6462 1024.6462@6.8035803 + 575.3218@6.7531533 6.7531533 (576.3306, 16126.997)(577.3371, 5364.35)(578.3405, 5269.44)(579.3452, 1930.36)(580.3605, 3095.29) 3 575.3218 575.3218@6.7531533 + C13 H23 N O4 6.8286657 [ C13 H23 N O4, mfg=71.93, overall=71.93 ] (258.16998, 5451.962)(259.17297, 1307.8539) 14 257.1628 C13 H23 N O4 + 1139.672@6.759116 6.759116 (1140.6902, 2526.0388)(1141.6829, 1675.7749)(1142.6827, 1093.9) 7 1139.672 1139.672@6.759116 + 649.3194@6.8572984 6.8572984 (650.3266, 7218.34)(651.3267, 2738.21)(652.3127, 1033.19) 1 649.3194 649.3194@6.8572984 + 672.3203@6.8612776 6.8612776 (673.3276, 2206.98)(674.3244, 1420.24) 1 672.3203 672.3203@6.8612776 + 642.3279@6.8622723 6.8622723 (643.3351, 3299.22)(644.3329, 1111.06) 1 642.3279 642.3279@6.8622723 + 646.3008@6.8632674 6.8632674 (647.3081, 4018.96)(648.311, 1693.87) 1 646.3008 646.3008@6.8632674 + 503.2984@6.8710155 6.8710155 (504.30557, 60593.44)(505.30917, 16074.802) 8 503.2984 503.2984@6.8710155 + 704.3062@6.8752055 6.8752055 (705.3135, 4745.08)(706.3162, 1653.18)(707.3228, 1034.41) 1 704.3062 704.3062@6.8752055 + 519.2726@6.8749466 6.8749466 (520.28, 4736.022)(521.28235, 1396.6688)(522.28094, 874.0366) 10 519.2726 519.2726@6.8749466 + 115.0633@6.879185 6.879185 (116.0706, 35273.09)(117.074, 2103.21) 1 115.0633 115.0633@6.879185 + 610.3768@6.879185 6.879185 (611.3841, 2258.0)(612.3789, 1104.6) 1 610.3768 610.3768@6.879185 + 205.1416@6.8821697 6.8821697 (206.1489, 4636.46)(207.1536, 1148.8) 1 205.1416 205.1416@6.8821697 + 703.404@6.8798866 6.8798866 (704.4113, 4862.3535)(705.4167, 2115.7434)(706.4289, 880.8467) 3 703.404 703.404@6.8798866 + 700.3281@6.8854737 6.8854737 (701.33466, 3546.2131)(702.3399, 1469.22)(703.3393, 858.78) 3 700.3281 700.3281@6.8854737 + 714.3443@6.887144 6.887144 (715.3516, 1388.45)(716.3604, 831.56) 1 714.3443 714.3443@6.887144 + 726.3421@6.887144 6.887144 (727.3494, 1605.29)(728.3555, 1215.95) 1 726.3421 726.3421@6.887144 + 597.3012@6.8685484 6.8685484 (598.3113, 2090.082)(599.31616, 1094.8726)(600.32526, 1567.0332)(615.3342, 5349.06)(616.334, 2438.97)(617.3259, 1530.19) 5 597.3012 597.3012@6.8685484 + 161.1061@6.8901286 6.8901286 (162.1131, 9771.34)(163.1238, 2396.07)(144.1042, 1998.39)(184.0954, 1491.45) 1 161.1061 161.1061@6.8901286 + 810.5934@6.891654 6.891654 (811.6006, 3935.8823)(812.6061, 1489.975)(813.6103, 830.76) 4 810.5934 810.5934@6.891654 + 783.5756@6.894108 6.894108 (784.5829, 1934.97)(785.5859, 1030.26) 1 783.5756 783.5756@6.894108 + 832.6429@6.9013367 6.9013367 (833.64905, 1936.9349)(834.6519, 1108.48) 4 832.6429 832.6429@6.9013367 + 702.3919@6.8980875 6.8980875 (703.3991, 2254.0) 1 702.3919 702.3919@6.8980875 + 578.3212@6.899082 6.899082 (579.3285, 1616.54) 1 578.3212 578.3212@6.899082 + 626.3645@6.9010715 6.9010715 (627.3718, 2199.16)(628.378, 1109.97)(629.3844, 1327.94) 1 626.3645 626.3645@6.9010715 + 568.3203@6.974912 6.974912 (569.32745, 3006.1836)(570.3378, 882.02) 3 568.3203 568.3203@6.974912 + 159.0907@6.9020667 6.9020667 (160.0976, 7900.44)(161.1006, 923.16)(142.0899, 1705.25) 1 159.0907 159.0907@6.9020667 + 599.32@6.9020667 6.9020667 (600.3273, 1284.82) 1 599.32 599.32@6.9020667 + 586.2975@6.906046 6.906046 (587.3048, 3312.31)(588.3006, 1477.19) 1 586.2975 586.2975@6.906046 + 567.3193@6.8996115 6.8996115 (1157.6342, 1866.95)(1158.632, 1721.66)(1159.6454, 866.59)(568.32544, 5521.085)(569.3294, 1763.05)(570.3313, 913.67)(550.3129, 5744.26)(551.3293, 1345.98) 2 567.3193 567.3193@6.8996115 + 665.3895@6.918991 6.918991 (666.3945, 9791.384)(667.3986, 3636.4353)(688.3793, 927.55005) 12 665.3895 665.3895@6.918991 + 302.1848@6.9324427 6.9324427 (303.1919, 9021.85)(304.1921, 2093.2349) 2 302.1848 302.1848@6.9324427 + 155.0348@6.9368854 6.9368854 (156.0421, 30084.6)(157.046, 2100.88)(158.0406, 2598.69) 1 155.0348 155.0348@6.9368854 + 220.1784@6.9537964 6.9537964 (221.1857, 2140.31) 1 220.1784 220.1784@6.9537964 + 234.158@6.957811 6.957811 (491.3047, 19921.395)(492.3082, 8437.48)(493.3119, 1922.13)(235.1654, 925015.25)(236.16864, 107637.34)(237.17055, 12618.9795)(238.1741, 1362.55) 2 234.158 234.158@6.957811 + 351.2365@6.956781 6.956781 (352.2435, 19800.84)(353.2467, 4298.37)(374.226, 10824.24)(375.2293, 2477.94) 1 351.2365 351.2365@6.956781 + 159.0895@6.9962792 6.9962792 (160.09714, 10111.647)(161.10051, 1176.8217)(182.0805, 3279.63) 6 159.0895 159.0895@6.9962792 + 709.4115@7.0025396 7.0025396 (710.4187, 2893.08)(711.4259, 1070.79) 1 709.4115 709.4115@7.0025396 + 175.0033@7.047179 7.047179 (176.01071, 2470.398) 5 175.0033 175.0033@7.047179 + 229.1316@7.068089 7.068089 (230.13887, 5513.8784)(231.14124, 1527.6084)(247.1654, 532.36) 7 229.1316 229.1316@7.068089 + 373.2464@7.068559 7.068559 (374.25305, 2178.0127)(375.25586, 770.585) 4 373.2464 373.2464@7.068559 + Amikacin 7.0735254 C06820 Amikacin [ C22 H43 N5 O13, mfg=42.48, db=57.42, overall=49.95, CAS ID=37517-28-5, KEGG ID=C06820, METLIN ID=943 ] 37517-28-5 (586.292, 3576.597)(587.29553, 1284.6093)(588.2933, 2897.619)(589.2963, 788.17334)(608.27313, 1412.15) 17 585.2845 Amikacin + 176.0173@7.1016607 7.1016607 (177.0246, 4203.2803) 2 176.0173 176.0173@7.1016607 + 496.0428@7.0900717 7.0900717 (497.0501, 1520.69) 1 496.0428 496.0428@7.0900717 + 320.0268@7.0910664 7.0910664 (321.0344, 1993.97)(343.0157, 2634.64) 1 320.0268 320.0268@7.0910664 + 189.1476@7.098928 7.098928 (190.15477, 10170.871)(191.15639, 1496.8916)(192.15054, 700.905) 6 189.1476 189.1476@7.098928 + 187.0668@7.1039963 7.1039963 (188.0741, 2151.75) 1 187.0668 187.0668@7.1039963 + 573.3047@7.1129484 7.1129484 (574.3115, 20130.16)(575.3146, 6531.69)(556.3014, 1717.89)(596.2974, 2498.08)(597.299, 1139.7) 1 573.3047 573.3047@7.1129484 + 115.0267@7.1129484 7.1129484 (116.0342, 1634.52)(133.0605, 39173.23) 1 115.0267 115.0267@7.1129484 + 334.0419@7.1192613 7.1192613 (691.0765, 915.35)(335.04932, 2591.445)(357.0308, 4651.13) 2 334.0419 334.0419@7.1192613 + 512.1186@7.120758 7.120758 (513.126, 2079.19)(514.1155, 893.49) 2 512.1186 512.1186@7.120758 + 524.0746@7.124257 7.124257 (525.0823, 3457.225)(526.09515, 1504.89)(527.07764, 1463.11) 2 524.0746 524.0746@7.124257 + 154.0353@7.1169267 7.1169267 (155.0426, 16700.8)(156.0451, 1754.77) 1 154.0353 154.0353@7.1169267 + 441.078@7.123889 7.123889 (442.0853, 1382.98)(443.0843, 820.45)(444.0809, 876.61) 1 441.078 441.078@7.123889 + 783.6393@7.1258783 7.1258783 (784.6466, 884.57) 1 783.6393 783.6393@7.1258783 + 700.1333@7.128862 7.128862 (701.1406, 2009.12)(702.1403, 1087.5) 1 700.1333 700.1333@7.128862 + 547.3612@7.1484256 7.1484256 (548.3684, 3741.937)(549.3701, 1394.5593)(550.3741, 689.69) 16 547.3612 547.3612@7.1484256 + 615.107@7.131846 7.131846 (616.1143, 1466.96) 1 615.107 615.107@7.131846 + 258.0854@7.1368184 7.1368184 (259.0926, 3446.79) 1 258.0854 258.0854@7.1368184 + 185.1161@7.1437807 7.1437807 (186.1202, 1208.97)(168.1132, 11458.51) 1 185.1161 185.1161@7.1437807 + 854.5806@7.15633 7.15633 (855.5877, 1379.1666)(856.5895, 1004.57) 3 854.5806 854.5806@7.15633 + 528.0983@7.147167 7.147167 (529.10614, 1522.0)(530.1045, 877.18) 2 528.0983 528.0983@7.147167 + 284.1485@7.1487536 7.1487536 (285.1564, 2866.16)(286.1611, 959.72)(307.1365, 1375.99) 1 284.1485 284.1485@7.1487536 + 480.1104@7.1497483 7.1497483 (481.1177, 3412.97)(482.1201, 707.09)(483.1147, 1091.1) 1 480.1104 480.1104@7.1497483 + 292.138@7.151778 7.151778 (293.14508, 4675.79)(315.1273, 85823.78)(316.1305, 11433.56)(317.1331, 1969.07) 2 292.138 292.138@7.151778 + 151.0243@7.160281 7.160281 (152.032, 8975.14)(153.0348, 1823.93)(169.05824, 222676.94)(170.06189, 14365.782)(171.06369, 2755.16) 4 151.0243 151.0243@7.160281 + 707.6378@7.1497483 7.1497483 (708.6451, 1787.48) 1 707.6378 707.6378@7.1497483 + 874.1837@7.1497483 7.1497483 (875.191, 1763.74)(876.1904, 1470.35)(877.1825, 969.29) 1 874.1837 874.1837@7.1497483 + 448.0875@7.1586123 7.1586123 (449.09433, 2509.708)(450.09128, 1120.4976) 5 448.0875 448.0875@7.1586123 + 797.1443@7.151919 7.151919 (798.1501, 1872.3821)(799.1493, 1229.622)(800.147, 1008.75) 5 797.1443 797.1443@7.151919 + 887.6498@7.152276 7.152276 (888.6563, 1005.405)(889.655, 823.0) 2 887.6498 887.6498@7.152276 + 382.1305@7.1543117 7.1543117 (383.13815, 2261.6228)(384.14185, 1279.28)(405.11975, 4985.99)(406.12262, 1170.4957)(407.12225, 735.54504) 11 382.1305 382.1305@7.1543117 + 712.6194@7.1537266 7.1537266 (713.6267, 1725.86) 1 712.6194 712.6194@7.1537266 + 797.6434@7.1559997 7.1559997 (798.6499, 1459.0475)(799.6587, 680.62335)(800.65405, 986.32996) 4 797.6434 797.6434@7.1559997 + 521.1169@7.1557155 7.1557155 (1043.2462, 660.65)(522.1235, 1609.13)(523.1267, 1059.99) 1 521.1169 521.1169@7.1557155 + 622.1166@7.156549 7.156549 (623.1234, 3024.584)(624.1212, 3301.495)(625.1237, 2317.03) 5 622.1166 622.1166@7.156549 + 888.1481@7.156254 7.156254 (889.15314, 2203.525)(890.156, 1349.485)(891.15137, 1086.49) 2 888.1481 888.1481@7.156254 + 322.1746@7.15671 7.15671 (323.1819, 2182.22)(324.1828, 786.17) 1 322.1746 322.1746@7.15671 + 712.1197@7.153985 7.153985 (713.12805, 2267.465)(714.126, 2902.89)(715.1249, 2092.68) 2 712.1197 712.1197@7.153985 + 158.0692@7.159086 7.159086 (159.07658, 2863.7224)(160.0772, 533.16) 4 158.0692 158.0692@7.159086 + 270.1331@7.166656 7.166656 (271.1404, 12372.48)(272.1448, 2004.05) 1 270.1331 270.1331@7.166656 + 218.1269@7.1676507 7.1676507 (219.1342, 4412.1)(220.1365, 972.96)(241.116, 2715.23) 1 218.1269 218.1269@7.1676507 + 615.3155@7.1714706 7.1714706 (616.3249, 3068.42)(617.3268, 1254.86)(618.31744, 1005.92505)(598.3112, 6224.0)(599.3147, 2199.68)(638.3077, 3457.83)(639.31165, 1300.96)(640.31, 1357.27) 3 615.3155 615.3155@7.1714706 + 809.5903@7.1795855 7.1795855 (810.5976, 5169.72)(811.6006, 2646.18)(812.6074, 1116.44) 1 809.5903 809.5903@7.1795855 + 597.3038@7.167778 7.167778 (598.30945, 3882.782)(599.31305, 1642.66)(600.3268, 1369.07)(620.2922, 996.7) 5 597.3038 597.3038@7.167778 + 741.3553@7.1685615 7.1685615 (742.3634, 2424.5571)(743.36566, 1199.9784)(744.3749, 999.2) 7 741.3553 741.3553@7.1685615 + 806.6274@7.2238727 7.2238727 (807.63446, 3254.3633)(808.6365, 1997.14)(809.63916, 946.45996) 3 806.6274 806.6274@7.2238727 + Thymine + 7.1826386 7.1826386 C00178 Thymine [ C5 H6 N2 O2, mfg=79.47, db=79.46, overall=79.46, CAS ID=65-71-4, KEGG ID=C00178, HMP ID=HMDB00262, METLIN ID=290 ] 65-71-4 (127.05017, 9410.288)(128.05267, 1083.5225) 6 126.0428 Thymine + 7.1826386 HMDB00262 + 835.6604@7.1925144 7.1925144 (836.6676, 1523.61) 1 835.6604 835.6604@7.1925144 + 603.2792@7.1895967 7.1895967 (604.28625, 2773.5625)(605.2895, 1040.718)(626.271, 1196.52) 8 603.2792 603.2792@7.1895967 + 524.075@7.1935086 7.1935086 (525.0823, 2611.99)(526.1018, 824.94)(527.0799, 1263.97) 1 524.075 524.075@7.1935086 + 175.0031@7.21141 7.21141 (176.0104, 1620.41) 1 175.0031 175.0031@7.21141 + 501.2524@7.294313 7.294313 (502.25882, 3788.55)(503.2619, 1372.615)(524.2391, 1052.21) 4 501.2524 501.2524@7.294313 + 557.2578@7.290968 7.290968 (558.2651, 1376.99) 1 557.2578 557.2578@7.290968 + 808.8998@7.293994 7.293994 (809.90717, 7225.1953)(810.9088, 1188.335) 2 808.8998 808.8998@7.293994 + 677.831@7.293729 7.293729 (678.8385, 10063.27)(679.8396, 1460.07) 2 677.831 677.831@7.293729 + 688.319@7.292957 7.292957 (689.3263, 3130.19)(690.3286, 1690.81) 1 688.319 688.319@7.292957 + 742.8641@7.2938323 7.2938323 (743.87177, 13102.9795)(744.8741, 3009.4531) 3 742.8641 742.8641@7.2938323 + 873.9335@7.2934966 7.2934966 (874.9417, 7263.3496)(875.943, 2198.63) 2 873.9335 873.9335@7.2934966 + 939.4673@7.292957 7.292957 (940.4746, 4766.58)(941.4757, 2077.05) 1 939.4673 939.4673@7.292957 + 743.3644@7.2931705 7.2931705 (744.3731, 8462.406)(745.3769, 2167.3499)(746.3814, 1541.2) 3 743.3644 743.3644@7.2931705 + 874.4341@7.2949886 7.2949886 (875.4415, 5525.445)(876.44257, 2376.155) 2 874.4341 874.4341@7.2949886 + 248.1485@7.29713 7.29713 (249.15593, 3366.79)(250.1559, 807.30005) 3 248.1485 248.1485@7.29713 + 612.2953@7.2963605 7.2963605 (613.3024, 5500.717)(614.3071, 5602.6797)(615.3115, 2478.63) 6 612.2953 612.2953@7.2963605 + 113.0588@7.2960114 7.2960114 (114.065834, 11653.929)(136.04805, 68240.26)(137.05113, 3520.705)(138.05519, 970.75) 7 113.0588 113.0588@7.2960114 + 864.3169@7.295221 7.295221 (865.3247, 3139.415)(866.3286, 1124.495)(867.3242, 2189.53)(887.3076, 1078.165) 2 864.3169 864.3169@7.295221 + 607.3117@7.3255577 7.3255577 (608.3187, 14338.859)(609.3224, 5891.957)(610.3335, 6741.37)(611.3366, 2080.07)(590.3078, 6831.82)(591.3119, 2140.14)(630.3016, 6847.107)(631.30426, 2550.6633)(632.3176, 5546.475)(633.32214, 1960.7749)(634.3291, 1138.15) 4 607.3117 607.3117@7.3255577 + 614.3027@7.317817 7.317817 (615.31, 1794.33)(616.3222, 981.89) 1 614.3027 614.3027@7.317817 + 473.2178@7.3445544 7.3445544 (474.22488, 3613.371)(475.22745, 1292.1699) 9 473.2178 473.2178@7.3445544 + 123.0793@7.358587 7.358587 (124.0866, 12668.17) 1 123.0793 123.0793@7.358587 + 246.1331@7.37255 7.37255 (247.14029, 3683.69)(248.147, 931.13) 2 246.1331 246.1331@7.37255 + 310.1523@7.4479275 7.4479275 (311.15976, 5068.377)(312.1633, 1410.445) 3 310.1523 310.1523@7.4479275 + 261.8804@7.7307715 7.7307715 (262.88803, 2894.2751) 6 261.8804 261.8804@7.7307715 + 172.0847@7.6518764 7.6518764 (173.0922, 3682.5)(190.1185, 28963.17)(191.1292, 4607.56) 1 172.0847 172.0847@7.6518764 + 539.3237@7.6503286 7.6503286 (540.3305, 2234.4976)(541.3317, 685.34) 4 539.3237 539.3237@7.6503286 + 489.1797@7.6673203 7.6673203 (490.18665, 10296.35)(491.18958, 2522.865)(492.1977, 1075.72) 2 489.1797 489.1797@7.6673203 + 740.4042@7.670763 7.670763 (741.4115, 1574.11)(742.4148, 888.58) 1 740.4042 740.4042@7.670763 + 621.2906@7.679709 7.679709 (622.2971, 3245.48)(623.301, 1307.59)(604.2881, 2135.39)(605.2931, 843.45)(606.3035, 5247.32)(607.3067, 1760.5)(608.3181, 4525.72)(609.3222, 852.79) 1 621.2906 621.2906@7.679709 + 568.1071@7.679709 7.679709 (569.1146, 3482.02)(591.096, 2080.63) 1 568.1071 568.1071@7.679709 + 591.3155@7.710799 7.710799 (592.32294, 13139.138)(593.32635, 4515.4404) 4 591.3155 591.3155@7.710799 + 350.1916@7.6816974 7.6816974 (351.1995, 1997.38)(373.1799, 1932.92) 1 350.1916 350.1916@7.6816974 + 570.3355@7.6845894 7.6845894 (571.3432, 9716.485)(572.34564, 2150.16) 2 570.3355 570.3355@7.6845894 + 148.0192@7.6926312 7.6926312 (149.0265, 9327.65)(150.0293, 709.72)(166.053, 201145.23)(167.0562, 12895.62)(168.0505, 10115.66)(169.0576, 689.11) 1 148.0192 148.0192@7.6926312 + 545.2051@7.6986303 7.6986303 (546.2118, 3004.075)(547.2142, 1297.32)(528.2032, 1433.85) 2 545.2051 545.2051@7.6986303 + 813.6799@7.6966076 7.6966076 (814.6872, 7671.0)(815.6901, 2596.69)(816.6894, 927.29) 1 813.6799 813.6799@7.6966076 + 812.6764@7.6995893 7.6995893 (813.6837, 14467.67) 1 812.6764 812.6764@7.6995893 + 265.1519@7.7254324 7.7254324 (266.1592, 3992.74)(267.1663, 1119.08) 1 265.1519 265.1519@7.7254324 + 567.317@7.728449 7.728449 (568.3242, 9572.58)(569.3272, 4475.03)(550.3122, 1867.26)(590.3073, 4862.28)(591.3116, 1164.34) 2 567.317 567.317@7.728449 + 235.1409@7.7309337 7.7309337 (236.14854, 4756.535)(237.15265, 915.575) 2 235.1409 235.1409@7.7309337 + 647.3082@7.708754 7.708754 (648.31494, 17125.82)(649.3179, 2828.58)(650.3272, 1035.51)(670.2959, 7058.78)(671.2987, 3042.7)(672.3064, 2773.53) 3 647.3082 647.3082@7.708754 + 621.2908@7.7333846 7.7333846 (622.2981, 3046.07)(623.3022, 1025.61) 1 621.2908 621.2908@7.7333846 + 810.6601@7.73736 7.73736 (811.6673, 6129.67)(812.6716, 3043.99) 1 810.6601 810.6601@7.73736 + 576.3218@7.738388 7.738388 (577.3292, 4025.395) 2 576.3218 576.3218@7.738388 + 198.0759@7.7413692 7.7413692 (199.08345, 3409.635)(200.0957, 1035.46) 2 198.0759 198.0759@7.7413692 + 633.3266@7.7501183 7.7501183 (634.3338, 7415.58)(635.3384, 2642.395)(636.34546, 1523.865)(637.3469, 323.78) 4 633.3266 633.3266@7.7501183 + 271.0994@7.7478304 7.7478304 (272.10687, 5053.17)(273.11145, 1208.745)(274.1088, 680.99) 2 271.0994 271.0994@7.7478304 + 212.1159@7.7758727 7.7758727 (213.12325, 11903.133)(214.12697, 2295.7566)(215.1261, 705.62)(235.108, 1838.39) 3 212.1159 212.1159@7.7758727 + 407.17@7.777972 7.777972 (408.1775, 3184.23)(409.1823, 948.46) 2 407.17 407.17@7.777972 + 451.1966@7.773228 7.773228 (452.20364, 4711.3047)(453.20758, 1436.8075)(474.1812, 2554.53) 9 451.1966 451.1966@7.773228 + 101.0838@7.8141427 7.8141427 (102.09105, 10432.984)(103.0896, 883.43) 2 101.0838 101.0838@7.8141427 + 233.1263@7.8536453 7.8536453 (234.1336, 4571.11)(235.1345, 1333.7) 1 233.1263 233.1263@7.8536453 + 214.1317@7.863113 7.863113 (215.13905, 6393.6846)(216.1418, 1091.355) 2 214.1317 214.1317@7.863113 + 243.1041@7.9321404 7.9321404 (244.11191, 3473.843)(245.1126, 903.16)(266.0958, 986.09) 7 243.1041 243.1041@7.9321404 + 260.1367@8.005688 8.005688 (261.144, 3109.41) 1 260.1367 260.1367@8.005688 + 214.1318@8.028542 8.028542 (215.1391, 11456.35)(216.144, 1541.79) 1 214.1318 214.1318@8.028542 + 175.0848@8.05424 8.05424 (176.09225, 5523.53)(177.0977, 945.405)(178.0942, 659.57) 5 175.0848 175.0848@8.05424 + 291.1945@8.094864 8.094864 (292.20172, 3408.3079)(293.2002, 1393.44) 5 291.1945 291.1945@8.094864 + 423.1658@8.125935 8.125935 (424.17267, 3161.9133)(425.17624, 1022.2083) 9 423.1658 423.1658@8.125935 + 145.1101@8.255529 8.255529 (146.1174, 10956.445)(147.1195, 1334.915) 2 145.1101 145.1101@8.255529 + 419.1309@8.286936 8.286936 (420.13855, 1754.3201) 2 419.1309 419.1309@8.286936 + 383.134@8.289828 8.289828 (384.1412, 2016.67) 1 383.134 383.134@8.289828 + 191.116@8.3245945 8.3245945 (192.1232, 8496.23)(193.1324, 1041.73) 1 191.116 191.116@8.3245945 + 302.1837@8.342473 8.342473 (303.1909, 2781.17)(304.1821, 957.41) 1 302.1837 302.1837@8.342473 + 266.1269@8.335959 8.335959 (267.1344, 3328.448)(268.1365, 1179.24) 5 266.1269 266.1269@8.335959 + 285.0973@8.372543 8.372543 (286.10483, 2528.1367)(287.1094, 564.0) 3 285.0973 285.0973@8.372543 + 525.2332@8.440803 8.440803 (526.2405, 1478.9) 1 525.2332 525.2332@8.440803 + 184.1575@8.44585 8.44585 (185.1647, 6042.62)(186.1679, 1316.27) 2 184.1575 184.1575@8.44585 + 197.1528@8.458459 8.458459 (198.16014, 4264.4087)(199.16434, 899.2157) 7 197.1528 197.1528@8.458459 + 327.1089@8.450009 8.450009 (328.11597, 2051.2349) 2 327.1089 327.1089@8.450009 + 413.181@8.5294 8.5294 (414.18805, 3166.6863)(415.1916, 922.5499)(396.1773, 1713.36)(436.1716, 1228.09) 8 413.181 413.181@8.5294 + 392.1869@8.687073 8.687073 (393.1942, 1929.3) 1 392.1869 392.1869@8.687073 + 225.077@8.693183 8.693183 (226.08418, 3733.0942)(227.0868, 1060.8)(248.0663, 1938.65) 5 225.077 225.077@8.693183 + 252.0891@8.708867 8.708867 (253.09686, 4401.8574)(254.09773, 1252.9733)(255.094, 822.0) 4 252.0891 252.0891@8.708867 + 258.0639@8.705937 8.705937 (259.0713, 3600.02)(281.053, 3014.37) 1 258.0639 258.0639@8.705937 + C15 H17 N7 O3 8.747763 [ C15 H17 N7 O3, mfg=80.60, overall=80.60 ] (344.1467, 5418.946)(345.15054, 1227.1038)(366.12946, 2448.62)(367.1339, 790.97) 16 343.1396 C15 H17 N7 O3 + 188.1274@8.758472 8.758472 (189.1347, 11344.76)(190.1376, 1997.21) 2 188.1274 188.1274@8.758472 + 631.2886@8.794297 8.794297 (632.2959, 1583.21)(633.2976, 646.81) 1 631.2886 631.2886@8.794297 + 541.2269@8.840956 8.840956 (542.2341, 2987.6)(543.2383, 854.96) 1 541.2269 541.2269@8.840956 + 437.1436@8.900402 8.900402 (438.15085, 7853.035)(439.15338, 1613.7) 2 437.1436 437.1436@8.900402 + 459.1861@8.925696 8.925696 (460.1934, 2316.3833)(461.1959, 758.615) 3 459.1861 459.1861@8.925696 + 501.1967@8.918383 8.918383 (502.204, 1715.78)(503.2057, 834.68) 1 501.1967 501.1967@8.918383 + 481.1695@8.93067 8.93067 (482.1774, 2659.46) 2 481.1695 481.1695@8.93067 + 515.2125@8.931287 8.931287 (516.2198, 1777.52)(517.2251, 1624.48)(518.2146, 1270.47) 1 515.2125 515.2125@8.931287 + 336.1741@8.941213 8.941213 (337.1813, 1891.79) 1 336.1741 336.1741@8.941213 + 527.2133@8.946176 8.946176 (528.2209, 2394.85)(550.2022, 3214.05)(551.2056, 914.27) 1 527.2133 527.2133@8.946176 + 168.0873@8.954487 8.954487 (337.1807, 753.0)(359.1641, 1759.18)(169.0946, 13406.165)(170.09619, 1506.4099)(191.0766, 8040.06)(192.0796, 1138.58) 2 168.0873 168.0873@8.954487 + 812.6763@8.949153 8.949153 (813.6839, 2013.45)(814.6877, 1623.71)(815.6939, 1153.8)(835.6653, 2193.2)(836.669, 1455.2) 1 812.6763 812.6763@8.949153 + 476.2642@8.9564705 8.9564705 (477.27264, 2047.31)(478.2734, 933.55)(499.2525, 2499.09)(500.2544, 518.94) 2 476.2642 476.2642@8.9564705 + 115.0632@8.960786 8.960786 (116.070435, 34702.832)(117.07363, 2535.5535)(133.097, 59906.465) 3 115.0632 115.0632@8.960786 + 251.1369@8.955976 8.955976 (252.14426, 8948.705)(253.14795, 1430.1951) 2 251.1369 251.1369@8.955976 + 314.1927@8.954116 8.954116 (315.2, 2741.12)(316.2001, 744.0) 1 314.1927 314.1927@8.954116 + 467.1535@8.958952 8.958952 (468.1607, 3879.815)(469.16635, 1053.145) 2 467.1535 467.1535@8.958952 + 358.1567@8.9561 8.9561 (359.1639, 2959.34) 1 358.1567 358.1567@8.9561 + 230.0584@8.9561 8.9561 (231.0657, 3628.31)(232.0698, 512.54) 1 230.0584 230.0584@8.9561 + 173.1163@8.962425 8.962425 (174.12366, 3270.635) 2 173.1163 173.1163@8.962425 + 471.1866@8.989636 8.989636 (472.19388, 8290.523)(494.176, 10682.154)(495.1798, 2202.565)(496.188, 1124.98) 3 471.1866 471.1866@8.989636 + 371.2279@9.012537 9.012537 (372.2352, 10001.89)(373.2375, 2229.905) 2 371.2279 371.2279@9.012537 + 235.0723@9.01601 9.01601 (236.07985, 4927.995)(237.081, 906.22)(238.0791, 861.25) 2 235.0723 235.0723@9.01601 + 190.1314@9.042303 9.042303 (191.13885, 10674.165) 2 190.1314 190.1314@9.042303 + 259.1647@9.070793 9.070793 (260.17218, 10762.502)(261.17453, 1810.96) 4 259.1647 259.1647@9.070793 + 572.3064@9.07424 9.07424 (573.31384, 27037.39)(574.3168, 9265.085)(575.3197, 2347.15)(595.2955, 8812.77)(596.2986, 2806.06) 2 572.3064 572.3064@9.07424 + 594.2878@9.0732155 9.0732155 (595.2951, 2054.65)(596.3005, 905.62) 1 594.2878 594.2878@9.0732155 + 481.1717@9.07495 9.07495 (482.1785, 5202.7935)(483.18158, 1957.5901)(484.1893, 510.65)(504.1639, 1795.17) 3 481.1717 481.1717@9.07495 + 574.3123@9.074208 9.074208 (575.3196, 1301.41) 1 574.3123 574.3123@9.074208 + 447.1718@9.089432 9.089432 (448.17905, 6477.175)(449.1825, 1013.47)(450.1872, 813.11) 2 447.1718 447.1718@9.089432 + 447.2341@9.080162 9.080162 (448.2414, 3324.34)(449.2439, 701.53) 1 447.2341 447.2341@9.080162 + 417.2232@9.08596 9.08596 (418.2306, 13405.96)(419.2341, 2390.69)(420.2343, 1138.07) 2 417.2232 417.2232@9.08596 + 829.409@9.090086 9.090086 (830.4165, 3711.58)(831.4198, 1851.7)(852.3976, 2310.28)(853.3998, 960.38) 1 829.409 829.409@9.090086 + 416.1197@9.092071 9.092071 (417.1269, 1552.7) 1 416.1197 416.1197@9.092071 + 491.6804@9.092071 9.092071 (492.6876, 3335.84) 1 491.6804 491.6804@9.092071 + 476.2003@9.091914 9.091914 (477.20752, 3910.9048)(478.21265, 1008.61) 2 476.2003 476.2003@9.091914 + 704.2749@9.097372 9.097372 (705.2822, 8265.016)(706.2859, 2491.65)(707.2845, 955.23) 2 704.2749 704.2749@9.097372 + 710.2957@9.096042 9.096042 (711.303, 1389.19) 1 710.2957 710.2957@9.096042 + 575.6743@9.096042 9.096042 (576.6816, 1310.58) 1 575.6743 575.6743@9.096042 + 695.7254@9.098026 9.098026 (696.7327, 2507.46)(697.7335, 1052.82) 1 695.7254 695.7254@9.098026 + 961.3773@9.098026 9.098026 (962.3846, 3062.77)(963.3901, 1042.67) 1 961.3773 961.3773@9.098026 + 598.1583@9.099356 9.099356 (599.1655, 4155.9297)(600.1701, 1401.67) 2 598.1583 598.1583@9.099356 + 361.0777@9.105373 9.105373 (362.08615, 3576.2832)(363.0882, 906.48)(384.0656, 1879.435) 3 361.0777 361.0777@9.105373 + 533.6811@9.098026 9.098026 (534.6884, 6721.93)(535.6881, 1110.14) 1 533.6811 533.6811@9.098026 + 533.1793@9.1003475 9.1003475 (534.1876, 13230.939)(535.19214, 1912.6401) 2 533.1793 533.1793@9.1003475 + 665.2412@9.099018 9.099018 (666.2485, 11227.59)(667.2505, 1582.27) 1 665.2412 665.2412@9.099018 + 771.3083@9.099018 9.099018 (772.3155, 3281.01)(773.3179, 1195.27) 1 771.3083 771.3083@9.099018 + 540.2007@9.1003475 9.1003475 (541.20776, 5485.6553)(542.2123, 1857.47)(558.2295, 884.87)(563.19086, 6361.435)(564.1952, 1427.88) 2 540.2007 540.2007@9.1003475 + 664.7394@9.099356 9.099356 (665.7467, 15149.265)(666.7494, 2746.555) 2 664.7394 664.7394@9.099356 + 793.2907@9.100844 9.100844 (794.2977, 172643.58)(795.3011, 47269.113)(796.30334, 12672.869)(797.30536, 2377.325)(798.304, 393.21) 2 793.2907 793.2907@9.100844 + 315.1556@9.106704 9.106704 (316.16354, 15484.16)(317.16595, 2567.885)(318.1671, 791.82) 3 315.1556 315.1556@9.106704 + 861.2774@9.100011 9.100011 (862.2847, 3942.36)(863.2874, 1295.66) 1 861.2774 861.2774@9.100011 + 552.1612@9.101339 9.101339 (553.1686, 17912.3)(554.17395, 3842.3848)(555.17004, 2007.0149)(556.1722, 404.12) 2 552.1612 552.1612@9.101339 + 604.1747@9.100844 9.100844 (605.18176, 29037.398)(606.18567, 6240.67)(607.18555, 1624.97) 2 604.1747 604.1747@9.100844 + 276.0768@9.099853 9.099853 (277.08374, 6445.48)(278.0856, 677.3)(279.0924, 886.79) 2 276.0768 276.0768@9.099853 + 261.0965@9.100844 9.100844 (523.19946, 5120.3447)(524.1938, 2166.645)(525.188, 882.18)(545.1807, 4625.24)(546.1893, 1300.8)(262.10596, 5353.565)(263.1126, 1512.13) 2 261.0965 261.0965@9.100844 + 567.6755@9.101003 9.101003 (568.6828, 3429.53) 1 567.6755 567.6755@9.101003 + 1050.3922@9.101003 9.101003 (1051.3995, 9336.07)(1052.4026, 3198.9)(1053.4071, 1268.67) 1 1050.3922 1050.3922@9.101003 + 594.1456@9.102828 9.102828 (595.15326, 3185.5752)(596.15393, 917.68506)(597.15515, 1495.515) 2 594.1456 594.1456@9.102828 + 592.1831@9.101003 9.101003 (593.1904, 1076.6) 1 592.1831 592.1831@9.101003 + 405.1293@9.101003 9.101003 (406.1366, 4216.01) 1 405.1293 405.1293@9.101003 + 570.6826@9.101003 9.101003 (571.6899, 3267.35)(572.6823, 831.95) 1 570.6826 570.6826@9.101003 + 561.1869@9.101003 9.101003 (562.1942, 2303.03) 1 561.1869 561.1869@9.101003 + 620.2323@9.101995 9.101995 (621.2395, 2946.96)(622.2407, 885.68) 1 620.2323 620.2323@9.101995 + 360.2019@9.101995 9.101995 (361.2092, 4396.86)(362.2141, 1030.95) 1 360.2019 360.2019@9.101995 + 640.164@9.101995 9.101995 (641.1712, 1121.86) 1 640.164 640.164@9.101995 + 601.1701@9.101995 9.101995 (602.1745, 1799.07)(619.2066, 1488.13) 1 601.1701 601.1701@9.101995 + 613.1335@9.101995 9.101995 (614.1391, 1305.66)(615.1455, 871.31)(636.1238, 1600.07) 1 613.1335 613.1335@9.101995 + 567.1727@9.102829 9.102829 (568.18066, 7341.42)(569.18164, 1172.75) 2 567.1727 567.1727@9.102829 + 543.1854@9.102988 9.102988 (544.1924, 1181.89)(566.1749, 2316.35)(567.1726, 1562.91) 1 543.1854 543.1854@9.102988 + 636.113@9.101837 9.101837 (637.1206, 2238.94)(638.122, 688.5)(639.1197, 613.72) 2 636.113 636.113@9.101837 + 666.1454@9.102829 9.102829 (667.152, 2380.69)(668.1551, 878.27) 2 666.1454 666.1454@9.102829 + 341.0555@9.105343 9.105343 (342.06232, 3111.9963)(343.0665, 799.72)(364.04453, 1351.7476) 8 341.0555 341.0555@9.105343 + 621.1644@9.104973 9.104973 (622.1716, 3016.79)(623.1767, 726.19) 1 621.1644 621.1644@9.104973 + 643.1868@9.103821 9.103821 (644.1935, 3147.74)(645.1956, 1020.685) 2 643.1868 643.1868@9.103821 + 572.3068@9.108263 9.108263 (573.314, 7827.48)(574.3169, 3883.1519)(575.3187, 1371.5549)(595.29504, 3303.815)(596.29834, 1563.5366) 8 572.3068 572.3068@9.108263 + 379.0094@9.124607 9.124607 (380.01685, 2164.0151)(381.0193, 1332.66)(382.0174, 1154.71) 2 379.0094 379.0094@9.124607 + 493.1801@9.133751 9.133751 (494.1873, 2277.35)(495.1888, 827.19) 1 493.1801 493.1801@9.133751 + 383.1451@9.3008585 9.3008585 (384.15244, 4352.505)(385.15646, 1091.8826)(386.1565, 873.3) 8 383.1451 383.1451@9.3008585 + 411.1291@9.302089 9.302089 (412.1365, 3618.1675)(413.13904, 1100.485)(414.1491, 760.57) 7 411.1291 411.1291@9.302089 + 174.1366@9.380046 9.380046 (175.1439, 17120.248)(176.14655, 1714.775) 3 174.1366 174.1366@9.380046 + 354.1469@9.5930805 9.5930805 (355.1541, 2762.84) 1 354.1469 354.1469@9.5930805 + 259.1888@9.951036 9.951036 (260.1961, 2090.91) 1 259.1888 259.1888@9.951036 + 287.2201@10.725874 10.725874 (288.2274, 2263.02) 1 287.2201 287.2201@10.725874 + 279.1813@10.816978 10.816978 (280.1886, 1852.15) 1 279.1813 279.1813@10.816978 + 151.1198@10.909061 10.909061 (152.127, 6408.67)(153.1301, 582.26) 1 151.1198 151.1198@10.909061 + 366.1868@10.92059 10.92059 (367.1941, 6909.02)(368.1987, 1212.89) 6 366.1868 366.1868@10.92059 + 223.0913@10.951284 10.951284 (224.0985, 2241.145) 2 223.0913 223.0913@10.951284 + 379.1938@10.986819 10.986819 (380.20093, 3224.925)(381.20685, 1270.53) 2 379.1938 379.1938@10.986819 + 557.1153@0.67574286 0.67574286 (558.1229, 2281.505)(559.1269, 888.12)(560.1217, 1709.07) 2 557.1153 557.1153@0.67574286 + 211.9757@0.73771155 0.73771155 (446.9383, 1038.0)(212.98364, 2499.02)(234.965, 7554.58) 2 211.9757 211.9757@0.73771155 + 355.0718@0.7516613 0.7516613 (356.07956, 3110.135)(357.0823, 1094.335) 4 355.0718 355.0718@0.7516613 + 198.0142@0.73981833 0.73981833 (199.0212, 4061.9924) 4 198.0142 198.0142@0.73981833 + 327.0231@0.7533989 0.7533989 (328.03055, 3514.8035)(329.03528, 877.5825)(345.053, 1237.07) 6 327.0231 327.0231@0.7533989 + 310.9919@0.78050125 0.78050125 (311.9992, 990.11) 1 310.9919 310.9919@0.78050125 + 233.0364@0.7844978 0.7844978 (234.0437, 1497.01) 1 233.0364 233.0364@0.7844978 + 256.1098@0.76513296 0.76513296 (257.11734, 6096.4727)(258.12177, 1579.5026)(274.1435, 1026.23) 4 256.1098 256.1098@0.76513296 + 353.0937@0.76459515 0.76459515 (354.10178, 2674.942)(355.10782, 886.9666) 5 353.0937 353.0937@0.76459515 + 251.0465@0.7658047 0.7658047 (252.05348, 3016.93)(253.0569, 783.095)(234.0432, 2160.22) 6 251.0465 251.0465@0.7658047 + 367.1782@0.7851635 0.7851635 (368.18564, 6124.2803) 2 367.1782 367.1782@0.7851635 + 368.1845@0.7856625 0.7856625 (369.19165, 4909.305)(370.19806, 1733.475) 2 368.1845 368.1845@0.7856625 + 258.0909@0.7875788 0.7875788 (259.09778, 2555.105)(260.09885, 951.9275)(241.0894, 1106.35) 4 258.0909 258.0909@0.7875788 + 318.1368@0.8028401 0.8028401 (319.1441, 4086.3)(320.14804, 1414.84) 2 318.1368 318.1368@0.8028401 + 201.0455@0.8057489 0.8057489 (202.05304, 2187.7651) 2 201.0455 201.0455@0.8057489 + 309.0087@0.80206656 0.80206656 (310.01602, 1516.7433) 3 309.0087 309.0087@0.80206656 + 189.1149@0.8102206 0.8102206 (190.12215, 8184.5996)(191.1238, 1755.99) 2 189.1149 189.1149@0.8102206 + 187.0997@0.8092206 0.8092206 (188.10684, 10916.975)(189.114, 3851.71) 2 187.0997 187.0997@0.8092206 + 269.0023@0.8114255 0.8114255 (270.0089, 1222.4066) 3 269.0023 269.0023@0.8114255 + 704.9719@0.83045655 0.83045655 (705.9792, 2090.97)(706.9806, 816.0) 1 704.9719 704.9719@0.83045655 + C11 H14 N5 S 0.80318654 [ C11 H14 N5 S, mfg=75.82, overall=37.91 ] (249.10297, 11197.572)(250.10907, 2363.2788)(251.107, 597.81) 9 248.0957 C11 H14 N5 S + 707.134@0.83045655 0.83045655 (708.1413, 5248.66)(709.1445, 1869.23) 1 707.134 707.134@0.83045655 + 230.0359@0.8104227 0.8104227 (478.10577, 2213.43)(479.1097, 719.19)(483.0607, 1225.12)(231.04303, 2846.2734)(248.0686, 3110.24)(253.02475, 866.39) 3 230.0359 230.0359@0.8104227 + 213.0102@0.79943997 0.79943997 (214.0159, 1635.3999)(236.0003, 2053.22) 4 213.0102 213.0102@0.79943997 + 937.1714@0.8314557 0.8314557 (938.1787, 2837.68)(939.181, 1467.21)(940.1779, 1084.71) 1 937.1714 937.1714@0.8314557 + 131.0371@0.82990676 0.82990676 (263.08105, 4906.075)(132.04445, 5684.58)(154.0264, 623.08) 5 131.0371 131.0371@0.82990676 + 942.1259@0.83245474 0.83245474 (943.1331, 2119.74)(944.1367, 1202.34) 1 942.1259 942.1259@0.83245474 + 1172.1613@0.83245474 0.83245474 (1173.1686, 2589.1)(1174.1741, 1483.88)(1175.1658, 1171.29) 1 1172.1613 1172.1613@0.83245474 + C30 H28 N6 O7 S4 0.80732787 [ C30 H28 N6 O7 S4, mfg=89.89, overall=89.89 ] (713.09753, 3625.381)(714.10016, 1364.3214)(715.0974, 974.17505) 7 712.0896 C30 H28 N6 O7 S4 + 380.3422@0.86442506 0.86442506 (381.3495, 1570.44) 1 380.3422 380.3422@0.86442506 + 382.3585@0.8431445 0.8431445 (383.36588, 1949.1068)(384.36615, 927.82007) 3 382.3585 382.3585@0.8431445 + 310.1195@0.86942035 0.86942035 (311.1268, 5182.68)(312.1288, 1122.24) 1 310.1195 310.1195@0.86942035 + 443.1296@0.8704194 0.8704194 (444.1369, 1765.48)(445.1382, 881.72) 1 443.1296 443.1296@0.8704194 + 263.9679@0.8641906 0.8641906 (264.97528, 2339.345) 2 263.9679 263.9679@0.8641906 + 398.1725@0.88940126 0.88940126 (399.1798, 2212.37) 1 398.1725 398.1725@0.88940126 + 310.0449@0.8943965 0.8943965 (311.0521, 2430.0) 1 310.0449 310.0449@0.8943965 + 281.0724@0.9192268 0.9192268 (282.0788, 3307.2422)(283.0815, 1665.8) 5 281.0724 281.0724@0.9192268 + 806.1665@0.91040665 0.91040665 (807.17316, 6627.5996)(808.1745, 2817.2268)(809.16925, 1600.91) 3 806.1665 806.1665@0.91040665 + 1074.1678@0.9225914 0.9225914 (1075.1748, 3121.3052)(1076.1792, 1497.065)(1077.1738, 1190.03)(1078.1562, 472.05) 2 1074.1678 1074.1678@0.9225914 + Methylnoradrenaline 0.8957567 C11768 Methylnoradrenaline [ C9 H13 N O3, mfg=74.17, db=74.15, overall=74.16, CAS ID=6539-57-7, KEGG ID=C11768, HMP ID=HMDB02832, METLIN ID=1217 ] 6539-57-7 (184.0969, 10128.0205)(185.09943, 1798.78)(166.088, 2589.18)(167.0826, 812.33) 8 183.0896 Methylnoradrenaline HMDB02832 + 794.0948@0.90436614 0.90436614 (795.1022, 2188.815)(796.1034, 1092.48)(797.1016, 736.2)(812.1284, 5202.377)(813.1314, 1967.5734)(814.12775, 1274.62)(817.0839, 1855.0133)(818.0878, 795.7)(819.0816, 723.56) 4 794.0948 794.0948@0.90436614 + 1085.0618@0.91121477 0.91121477 (1086.0734, 1485.6234)(1087.073, 974.3)(1068.0562, 2652.7532)(1069.0585, 1558.5)(1070.055, 1179.4767)(1071.0554, 495.12) 3 1085.0618 1085.0618@0.91121477 + 822.0152@0.8989354 0.8989354 (823.0251, 1842.1517)(824.02686, 1080.5734)(825.02106, 772.625)(805.0101, 2040.62)(806.0111, 949.3) 6 822.0152 822.0152@0.8989354 + 531.0482@0.91117 0.91117 (1080.1304, 1209.145)(1081.1273, 556.48)(1085.084, 909.80664)(532.0551, 1457.81) 3 531.0482 531.0482@0.91117 + 1191.7935@0.99473643 0.99473643 (1192.8003, 7441.2446)(1193.805, 6985.8813) 6 1191.7935 1191.7935@0.99473643 + 1173.7507@0.9944335 0.9944335 (1174.7622, 980.405)(1175.7673, 1098.285)(1176.779, 1936.09)(1177.782, 1326.63)(1178.786, 1032.39)(1191.7847, 1015.89) 2 1173.7507 1173.7507@0.9944335 + 1210.8074@0.99602664 0.99602664 (1211.8147, 24846.582)(1212.8171, 11314.461)(1213.8174, 3911.0063)(1214.8137, 1280.3275) 8 1210.8074 1210.8074@0.99602664 + 1214.7585@0.99461985 0.99461985 (1215.768, 2591.67)(1216.7684, 2237.6775)(1217.7712, 1121.5599) 4 1214.7585 1214.7585@0.99461985 + 1257.7911@0.99714935 0.99714935 (1258.7966, 2053.912)(1259.7979, 1629.382)(1260.802, 896.50256)(1240.7935, 727.76) 5 1257.7911 1257.7911@0.99714935 + 1226.8014@0.9952949 0.9952949 (1227.8087, 7240.43)(1228.8096, 3929.91)(1229.8057, 1697.09)(1230.8029, 976.15) 1 1226.8014 1226.8014@0.9952949 + 1151.7238@0.99925125 0.99925125 (1152.7316, 1896.9779)(1153.7361, 1579.6675)(1154.7463, 1587.8225)(1155.7513, 1268.07) 5 1151.7238 1151.7238@0.99925125 + 1150.315@1.0026004 1.0026004 (1151.3223, 6449.5903)(1152.3215, 3007.4421)(1153.319, 1840.4484)(1154.3187, 1099.34) 10 1150.315 1150.315@1.0026004 + 1296.3545@1.015705 1.015705 (1297.3618, 5956.0073)(1298.3799, 5364.0903)(1299.3593, 2557.6936)(1300.3649, 1529.7601) 11 1296.3545 1296.3545@1.015705 + 1293.3549@1.00424 1.00424 (1294.3613, 9716.385)(1295.3628, 11590.195)(1296.362, 12559.675)(1297.3616, 6990.81)(1298.3607, 5491.22)(1299.3593, 3097.03)(1300.3558, 1536.89) 2 1293.3549 1293.3549@1.00424 + 1129.2874@1.0072824 1.0072824 (1130.2946, 1732.64)(1131.2954, 1884.93)(1132.2914, 2813.75)(1133.2915, 2508.79)(1134.288, 1992.18) 1 1129.2874 1129.2874@1.0072824 + 817.1975@1.011278 1.011278 (818.2047, 2067.86)(819.1997, 1292.36)(820.2071, 4316.1)(821.2036, 2902.72)(822.1927, 3113.77) 1 817.1975 817.1975@1.011278 + 379.329@1.011278 1.011278 (380.3363, 3773.24)(381.3392, 1313.36) 1 379.329 379.329@1.011278 + 964.2755@1.0122771 1.0122771 (965.2885, 2069.82)(966.2845, 1851.22)(967.2896, 1625.94)(987.2625, 3074.43)(988.2566, 1342.13) 1 964.2755 964.2755@1.0122771 + 838.2252@1.0158176 1.0158176 (839.23224, 5003.124)(840.2296, 1851.7612)(841.219, 874.33) 10 838.2252 838.2252@1.0158176 + 747.1785@1.0152687 1.0152687 (748.1866, 2755.236)(749.18353, 1380.584)(750.18286, 846.405) 5 747.1785 747.1785@1.0152687 + 626.436@1.0296416 1.0296416 (627.4448, 3002.6465)(628.4445, 2900.89) 3 626.436 626.436@1.0296416 + 965.622@1.0157126 1.0157126 (966.62744, 1559.75)(967.6338, 906.95496) 2 965.622 965.622@1.0157126 + 707.5492@1.0162728 1.0162728 (708.5565, 1226.6)(709.5601, 939.02)(710.574, 2754.37)(711.5772, 1561.14) 1 707.5492 707.5492@1.0162728 + 429.0826@1.0162728 1.0162728 (430.0899, 1647.89) 1 429.0826 429.0826@1.0162728 + 762.3213@1.0182707 1.0182707 (763.3285, 2421.32)(764.3231, 929.31) 1 762.3213 762.3213@1.0182707 + 605.4886@1.0493532 1.0493532 (606.49603, 2885.3933)(607.5028, 1042.2) 3 605.4886 605.4886@1.0493532 + 915.3377@1.0232654 1.0232654 (916.3455, 2659.41)(917.368, 1328.86)(933.3719, 7102.54)(934.3761, 3325.42)(935.3817, 1077.57)(938.3252, 2349.44)(939.3325, 1492.05) 1 915.3377 915.3377@1.0232654 + 661.5634@1.023672 1.023672 (662.5716, 3611.9348)(663.57336, 2476.6455)(664.582, 1660.3955)(665.5903, 695.79) 12 661.5634 661.5634@1.023672 + 621.5367@1.0242642 1.0242642 (622.5404, 1372.48)(639.572, 3565.09) 1 621.5367 621.5367@1.0242642 + 639.5489@1.0309017 1.0309017 (640.55585, 2765.668)(641.5597, 1380.956)(642.5659, 3122.1958)(643.5694, 1298.35)(644.57056, 668.345) 5 639.5489 639.5489@1.0309017 + 629.1864@1.0298368 1.0298368 (630.19366, 47879.863)(631.19366, 20696.248)(632.19257, 8211.286)(633.1903, 2510.47) 3 629.1864 629.1864@1.0298368 + 628.1883@1.0307055 1.0307055 (629.1955, 51689.242)(630.1933, 20136.83)(631.1942, 9028.29) 4 628.1883 628.1883@1.0307055 + 572.4836@1.0322558 1.0322558 (573.4908, 1324.69) 1 572.4836 572.4836@1.0322558 + 765.4501@1.0352526 1.0352526 (766.4574, 4774.32)(767.4604, 2601.5) 1 765.4501 765.4501@1.0352526 + 1611.2542@1.0438702 1.0438702 (1612.2612, 18616.855)(1613.263, 6110.78)(1614.24, 5000.79)(1615.2373, 5035.12)(1616.246, 1255.18) 2 1611.2542 1611.2542@1.0438702 + 470.3402@1.0472395 1.0472395 (471.3475, 5407.67) 1 470.3402 470.3402@1.0472395 + 489.245@1.0482385 1.0482385 (490.2523, 3434.7)(491.2556, 1403.02) 1 489.245 489.245@1.0482385 + 701.3268@1.0491407 1.0491407 (702.3345, 1337.21)(703.3338, 665.18) 2 701.3268 701.3268@1.0491407 + 463.352@1.0628991 1.0628991 (464.35965, 6522.037)(465.3575, 4644.31)(466.354, 3037.19)(481.3895, 1697.48)(486.344, 11007.2)(487.3443, 5663.36) 8 463.352 463.352@1.0628991 + 621.4321@1.0715173 1.0715173 (622.4388, 1992.5499)(623.4452, 1552.93) 2 621.4321 621.4321@1.0715173 + 576.3416@1.0582275 1.0582275 (577.3512, 1057.56)(594.3739, 1699.0) 1 576.3416 576.3416@1.0582275 + 360.2147@1.0586342 1.0586342 (361.22318, 6085.6226)(378.24866, 2729.25)(383.2023, 1079.58) 4 360.2147 360.2147@1.0586342 + 673.4561@1.0612028 1.0612028 (674.4651, 8256.64)(675.4671, 3989.07)(676.4726, 2019.61) 4 673.4561 673.4561@1.0612028 + 841.7149@1.0583109 1.0583109 (842.7181, 2859.9827)(843.7253, 1897.775)(844.7383, 9558.667)(845.74133, 7340.7)(846.7545, 10703.75) 4 841.7149 841.7149@1.0583109 + 509.4772@1.0833443 1.0833443 (510.48657, 1542.3666)(511.48712, 886.03)(492.4739, 1180.22) 3 509.4772 509.4772@1.0833443 + 891.7896@1.0687236 1.0687236 (892.79297, 1148.8772)(893.79694, 730.5843)(894.8036, 742.65) 7 891.7896 891.7896@1.0687236 + 433.2854@1.0631511 1.0631511 (434.29254, 3848.515) 2 433.2854 433.2854@1.0631511 + 453.4167@1.1183215 1.1183215 (454.4236, 1664.24)(455.42676, 629.625) 7 453.4167 453.4167@1.1183215 + 745.4781@1.0683407 1.0683407 (746.48535, 2332.5967)(747.48566, 1442.45)(748.493, 1112.87) 3 745.4781 745.4781@1.0683407 + C17 H39 N3 O2 S3 1.0665714 [ C17 H39 N3 O2 S3, mfg=47.62, overall=47.62 ] (414.2277, 5835.835)(396.2216, 932.01) 14 413.2208 C17 H39 N3 O2 S3 + 447.2857@1.0677493 1.0677493 (448.29132, 3781.528)(449.28775, 2071.4)(450.2861, 2639.08)(465.32025, 3589.4702)(466.3228, 2652.42) 5 447.2857 447.2857@1.0677493 + 457.3397@1.0687842 1.0687842 (915.6894, 536.83)(916.681, 524.35)(458.3469, 9237.23)(459.34558, 5197.7925)(460.3586, 10324.099)(440.33484, 2713.38) 13 457.3397 457.3397@1.0687842 + 556.2985@1.0652199 1.0652199 (557.3058, 1709.33)(558.3133, 1139.3) 1 556.2985 556.2985@1.0652199 + 491.4137@1.0662187 1.0662187 (492.418, 1834.03)(514.4043, 3184.44) 1 491.4137 491.4137@1.0662187 + 605.5047@1.0682839 1.0682839 (606.50653, 2518.2532)(607.507, 1407.675)(628.494, 2814.28)(629.5064, 1670.06) 3 605.5047 605.5047@1.0682839 + 284.2147@1.0731469 1.0731469 (285.22095, 6255.496)(286.23425, 4478.97) 5 284.2147 284.2147@1.0731469 + 525.3649@1.0698614 1.0698614 (526.37103, 4183.318)(527.381, 2071.9326)(528.381, 5292.4)(508.3565, 3190.61) 5 525.3649 525.3649@1.0698614 + 597.4622@1.0688874 1.0688874 (598.4669, 3149.5364)(599.4735, 2023.84)(600.464, 3422.65)(601.4609, 1280.69)(602.4702, 3046.61) 3 597.4622 597.4622@1.0688874 + 270.1986@1.0682166 1.0682166 (558.4312, 4899.0)(559.4359, 2719.72)(271.2056, 3560.33) 1 270.1986 270.1986@1.0682166 + 362.2486@1.0682166 1.0682166 (363.2558, 4106.64)(364.2682, 2356.87) 1 362.2486 362.2486@1.0682166 + 439.3294@1.0707089 1.0707089 (440.33795, 2794.5579) 5 439.3294 439.3294@1.0707089 + 344.2252@1.0763899 1.0763899 (345.23718, 4277.0146)(362.2586, 6070.0) 2 344.2252 344.2252@1.0763899 + 721.4392@1.0702143 1.0702143 (722.4465, 1678.87)(723.4546, 1208.89)(724.4435, 1135.43) 1 721.4392 721.4392@1.0702143 + 689.4515@1.0730956 1.0730956 (690.4592, 2883.0376)(691.46545, 1578.9099)(692.4664, 1393.96) 4 689.4515 689.4515@1.0730956 + 1135.3018@1.0736834 1.0736834 (1136.3098, 2238.52)(1137.3086, 1018.93)(1138.3046, 619.81) 3 1135.3018 1135.3018@1.0736834 + 286.2292@1.0713077 1.0713077 (287.23593, 2281.91)(288.2408, 1102.42) 7 286.2292 286.2292@1.0713077 + 625.5975@1.0722121 1.0722121 (626.6048, 1758.8)(627.6088, 926.69) 1 625.5975 625.5975@1.0722121 + 442.2603@1.0752728 1.0752728 (443.26825, 3880.4) 2 442.2603 442.2603@1.0752728 + 395.3741@1.0722121 1.0722121 (396.3813, 1967.29) 1 395.3741 395.3741@1.0722121 + 386.2474@1.077882 1.077882 (387.25244, 4911.66) 2 386.2474 386.2474@1.077882 + 412.3591@1.1131637 1.1131637 (413.36093, 2621.468)(414.36, 1503.5701)(435.3491, 4038.26) 5 412.3591 412.3591@1.1131637 + 292.2378@1.0758551 1.0758551 (585.48236, 2073.495)(293.24536, 4036.4836)(294.2542, 3148.66)(310.27478, 1019.75) 8 292.2378 292.2378@1.0758551 + 642.4148@1.0786115 1.0786115 (643.42255, 3954.7363)(644.42303, 3003.0525)(645.4262, 2181.04)(660.4482, 2446.74)(665.4075, 1445.61) 6 642.4148 642.4148@1.0786115 + 794.5307@1.0752088 1.0752088 (795.5382, 2007.76)(796.5387, 1742.08)(777.5262, 1463.28)(778.5408, 1020.63)(812.5651, 1949.48)(813.5584, 1080.16) 1 794.5307 794.5307@1.0752088 + 358.1423@1.0781827 1.0781827 (359.14975, 1263.0725)(376.17615, 3859.9375)(377.1873, 2404.89) 4 358.1423 358.1423@1.0781827 + 459.4276@1.0806503 1.0806503 (460.4344, 4767.295)(461.43768, 1738.1699)(462.4297, 8006.9)(463.4326, 3595.32) 2 459.4276 459.4276@1.0806503 + 381.242@1.1277413 1.1277413 (763.492, 1180.34)(764.4888, 862.82)(382.2479, 3494.53)(383.2576, 1890.58) 3 381.242 381.242@1.1277413 + 288.2071@1.083623 1.083623 (289.21478, 3499.8333)(290.2173, 1186.4199) 3 288.2071 288.2071@1.083623 + 793.7142@1.0805653 1.0805653 (794.72205, 2972.8655)(795.7248, 1455.5951)(796.734, 1400.684) 11 793.7142 793.7142@1.0805653 + 481.3299@1.0802032 1.0802032 (482.3372, 3076.76) 1 481.3299 481.3299@1.0802032 + 288.1383@1.1099017 1.1099017 (289.14456, 2500.1533)(290.145, 1043.99) 3 288.1383 288.1383@1.1099017 + 604.7368@1.0812021 1.0812021 (605.7441, 1310.93) 1 604.7368 604.7368@1.0812021 + 1585.2511@1.0831999 1.0831999 (1586.2584, 2682.37)(1587.2585, 2021.54)(1588.2549, 1687.33) 1 1585.2511 1585.2511@1.0831999 + 426.349@1.0909386 1.0909386 (427.3557, 13643.726)(428.35516, 6033.883)(429.3662, 4346.46)(449.3371, 5494.24) 23 426.349 426.349@1.0909386 + 561.4176@1.0768168 1.0768168 (562.42664, 3998.582)(563.4283, 4944.17)(544.4173, 5712.11)(545.4134, 3263.53)(584.4159, 8211.53)(585.4207, 3141.0) 5 561.4176 561.4176@1.0768168 + 584.2633@1.0829664 1.0829664 (585.2709, 7708.2563)(586.27423, 3059.276)(587.2805, 1909.895) 5 584.2633 584.2633@1.0829664 + 1580.2543@1.0861965 1.0861965 (1581.2615, 1384.28)(1582.2623, 1768.34)(1583.2582, 2267.42)(1584.2603, 2619.4)(1585.2579, 2998.04) 1 1580.2543 1580.2543@1.0861965 + 235.2144@1.0871955 1.0871955 (236.2216, 5989.42)(237.2234, 2236.11) 1 235.2144 235.2144@1.0871955 + 796.5476@1.0895815 1.0895815 (797.5552, 7499.6895)(798.5572, 3319.46)(799.5557, 1480.56)(779.5433, 3611.27)(780.5501, 2075.81)(781.5439, 1135.02)(819.5414, 812.91) 2 796.5476 796.5476@1.0895815 + 797.5506@1.0911448 1.0911448 (798.559, 4616.1953)(799.55804, 1979.25)(800.5479, 1254.33) 2 797.5506 797.5506@1.0911448 + 841.5344@1.0950801 1.0950801 (842.54315, 2125.325)(843.5492, 968.16003) 2 841.5344 841.5344@1.0950801 + 576.1265@1.0948821 1.0948821 (577.1332, 2497.2)(578.1363, 1130.8885)(594.16187, 1576.0) 12 576.1265 576.1265@1.0948821 + 284.2755@1.1019017 1.1019017 (285.2799, 4139.5127)(286.28033, 1226.0634) 4 284.2755 284.2755@1.1019017 + 782.5308@1.0964293 1.0964293 (783.5382, 1849.955)(784.5344, 1387.52) 2 782.5308 782.5308@1.0964293 + 327.9972@1.1011673 1.1011673 (329.00467, 1637.385) 4 327.9972 327.9972@1.1011673 + 436.3201@1.0885683 1.0885683 (437.32242, 3419.3884)(438.3265, 3017.39)(454.3509, 4152.1104)(459.3115, 3690.25) 6 436.3201 436.3201@1.0885683 + 380.2899@1.107173 1.107173 (381.2972, 135618.56)(382.3003, 32091.65) 1 380.2899 380.2899@1.107173 + 454.357@1.1087927 1.1087927 (455.36807, 3500.2434)(456.3686, 2856.7) 3 454.357 454.357@1.1087927 + 407.1734@1.1040865 1.1040865 (408.18066, 4752.831)(409.18518, 2211.6716)(410.19052, 1281.58) 8 407.1734 407.1734@1.1040865 + 229.1678@1.1120306 1.1120306 (230.17491, 5188.9565)(231.17493, 1526.4467) 3 229.1678 229.1678@1.1120306 + 282.2664@1.1131661 1.1131661 (283.2736, 8837.24) 1 282.2664 282.2664@1.1131661 + 399.3261@1.0858092 1.0858092 (400.3313, 4243.695)(422.3157, 10299.6)(423.3169, 5357.04)(424.3162, 2534.88) 4 399.3261 399.3261@1.0858092 + 396.317@1.0968156 1.0968156 (397.32236, 2501.22) 2 396.317 396.317@1.0968156 + 409.2348@1.114447 1.114447 (410.23602, 8132.9)(411.24466, 3325.885)(427.26654, 4147.9)(428.2795, 3261.63) 4 409.2348 409.2348@1.114447 + 774.4981@1.1211569 1.1211569 (775.5053, 1327.98)(776.5205, 1141.44) 1 774.4981 774.4981@1.1211569 + 695.5738@1.1221559 1.1221559 (696.5783, 1269.41)(678.5753, 1596.12)(718.5623, 5967.62) 1 695.5738 695.5738@1.1221559 + 551.4033@1.2012371 1.2012371 (552.4135, 2665.8723)(553.4133, 1739.5801)(554.41095, 2516.59)(574.38654, 963.22003)(575.4006, 211.41)(576.3975, 2417.45) 14 551.4033 551.4033@1.2012371 + 529.1845@1.1244144 1.1244144 (530.1923, 3965.9766)(531.1946, 2170.655) 3 529.1845 529.1845@1.1244144 + 327.3127@1.1241536 1.1241536 (328.32, 4611.34)(329.3235, 1060.23) 1 327.3127 327.3127@1.1241536 + C25 H49 Cl N O4 1.1499423 [ C25 H49 Cl N O4, mfg=47.62, overall=47.62 ] (463.34235, 6660.8745)(464.35382, 2727.009)(465.35535, 4874.395)(445.3311, 1666.08)(480.37064, 2940.3)(485.32422, 2925.646) 23 462.3356 C25 H49 Cl N O4 + 717.6169@1.1234571 1.1234571 (718.62335, 1993.8534) 3 717.6169 717.6169@1.1234571 + 614.4527@1.1065447 1.1065447 (615.45935, 3674.7524)(616.45935, 2695.7925)(617.474, 3542.645) 4 614.4527 614.4527@1.1065447 + 457.303@1.1266385 1.1266385 (458.31055, 5020.2925)(459.31644, 2569.1301)(460.3243, 5007.42)(440.2966, 2092.62) 4 457.303 457.303@1.1266385 + 273.1564@1.1964633 1.1964633 (564.3458, 2278.63)(565.35284, 1122.355)(274.16525, 3118.19)(275.16272, 1496.4)(291.1956, 3147.79)(292.1899, 1710.14) 5 273.1564 273.1564@1.1964633 + 341.2552@1.0979688 1.0979688 (342.2644, 2093.0898) 2 341.2552 341.2552@1.0979688 + 647.5449@1.1316884 1.1316884 (648.5493, 2720.851)(649.55334, 1202.575)(650.56647, 1479.1001) 10 647.5449 647.5449@1.1316884 + 878.7338@1.169771 1.169771 (879.7405, 2770.505)(880.7439, 1827.27)(881.7546, 3088.18)(882.7604, 1509.77)(883.7625, 274.0)(896.767, 1210.83)(897.7706, 998.16)(898.7851, 5032.77)(899.7887, 2910.21) 2 878.7338 878.7338@1.169771 + 802.4825@1.1392075 1.1392075 (803.4894, 1680.2925)(804.49286, 1306.175)(805.4955, 779.995) 4 802.4825 802.4825@1.1392075 + 838.5505@1.1381375 1.1381375 (839.5578, 1015.75)(840.5621, 673.12) 1 838.5505 838.5505@1.1381375 + 566.2939@1.1391363 1.1391363 (567.3011, 1094.26) 1 566.2939 566.2939@1.1391363 + 601.5059@1.1411339 1.1411339 (602.5132, 2317.6)(603.5183, 1299.45) 1 601.5059 601.5059@1.1411339 + 162.1404@1.1246527 1.1246527 (163.14738, 5330.45)(164.15019, 1153.6134)(180.17404, 884.05) 4 162.1404 162.1404@1.1246527 + 549.4188@1.0918343 1.0918343 (550.42395, 2453.12)(551.4347, 1788.35)(567.4436, 1700.57) 2 549.4188 549.4188@1.0918343 + 135.014@1.1431317 1.1431317 (136.0212, 2567.81) 1 135.014 135.014@1.1431317 + 360.3215@1.1428295 1.1428295 (361.32437, 3931.9531)(362.3357, 1939.56)(378.3562, 8244.675)(379.3611, 2204.42) 3 360.3215 360.3215@1.1428295 + 509.2467@1.146128 1.146128 (510.254, 1489.96)(511.273, 738.69) 1 509.2467 509.2467@1.146128 + 117.0579@1.1447217 1.1447217 (118.06534, 3818.1765)(119.0643, 1809.78) 8 117.0579 117.0579@1.1447217 + 284.0684@1.1448447 1.1448447 (285.07553, 3494.72)(286.07874, 962.85) 4 284.0684 284.0684@1.1448447 + 670.3036@1.1027682 1.1027682 (671.3113, 3423.9106)(672.315, 1645.2018)(673.3231, 944.37)(688.3366, 1237.0475)(689.3363, 886.89) 20 670.3036 670.3036@1.1027682 + 285.1587@1.149161 1.149161 (286.16534, 3901.754)(287.1627, 1670.4401)(288.1587, 988.74)(303.1904, 1639.06) 5 285.1587 285.1587@1.149161 + 70.0801@1.137843 1.137843 (158.1886, 3132.13)(163.1475, 3700.8342)(164.1516, 1213.87)(71.08539, 1726.6151)(93.06966, 14033.075)(94.071655, 2112.21) 8 70.0801 70.0801@1.137843 + 169.0916@1.2061671 1.2061671 (170.09741, 9888.255)(171.1023, 5163.51) 2 169.0916 169.0916@1.2061671 + 239.2604@1.1521212 1.1521212 (240.2677, 1639.44) 1 239.2604 239.2604@1.1521212 + 439.2045@1.1522624 1.1522624 (440.2109, 3095.415)(457.2389, 4398.18) 2 439.2045 439.2045@1.1522624 + 282.2683@1.155122 1.155122 (283.2764, 9132.12) 2 282.2683 282.2683@1.155122 + 482.2447@1.1541188 1.1541188 (483.252, 2327.39)(484.258, 1132.72) 1 482.2447 482.2447@1.1541188 + 527.2677@1.1537608 1.1537608 (528.2772, 1647.645) 2 527.2677 527.2677@1.1537608 + 354.332@1.1705834 1.1705834 (355.3392, 21372.879)(356.34406, 6349.58) 4 354.332 354.332@1.1705834 + 312.1677@1.2260058 1.2260058 (313.17654, 3137.8325)(314.1773, 1191.275)(295.1642, 5309.55)(335.156, 1350.96)(336.1483, 591.0) 4 312.1677 312.1677@1.2260058 + 553.3497@1.1971269 1.1971269 (554.35065, 1301.22)(555.3563, 989.85) 2 553.3497 553.3497@1.1971269 + 248.1984@1.1625996 1.1625996 (249.2053, 7146.5557)(250.2051, 2491.65)(266.2329, 3183.6)(271.1908, 3117.32) 7 248.1984 248.1984@1.1625996 + 396.2871@1.160358 1.160358 (397.2923, 6532.145)(398.29276, 2372.5884)(414.3209, 18928.13)(419.2757, 1915.03) 8 396.2871 396.2871@1.160358 + 435.3363@1.1580061 1.1580061 (436.34634, 3989.855) 2 435.3363 435.3363@1.1580061 + 395.2338@1.1631083 1.1631083 (396.2411, 6320.93) 1 395.2338 395.2338@1.1631083 + 352.2479@1.1641071 1.1641071 (353.2552, 7418.76) 1 352.2479 352.2479@1.1641071 + 237.1575@1.1777279 1.1777279 (238.16467, 6812.172) 5 237.1575 237.1575@1.1777279 + 740.5964@1.1942106 1.1942106 (741.60614, 2115.198)(742.6063, 2482.07)(763.5813, 2100.7) 5 740.5964 740.5964@1.1942106 + 461.4071@1.1880786 1.1880786 (462.4144, 7828.25)(463.4176, 2675.17) 1 461.4071 461.4071@1.1880786 + 576.4028@1.1301985 1.1301985 (577.4043, 1849.0725)(578.40753, 1225.8033)(579.4193, 1624.63)(559.401, 3934.69) 4 576.4028 576.4028@1.1301985 + 436.24@1.1820453 1.1820453 (437.25, 7004.5)(438.25232, 2382.4167)(439.2602, 1511.85)(454.2697, 1016.77) 6 436.24 436.24@1.1820453 + 431.2879@1.1325209 1.1325209 (432.2919, 17690.695)(433.292, 6366.785)(434.2939, 2922.22) 2 431.2879 431.2879@1.1325209 + 330.1838@1.1968926 1.1968926 (331.19046, 8681.936)(332.19638, 4393.223)(348.2159, 3405.51)(353.1769, 4130.97) 9 330.1838 330.1838@1.1968926 + 391.1765@1.1950701 1.1950701 (392.1837, 2821.15) 1 391.1765 391.1765@1.1950701 + 418.365@1.2243189 1.2243189 (419.37158, 3927.475)(436.39902, 11693.155)(437.40182, 3504.8474)(441.35126, 6498.91) 4 418.365 418.365@1.2243189 + 96.0574@1.1698263 1.1698263 (193.12267, 5535.262)(210.151, 4047.765)(97.064705, 5485.5083)(98.067505, 1695.1967)(79.0538, 1403.34) 10 96.0574 96.0574@1.1698263 + 271.2143@1.2655754 1.2655754 (272.2203, 4550.9)(273.22238, 1580.12) 3 271.2143 271.2143@1.2655754 + 296.1616@1.2007254 1.2007254 (297.1682, 5239.48)(298.16547, 1655.285)(314.19452, 2019.03)(319.153, 1698.0) 2 296.1616 296.1616@1.2007254 + 695.5162@1.206057 1.206057 (696.5235, 1242.57) 1 695.5162 695.5162@1.206057 + 285.2663@1.2131902 1.2131902 (286.2734, 3228.7034) 3 285.2663 285.2663@1.2131902 + 408.2603@1.2080545 1.2080545 (409.2676, 3235.32)(410.2807, 1771.85)(411.2699, 3523.12) 1 408.2603 408.2603@1.2080545 + 291.147@1.212189 1.212189 (292.15613, 7002.015)(314.1402, 1420.95) 4 291.147 291.147@1.212189 + 477.3314@1.2021861 1.2021861 (478.33823, 4888.6777)(479.33466, 2499.5298)(480.33478, 2795.6025)(500.31934, 1428.2367) 18 477.3314 477.3314@1.2021861 + 169.1468@1.2100521 1.2100521 (170.1541, 6746.87) 1 169.1468 169.1468@1.2100521 + 397.2708@1.2154816 1.2154816 (398.27734, 6211.502)(399.27527, 3358.673)(400.2697, 1746.155) 6 397.2708 397.2708@1.2154816 + 433.2366@1.2321469 1.2321469 (434.23965, 3964.13)(435.2415, 1146.07)(451.2734, 1304.32)(456.2246, 1239.525) 3 433.2366 433.2366@1.2321469 + 264.1366@1.211645 1.211645 (265.14355, 5069.935)(266.1418, 1341.32) 2 264.1366 264.1366@1.211645 + 304.1903@1.215046 1.215046 (305.1978, 2917.32)(322.2233, 8101.58)(327.1815, 3376.65) 1 304.1903 304.1903@1.215046 + 262.1562@1.148649 1.148649 (525.3124, 1066.34)(547.3005, 597.79)(263.16333, 4284.8433)(264.164, 2076.8667)(285.1464, 2204.7) 6 262.1562 262.1562@1.148649 + 306.2032@1.2603583 1.2603583 (307.21115, 2948.38)(324.23694, 8932.91)(325.23785, 3623.375) 2 306.2032 306.2032@1.2603583 + 230.1627@1.2210387 1.2210387 (231.17, 5065.02) 1 230.1627 230.1627@1.2210387 + 445.3101@1.248185 1.248185 (446.31308, 2389.11)(463.3426, 3644.25) 3 445.3101 445.3101@1.248185 + 239.2243@1.183335 1.183335 (240.2298, 3525.875) 2 239.2243 239.2243@1.183335 + 108.0939@1.1658263 1.1658263 (217.19461, 978.315)(109.10112, 13785.469)(110.10408, 1486.8971)(131.0835, 2917.03) 11 108.0939 108.0939@1.1658263 + 341.1543@1.2485447 1.2485447 (342.162, 5036.7197)(343.1627, 2056.6868)(344.16214, 1953.3867) 8 341.1543 341.1543@1.2485447 + 484.4231@1.2300277 1.2300277 (485.4304, 2708.24)(486.4333, 1209.89) 1 484.4231 484.4231@1.2300277 + 249.031@1.2310265 1.2310265 (250.0383, 4296.94) 1 249.031 249.031@1.2310265 + 155.0734@1.2413604 1.2413604 (333.1349, 1893.16)(156.08044, 8225.08)(157.0881, 3672.77) 2 155.0734 155.0734@1.2413604 + 145.0528@1.28496 1.28496 (146.06021, 10832.319)(147.06177, 1378.47) 5 145.0528 145.0528@1.28496 + 220.1672@1.2441556 1.2441556 (221.1745, 5679.97)(222.17686, 1578.68)(223.1691, 4838.21) 4 220.1672 220.1672@1.2441556 + 407.2075@1.2405114 1.2405114 (408.21533, 11140.143)(409.2193, 4375.582)(430.19742, 2809.835)(431.20615, 1618.0) 11 407.2075 407.2075@1.2405114 + 221.0466@1.2490042 1.2490042 (222.0533, 2489.78)(239.0806, 5798.55) 1 221.0466 221.0466@1.2490042 + 505.4337@1.2500031 1.2500031 (506.441, 15477.14)(507.4442, 5431.54) 1 505.4337 505.4337@1.2500031 + 540.3946@1.2559955 1.2559955 (541.4019, 1923.47) 1 540.3946 540.3946@1.2559955 + 160.126@1.2569942 1.2569942 (321.26, 13839.06)(322.2658, 5760.63)(323.2478, 8010.35)(161.1324, 3461.62) 1 160.126 160.126@1.2569942 + 463.2784@1.255016 1.255016 (464.28647, 3025.954)(465.2831, 1705.27)(446.2724, 2287.11)(481.3117, 1650.2)(486.2664, 979.59) 5 463.2784 463.2784@1.255016 + 846.4411@1.2474437 1.2474437 (847.4479, 2433.1802)(848.45105, 1432.11)(849.4533, 1033.35) 2 846.4411 846.4411@1.2474437 + 683.502@1.2569942 1.2569942 (684.5092, 1436.07)(685.5213, 794.65) 1 683.502 683.502@1.2569942 + 598.4446@1.2589917 1.2589917 (599.4519, 1732.88) 1 598.4446 598.4446@1.2589917 + 413.3001@1.2589917 1.2589917 (414.3098, 2371.43)(396.2962, 12648.22)(397.3, 5608.51) 1 413.3001 413.3001@1.2589917 + 304.2398@1.2599906 1.2599906 (626.5149, 1776.76)(627.5091, 1127.35)(305.2462, 5023.15)(306.2408, 3209.53)(307.2467, 7115.82) 1 304.2398 304.2398@1.2599906 + 395.3238@1.303825 1.303825 (396.3314, 11088.561)(397.3379, 3512.435) 2 395.3238 395.3238@1.303825 + 150.0934@1.2629868 1.2629868 (151.1007, 11130.42)(152.1064, 1713.15)(153.0917, 7755.38) 1 150.0934 150.0934@1.2629868 + 485.3671@1.2563336 1.2563336 (486.37653, 1841.575)(487.37265, 1158.835)(488.3573, 4571.27)(489.359, 2009.84)(490.3618, 2861.39) 2 485.3671 485.3671@1.2563336 + 397.3037@1.2552276 1.2552276 (398.3117, 8870.92)(399.32068, 3262.7747)(400.30524, 4779.695)(401.3071, 940.26) 9 397.3037 397.3037@1.2552276 + 469.3271@1.2579427 1.2579427 (470.32675, 2375.4434)(452.3146, 2365.57)(487.3549, 2016.08)(492.3169, 12118.86)(493.3204, 4424.24) 3 469.3271 469.3271@1.2579427 + 317.1873@1.2597771 1.2597771 (318.19324, 5479.76)(319.19122, 2352.13)(335.2228, 3098.67) 2 317.1873 317.1873@1.2597771 + 761.5248@1.2584553 1.2584553 (762.5313, 1829.0132)(763.5344, 1306.675)(764.54944, 2634.53)(765.5574, 829.73)(779.5576, 1220.7) 3 761.5248 761.5248@1.2584553 + 243.22@1.2639855 1.2639855 (244.2273, 537419.4)(245.2303, 86553.81)(246.2326, 8543.43)(247.2332, 1746.24) 1 243.22 243.22@1.2639855 + 549.4598@1.1691387 1.1691387 (550.4696, 5727.905)(551.47485, 2724.1675)(552.4895, 1521.5549) 4 549.4598 549.4598@1.1691387 + 164.1194@1.2428707 1.2428707 (329.2474, 1686.79)(165.12686, 6022.8237)(166.12547, 1953.36)(182.1547, 2025.74) 8 164.1194 164.1194@1.2428707 + 752.6271@1.2595899 1.2595899 (753.6334, 4979.0312)(754.6354, 2461.4512)(755.6395, 2539.372)(756.6382, 3196.79)(735.6264, 3265.66)(736.6263, 1665.53)(737.6387, 5241.39)(738.643, 2521.49)(739.6533, 2600.27)(740.6536, 1083.42)(775.612, 1557.5166)(776.6129, 1002.45496)(777.6268, 827.4) 8 752.6271 752.6271@1.2595899 + C16 H28 O3 + 1.2523128 1.2523128 [ C16 H28 O3, mfg=72.91, overall=72.91 ] (537.4148, 1273.74)(554.44165, 2048.94)(559.3985, 824.27)(269.2115, 11065.894)(270.2081, 2241.37)(286.2414, 2760.43) 15 268.2041 C16 H28 O3 + 1.2523128 + 246.148@1.2489833 1.2489833 (247.15555, 12956.6)(248.15466, 4154.64)(249.1586, 6605.49)(264.1815, 12000.87)(269.1365, 9498.53)(270.14, 1932.53) 4 246.148 246.148@1.2489833 + 344.2453@1.2689792 1.2689792 (345.2526, 9053.39)(346.2513, 4197.32) 1 344.2453 344.2453@1.2689792 + (±)-Limonene 1.2596614 (±)-Limonene [ C10 H16, mfg=47.60, db=46.55, overall=47.07, CAS ID=138-86-3, METLIN ID=84976 ] 138-86-3 (290.281, 753.54)(137.13206, 3207.0498)(159.11436, 1757.8701) 8 136.1247 (±)-Limonene + 308.2903@1.2560467 1.2560467 (309.29205, 5715.652)(310.29904, 1911.4149) 5 308.2903 308.2903@1.2560467 + 780.5752@1.2604423 1.2604423 (781.58264, 4792.6685)(782.5797, 2669.5312)(783.58075, 1583.3466)(798.6116, 659.07) 11 780.5752 780.5752@1.2604423 + 622.5262@1.266846 1.266846 (623.53455, 2036.145)(624.536, 1196.685)(625.5198, 2591.285) 2 622.5262 622.5262@1.266846 + C3 H6 N3 1.2622235 [ C3 H6 N3, mfg=67.73, overall=33.87 ] (169.1237, 7622.853)(170.11984, 2740.9727)(186.1487, 30991.98)(187.151, 4264.95)(85.06473, 3422.8135)(67.05404, 1146.1434)(102.0911, 11273.561)(103.093796, 1090.2561)(107.0482, 804.54) 17 84.0573 C3 H6 N3 + 239.2612@1.2683805 1.2683805 (240.26868, 2050.6135) 3 239.2612 239.2612@1.2683805 + 278.086@1.2661763 1.2661763 (279.0939, 6468.7383)(280.09872, 1890.2163)(281.08716, 1292.6799) 8 278.086 278.086@1.2661763 + 165.1152@1.266697 1.266697 (331.23685, 3092.7998)(166.12245, 3029.8398) 2 165.1152 165.1152@1.266697 + 286.0563@1.2675091 1.2675091 (287.06467, 2526.0842) 7 286.0563 286.0563@1.2675091 + 315.2411@1.2749717 1.2749717 (631.4904, 1109.67)(632.4796, 770.98)(633.484, 1600.06)(316.248, 1750.12) 1 315.2411 315.2411@1.2749717 + 462.262@1.2695446 1.2695446 (463.26776, 2152.9)(445.2592, 7953.82)(446.2678, 4123.27) 2 462.262 462.262@1.2695446 + 268.2513@1.2766265 1.2766265 (269.25818, 3718.67)(270.27, 1123.55) 2 268.2513 268.2513@1.2766265 + 141.1152@1.2829616 1.2829616 (142.1225, 11099.17) 1 141.1152 141.1152@1.2829616 + 729.5572@1.2718275 1.2718275 (730.56555, 4009.2651)(731.57336, 1967.785)(732.5488, 9374.15) 2 729.5572 729.5572@1.2718275 + 1079.7882@1.2694131 1.2694131 (1080.7963, 1640.5267)(1081.8013, 1049.374) 6 1079.7882 1079.7882@1.2694131 + 155.0741@1.297369 1.297369 (333.1338, 648.01)(156.08093, 13724.56) 4 155.0741 155.0741@1.297369 + 905.6654@1.2691956 1.2691956 (906.67206, 1636.0272)(907.6753, 921.3939) 7 905.6654 905.6654@1.2691956 + 789.5808@1.2744545 1.2744545 (790.58887, 4656.4233)(791.5966, 2251.1833)(792.59296, 1096.3934) 3 789.5808 789.5808@1.2744545 + 732.5423@1.2909515 1.2909515 (733.5496, 6130.52)(734.5535, 2678.59)(735.5455, 584.04) 1 732.5423 732.5423@1.2909515 + 461.3461@1.2949463 1.2949463 (462.3534, 4321.9)(463.3531, 1071.39)(464.3571, 2912.56) 1 461.3461 461.3461@1.2949463 + 210.0879@1.295945 1.295945 (211.0951, 6566.41)(212.0996, 1052.91) 1 210.0879 210.0879@1.295945 + 615.4553@1.2793195 1.2793195 (616.46313, 25341.719)(617.47375, 10213.695)(618.4751, 3618.54) 2 615.4553 615.4553@1.2793195 + 170.0692@1.2981638 1.2981638 (171.07643, 7820.8926)(172.07724, 1041.54)(173.0793, 1978.35)(153.066, 1846.0) 4 170.0692 170.0692@1.2981638 + 258.1982@1.3075925 1.3075925 (259.20572, 2262.7725)(241.1963, 858.28)(276.2291, 1108.89) 4 258.1982 258.1982@1.3075925 + 557.414@1.2883782 1.2883782 (558.42145, 16042.493)(559.42334, 5279.17)(560.4234, 3858.907)(561.4203, 2122.56) 4 557.414 557.414@1.2883782 + 279.0411@1.3039347 1.3039347 (280.0483, 4825.85)(281.0513, 842.3) 1 279.0411 279.0411@1.3039347 + 223.1469@1.3249077 1.3249077 (224.1544, 6125.88)(206.1432, 1813.32) 1 223.1469 223.1469@1.3249077 + 593.4858@1.3338959 1.3338959 (594.4931, 6941.83)(595.4963, 2062.37)(596.5087, 3963.05) 1 593.4858 593.4858@1.3338959 + 207.0534@1.3348945 1.3348945 (208.0606, 3078.97) 1 207.0534 207.0534@1.3348945 + 287.0098@1.3358933 1.3358933 (288.017, 11796.56)(289.0204, 1016.56)(290.0197, 937.22)(309.9994, 4583.67)(311.0028, 900.59) 1 287.0098 287.0098@1.3358933 + 330.9738@1.3358933 1.3358933 (331.9811, 1193.34) 1 330.9738 330.9738@1.3358933 + 183.1623@1.3501669 1.3501669 (184.16959, 8411.441)(185.17093, 1446.2614)(166.15884, 2554.455) 9 183.1623 183.1623@1.3501669 + 381.2726@1.3213503 1.3213503 (382.28104, 4082.362)(383.2835, 1370.914) 10 381.2726 381.2726@1.3213503 + 1352.362@1.3422707 1.3422707 (1353.3689, 3209.6)(1354.3679, 2126.272)(1355.3672, 1498.082)(1356.3666, 447.39664) 5 1352.362 1352.362@1.3422707 + 751.5547@1.3332576 1.3332576 (752.563, 2827.125)(753.5659, 1354.3467) 4 751.5547 751.5547@1.3332576 + 151.12@1.3718457 1.3718457 (152.1273, 4798.94)(153.1332, 923.23)(154.1234, 922.5) 1 151.12 151.12@1.3718457 + 197.1777@1.3476746 1.3476746 (198.18471, 11022.71)(199.18593, 2027.1475)(180.17444, 3218.185) 4 197.1777 197.1777@1.3476746 + 286.0568@1.3654394 1.3654394 (287.06378, 5011.156)(288.0669, 1018.18445) 12 286.0568 286.0568@1.3654394 + 381.3084@1.3393322 1.3393322 (382.31497, 10025.88)(383.3229, 2086.7266)(384.3103, 23161.83) 6 381.3084 381.3084@1.3393322 + 345.1618@1.3978108 1.3978108 (346.1691, 2104.88)(347.1743, 593.29)(368.1515, 584.09) 1 345.1618 345.1618@1.3978108 + 169.0536@1.4224116 1.4224116 (170.06374, 4229.3984)(171.07031, 1065.5516)(172.0591, 1158.065) 6 169.0536 169.0536@1.4224116 + 58.0424@1.4087957 1.4087957 (117.0913, 12735.71)(59.05, 8441.8) 1 58.0424 58.0424@1.4087957 + 565.3814@1.3831364 1.3831364 (566.389, 1713.25)(567.3932, 941.49)(588.3731, 553.32) 3 565.3814 565.3814@1.3831364 + 513.4029@1.4207795 1.4207795 (514.41, 5630.06)(515.4124, 2437.39)(536.3961, 627.59) 1 513.4029 513.4029@1.4207795 + 436.2477@1.4247739 1.4247739 (437.255, 837.49) 1 436.2477 436.2477@1.4247739 + 549.4589@1.4257725 1.4257725 (550.4662, 2356.93)(551.4719, 876.18) 1 549.4589 549.4589@1.4257725 + 525.4238@1.4277698 1.4277698 (526.431, 4887.35)(527.4301, 2417.95) 1 525.4238 525.4238@1.4277698 + 493.1845@1.3951001 1.3951001 (494.19162, 5360.446)(495.1966, 1946.1461)(496.201, 1028.32)(516.1738, 2676.2185)(517.1778, 1013.8039)(518.1838, 572.86) 11 493.1845 493.1845@1.3951001 + 311.1952@1.3610603 1.3610603 (312.20227, 15279.486)(313.20404, 1292.21) 4 311.1952 311.1952@1.3610603 + 499.3714@1.4574252 1.4574252 (500.37775, 4108.8203)(501.37976, 1352.7324)(502.3743, 2336.31)(503.3768, 474.05) 4 499.3714 499.3714@1.4574252 + 457.3401@1.4697113 1.4697113 (458.3474, 30340.4)(459.3507, 8154.98)(460.3528, 1543.45) 1 457.3401 457.3401@1.4697113 + 123.069@1.4717085 1.4717085 (124.0777, 5287.14)(106.0652, 15210.99)(107.0703, 1470.56) 1 123.069 123.069@1.4717085 + 557.4135@1.4767015 1.4767015 (558.4208, 11142.21)(559.4241, 3713.74) 1 557.4135 557.4135@1.4767015 + 615.456@1.4816945 1.4816945 (616.4633, 8545.56)(617.4663, 3384.05)(618.4676, 1475.84) 1 615.456 615.456@1.4816945 + 295.2039@1.4324851 1.4324851 (296.2088, 4945.465)(297.20984, 1562.9009) 13 295.2039 295.2039@1.4324851 + 298.1815@1.4936774 1.4936774 (299.1887, 6015.47)(300.2022, 2021.71) 1 298.1815 298.1815@1.4936774 + 279.1479@1.5245178 1.5245178 (280.1542, 6385.17)(281.1583, 3240.35) 2 279.1479 279.1479@1.5245178 + 284.1037@1.494676 1.494676 (285.111, 10223.24)(286.1141, 2234.35) 1 284.1037 284.1037@1.494676 + 228.0533@1.4774168 1.4774168 (229.06009, 1330.5801) 2 228.0533 228.0533@1.4774168 + 673.497@1.4966731 1.4966731 (674.5043, 5416.71)(675.508, 2496.97)(676.5106, 722.51) 1 673.497 673.497@1.4966731 + 637.5122@1.5086558 1.5086558 (638.5194, 4790.97)(639.5228, 1794.81) 1 637.5122 637.5122@1.5086558 + 57.0578@1.5095462 1.5095462 (58.06505, 2912.3076) 4 57.0578 57.0578@1.5095462 + 234.0648@1.5136486 1.5136486 (235.0721, 3170.94)(236.0727, 700.57) 1 234.0648 234.0648@1.5136486 + 126.0671@1.5156457 1.5156457 (253.1415, 18551.91)(127.0744, 4413.18) 1 126.0671 126.0671@1.5156457 + 153.1152@1.5206385 1.5206385 (154.1226, 1360.01)(136.1119, 8080.16)(137.115, 2036.69) 1 153.1152 153.1152@1.5206385 + 230.1523@1.4693899 1.4693899 (231.15851, 2483.755)(248.1861, 3766.77)(249.1863, 700.02) 2 230.1523 230.1523@1.4693899 + 143.0733@1.6004972 1.6004972 (144.08032, 8240.4)(145.08531, 1099.3568)(146.0818, 595.92) 3 143.0733 143.0733@1.6004972 + C10 H19 N4 O2 1.5523376 [ C10 H19 N4 O2, mfg=72.30, overall=72.30 ] (455.3183, 1192.64)(228.15933, 11822.904)(229.15944, 2578.9053)(230.1589, 515.52)(245.1881, 1166.41)(250.14255, 1778.48) 11 227.1522 C10 H19 N4 O2 + 170.0301@1.5495963 1.5495963 (171.0374, 1329.95) 1 170.0301 170.0301@1.5495963 + 672.2436@1.5575846 1.5575846 (673.2509, 1416.11)(674.2552, 1084.15) 1 672.2436 672.2436@1.5575846 + 525.4229@1.5725625 1.5725625 (526.4302, 4953.31)(527.4311, 1972.37)(528.4175, 1056.97) 1 525.4229 525.4229@1.5725625 + 212.1544@1.5745595 1.5745595 (213.1617, 8499.07) 1 212.1544 212.1544@1.5745595 + 96.0324@1.5489577 1.5489577 (97.03968, 16497.133)(98.042404, 1038.4171) 11 96.0324 96.0324@1.5489577 + 593.4862@1.5835462 1.5835462 (594.4935, 3055.31)(595.4957, 1279.53)(596.5074, 1654.61)(597.5101, 496.14) 1 593.4862 593.4862@1.5835462 + 519.8896@1.5865417 1.5865417 (520.8968, 2107.49) 1 519.8896 519.8896@1.5865417 + 562.2146@1.5733305 1.5733305 (563.2213, 1976.5225)(564.22485, 946.795) 8 562.2146 562.2146@1.5733305 + 345.1621@1.6085086 1.6085086 (346.1686, 2239.46)(347.1838, 965.04)(368.1535, 861.91) 1 345.1621 345.1621@1.6085086 + 252.1327@1.6115041 1.6115041 (253.14, 4976.97) 1 252.1327 252.1327@1.6115041 + 322.0305@1.617495 1.617495 (323.0378, 2481.61) 1 322.0305 322.0305@1.617495 + 324.0239@1.6184934 1.6184934 (325.0312, 1261.36) 1 324.0239 324.0239@1.6184934 + 308.0791@1.619492 1.619492 (309.0864, 2721.56) 1 308.0791 308.0791@1.619492 + 693.5134@1.5849953 1.5849953 (694.5209, 2389.3855)(695.52295, 1162.0717) 7 693.5134 693.5134@1.5849953 + 243.1008@1.6813965 1.6813965 (244.1081, 9799.4)(245.1107, 2610.35) 1 243.1008 243.1008@1.6813965 + 552.1565@1.6863887 1.6863887 (553.1637, 1932.35)(554.173, 313.21) 1 552.1565 552.1565@1.6863887 + 338.2558@1.6867075 1.6867075 (339.26166, 4374.35)(340.2645, 1574.5999)(361.24313, 1313.9266)(362.2345, 671.72) 5 338.2558 338.2558@1.6867075 + 450.0173@1.6883857 1.6883857 (451.0246, 1394.44) 1 450.0173 450.0173@1.6883857 + 1009.5631@1.6573389 1.6573389 (1010.57104, 2368.4324)(1011.5742, 1564.5874)(1012.5751, 1117.38) 8 1009.5631 1009.5631@1.6573389 + 506.037@1.6913809 1.6913809 (507.0443, 1588.04) 1 506.037 506.037@1.6913809 + 362.0894@1.7043605 1.7043605 (363.0967, 10061.32)(364.1017, 1453.13) 1 362.0894 362.0894@1.7043605 + 497.2805@1.6955438 1.6955438 (498.28796, 7530.8237)(499.3021, 2792.0635)(500.2942, 1089.94)(480.2781, 5488.08)(481.2834, 1899.88)(482.2855, 918.81) 3 497.2805 497.2805@1.6955438 + 751.5548@1.6311013 1.6311013 (752.5622, 1525.0425)(753.56396, 1053.9225) 4 751.5548 751.5548@1.6311013 + 479.2703@1.6389291 1.6389291 (480.27798, 9587.797)(481.2826, 3143.9065)(482.2809, 1904.11)(462.2677, 1707.755)(463.2683, 708.98)(464.2653, 658.28) 7 479.2703 479.2703@1.6389291 + 343.1455@1.6194406 1.6194406 (344.15274, 5802.033)(345.15533, 1979.015)(346.1467, 1302.86) 3 343.1455 343.1455@1.6194406 + 273.0048@1.6573825 1.6573825 (274.01266, 3667.4402) 3 273.0048 273.0048@1.6573825 + 859.5733@1.7342257 1.7342257 (860.58057, 1873.9067)(861.58356, 1208.5033) 3 859.5733 859.5733@1.7342257 + 637.5115@1.7452952 1.7452952 (638.5188, 3424.49)(639.5226, 1411.18)(640.5341, 1947.82) 1 637.5115 637.5115@1.7452952 + 780.5684@1.7797728 1.7797728 (781.57587, 1972.6517)(782.57513, 1430.7983)(783.57935, 1849.7899) 6 780.5684 780.5684@1.7797728 + 125.0485@1.7445555 1.7445555 (126.0556, 12907.189)(127.05645, 1572.29) 2 125.0485 125.0485@1.7445555 + 414.1288@1.7582743 1.7582743 (415.136, 1490.0) 1 414.1288 414.1288@1.7582743 + 756.5575@1.6985807 1.6985807 (757.56396, 2036.4166)(758.5742, 1029.38) 3 756.5575 756.5575@1.6985807 + 463.3149@1.6622868 1.6622868 (464.3223, 4405.1514)(465.32492, 1607.08)(446.311, 747.04) 11 463.3149 463.3149@1.6622868 + 228.1474@1.7562346 1.7562346 (229.1543, 4408.225)(230.1526, 1277.16) 2 228.1474 228.1474@1.7562346 + 471.0731@1.7722516 1.7722516 (472.0804, 785.27) 1 471.0731 471.0731@1.7722516 + 674.3389@1.7178779 1.7178779 (675.3461, 2474.0417)(676.3513, 997.5983) 6 674.3389 674.3389@1.7178779 + 207.0535@1.8281596 1.8281596 (208.0609, 6244.03)(230.0427, 6144.16)(231.0457, 948.07) 1 207.0535 207.0535@1.8281596 + 324.0827@1.8321528 1.8321528 (325.09, 2843.74) 1 324.0827 324.0827@1.8321528 + 259.1601@1.9034479 1.9034479 (260.16602, 5464.58)(261.16498, 1144.51)(262.1705, 761.37) 2 259.1601 259.1601@1.9034479 + 582.2478@1.8970431 1.8970431 (583.2551, 7500.45)(584.259, 2843.79)(585.265, 1077.46) 1 582.2478 582.2478@1.8970431 + 256.1282@1.9030328 1.9030328 (257.1355, 6964.89) 1 256.1282 256.1282@1.9030328 + 71.0372@1.9170088 1.9170088 (72.0444, 2305.92)(89.071, 11218.03) 1 71.0372 71.0372@1.9170088 + 681.5387@1.9309844 1.9309844 (682.546, 3624.52)(683.5495, 1416.05) 1 681.5387 681.5387@1.9309844 + 433.2309@2.0094852 2.0094852 (434.23828, 3954.3801)(435.24115, 1199.61) 2 433.2309 433.2309@2.0094852 + 298.9716@1.9339802 1.9339802 (299.97885, 14622.226)(300.9807, 3722.56)(301.9809, 987.48)(321.9609, 4232.72) 2 298.9716 298.9716@1.9339802 + 280.07@1.9292146 1.9292146 (281.07678, 3434.185)(282.08344, 843.4125)(283.0829, 707.13) 4 280.07 280.07@1.9292146 + 785.5234@1.9226172 1.9226172 (786.53064, 1377.355)(787.5345, 813.02) 2 785.5234 785.5234@1.9226172 + 479.2708@2.0198274 2.0198274 (480.278, 9003.84)(481.2816, 2720.59)(482.283, 965.58) 1 479.2708 479.2708@2.0198274 + 345.2508@2.0238202 2.0238202 (346.258, 3536.63)(347.2606, 963.98) 1 345.2508 345.2508@2.0238202 + 342.2982@2.0238202 2.0238202 (343.3055, 2190.86)(344.3083, 509.52) 1 342.2982 342.2982@2.0238202 + 737.5269@2.0258167 2.0258167 (738.5359, 3199.2)(755.56, 7695.89)(756.5627, 3376.66)(757.5636, 1337.19)(760.5159, 7747.57)(761.5194, 3052.09)(762.5223, 1366.0) 1 737.5269 737.5269@2.0258167 + 725.5658@2.028811 2.028811 (726.5731, 2683.16)(727.5742, 1283.59)(728.5885, 1306.89) 1 725.5658 725.5658@2.028811 + 497.2805@2.0298095 2.0298095 (498.2878, 12578.23)(499.3031, 4243.44)(500.2932, 1379.98) 1 497.2805 497.2805@2.0298095 + 417.2729@2.0298095 2.0298095 (418.2802, 2845.36) 1 417.2729 417.2729@2.0298095 + 781.4888@2.0357988 2.0357988 (782.4961, 1350.24)(783.5002, 773.54) 1 781.4888 781.4888@2.0357988 + 560.3206@2.0414355 2.0414355 (561.32745, 3523.6497)(562.33154, 1332.0433) 3 560.3206 560.3206@2.0414355 + 195.9974@2.0857074 2.0857074 (197.0047, 2517.13) 1 195.9974 195.9974@2.0857074 + 200.0667@2.0867057 2.0867057 (201.074, 5040.16)(202.0816, 919.93) 1 200.0667 200.0667@2.0867057 + 162.0356@2.0138063 2.0138063 (325.077, 858.47)(163.0432, 5749.543)(164.0414, 692.41)(145.03189, 947.74005) 6 162.0356 162.0356@2.0138063 + 320.0497@2.0916965 2.0916965 (321.057, 6863.2)(322.0585, 1462.6)(323.0534, 805.67) 1 320.0497 320.0497@2.0916965 + 205.0219@2.0946908 2.0946908 (206.0292, 4378.12) 1 205.0219 205.0219@2.0946908 + 259.063@2.096687 2.096687 (260.0702, 4531.58)(261.0753, 1346.22) 1 259.063 259.063@2.096687 + 319.038@2.0986836 2.0986836 (320.0453, 1283.68) 1 319.038 319.038@2.0986836 + 450.0795@2.1026762 2.1026762 (451.0867, 2194.02) 1 450.0795 450.0795@2.1026762 + 99.0684@2.1036742 2.1036742 (100.0756, 470461.78)(101.0791, 24832.69)(102.086, 2370.78) 1 99.0684 99.0684@2.1036742 + 159.0895@2.1056707 2.1056707 (341.1694, 3410.05)(342.1667, 959.13)(343.1545, 736.54)(160.0968, 355724.47)(161.1001, 27029.53)(162.1017, 3861.39)(142.0863, 42172.93)(143.0887, 4917.04)(182.0788, 97157.3)(183.0826, 7472.13) 1 159.0895 159.0895@2.1056707 + 318.179@2.1066687 2.1066687 (319.1863, 3492.48)(320.1941, 940.21) 1 318.179 318.179@2.1066687 + 280.0714@2.1116595 2.1116595 (281.0787, 1682.63) 1 280.0714 280.0714@2.1116595 + 342.2983@2.1176481 2.1176481 (343.3057, 1914.22)(344.3103, 930.54)(365.2874, 1751.16) 1 342.2983 342.2983@2.1176481 + 434.1214@2.1426015 2.1426015 (435.1287, 1930.65)(436.1309, 1071.52) 1 434.1214 434.1214@2.1426015 + 258.1078@2.1475923 2.1475923 (259.1151, 6992.74)(260.1181, 1143.07) 1 258.1078 258.1078@2.1475923 + 241.9866@2.1334596 2.1334596 (242.99396, 2006.39) 2 241.9866 241.9866@2.1334596 + 648.4431@2.165558 2.165558 (649.4504, 1868.76)(650.4521, 1113.87) 1 648.4431 648.4431@2.165558 + 457.411@2.172545 2.172545 (458.4183, 1777.45) 1 457.411 457.411@2.172545 + 530.2154@2.1703293 2.1703293 (531.2227, 2406.875)(532.2252, 1433.87) 2 530.2154 530.2154@2.1703293 + 296.1833@2.2640166 2.2640166 (297.19067, 4696.24)(298.1923, 1319.51) 2 296.1833 296.1833@2.2640166 + 313.21@2.2084763 2.2084763 (314.2173, 36226.69)(315.2202, 5623.54)(316.2254, 1173.92) 1 313.21 313.21@2.2084763 + 267.1683@2.2284377 2.2284377 (268.1755, 34698.41)(269.179, 4649.48) 1 267.1683 267.1683@2.2284377 + 457.4127@2.23243 2.23243 (458.4199, 5492.18)(459.4239, 1832.18) 1 457.4127 457.4127@2.23243 + 225.0831@2.229048 2.229048 (226.09027, 4441.1826)(227.09271, 1006.3367)(248.0721, 1084.95) 4 225.0831 225.0831@2.229048 + 310.1988@2.2434087 2.2434087 (311.2058, 12253.37)(328.2327, 48672.03)(329.2361, 7326.19)(330.2356, 1845.69) 1 310.1988 310.1988@2.2434087 + 306.1206@2.248399 2.248399 (307.1278, 3062.75)(308.1322, 800.83) 1 306.1206 306.1206@2.248399 + 305.1164@2.2623718 2.2623718 (306.1237, 12913.86) 1 305.1164 305.1164@2.2623718 + 352.1524@2.1668153 2.1668153 (353.15967, 9214.731) 14 352.1524 352.1524@2.1668153 + 428.11@2.26836 2.26836 (429.1173, 1174.24) 1 428.11 428.11@2.26836 + 345.1417@2.1933637 2.1933637 (346.15005, 1869.6901)(347.15005, 986.9) 3 345.1417 345.1417@2.1933637 + 186.1366@2.2723522 2.2723522 (187.1439, 5130.79)(188.1376, 1226.92)(189.1346, 778.41) 1 186.1366 186.1366@2.2723522 + 239.2244@2.3232512 2.3232512 (240.2316, 1907.33) 1 239.2244 239.2244@2.3232512 + 226.2044@2.3097458 2.3097458 (227.21167, 4868.754)(228.21733, 1242.4933) 5 226.2044 226.2044@2.3097458 + 301.0964@2.2914608 2.2914608 (302.1044, 1277.975)(319.1289, 2562.065) 2 301.0964 301.0964@2.2914608 + 391.2209@2.352193 2.352193 (392.2281, 4065.31)(393.2285, 1256.2) 1 391.2209 391.2209@2.352193 + 155.058@2.3581812 2.3581812 (156.0653, 6347.02)(157.0715, 524.69) 1 155.058 155.058@2.3581812 + 145.0738@2.362173 2.362173 (146.0811, 14309.3)(128.0706, 2681.97) 1 145.0738 145.0738@2.362173 + 134.0209@2.3542585 2.3542585 (135.02785, 1676.64) 2 134.0209 134.0209@2.3542585 + 433.2308@2.369159 2.369159 (434.2381, 2415.46)(435.2387, 891.13) 1 433.2308 433.2308@2.369159 + 701.5278@2.3781407 2.3781407 (702.5351, 8028.89)(703.5388, 3339.6)(704.5409, 892.33) 1 701.5278 701.5278@2.3781407 + 271.2144@2.3861244 2.3861244 (272.2217, 4666.69)(273.2261, 954.28) 1 271.2144 271.2144@2.3861244 + 459.2858@2.418059 2.418059 (460.2931, 8341.74)(461.2966, 1859.13)(462.2969, 771.24) 1 459.2858 459.2858@2.418059 + 769.5926@2.4220507 2.4220507 (770.5999, 3173.73)(771.602, 1369.8)(772.6124, 2883.15) 1 769.5926 769.5926@2.4220507 + 688.5154@2.4549825 2.4549825 (689.5227, 2475.12)(690.5263, 872.89) 1 688.5154 688.5154@2.4549825 + 377.1525@2.4569786 2.4569786 (378.1598, 2371.86) 1 377.1525 377.1525@2.4569786 + 343.1825@2.4579763 2.4579763 (344.1895, 8039.48)(345.1928, 1427.33)(326.1798, 2734.07) 1 343.1825 343.1825@2.4579763 + 246.1278@2.4599724 2.4599724 (247.1351, 13255.21)(248.1392, 1916.86) 1 246.1278 246.1278@2.4599724 + 299.1755@2.3931417 2.3931417 (300.18347, 44613.707)(301.1871, 8358.82)(302.1882, 2139.55)(322.1647, 741.03) 2 299.1755 299.1755@2.3931417 + 298.1787@2.4609702 2.4609702 (299.186, 17627.36) 1 298.1787 298.1787@2.4609702 + 132.0786@2.461968 2.461968 (133.0859, 11304.37)(134.0906, 1144.91) 1 132.0786 132.0786@2.461968 + 238.1416@2.461968 2.461968 (239.1489, 1779063.8)(240.1526, 203147.56)(241.1542, 29018.98)(242.1571, 2807.03)(256.1754, 1058937.9)(257.1788, 115394.5)(258.1807, 18545.62)(259.1847, 1911.44)(261.1311, 63611.08)(262.1342, 7489.34)(263.1372, 1429.49) 1 238.1416 238.1416@2.461968 + 264.1381@2.461968 2.461968 (265.1455, 2197.87)(282.1718, 5812.56)(283.1751, 1308.9)(284.1771, 993.16) 1 264.1381 264.1381@2.461968 + 362.2127@2.463964 2.463964 (363.2199, 6483.99)(364.2236, 1469.26) 1 362.2127 362.2127@2.463964 + 88.0524@2.4649618 2.4649618 (177.1121, 8985.06)(178.1197, 1270.66)(89.0596, 4713.38)(90.0591, 708.09) 1 88.0524 88.0524@2.4649618 + 296.1833@2.600673 2.600673 (297.1904, 10739.97)(298.1942, 1185.6)(314.2171, 35800.39)(315.2205, 5282.38) 1 296.1833 296.1833@2.600673 + 243.1988@2.6096535 2.6096535 (244.206, 14325.91)(245.209, 2828.02) 1 243.1988 243.1988@2.6096535 + 357.2354@2.6555529 2.6555529 (358.2426, 4786.02)(359.2462, 1239.45) 1 357.2354 357.2354@2.6555529 + 243.1988@2.6824934 2.6824934 (244.2061, 4896.03)(245.2085, 1025.86) 1 243.1988 243.1988@2.6824934 + 163.1357@2.7293887 2.7293887 (164.143, 11666.96)(165.1459, 1514.67) 1 163.1357 163.1357@2.7293887 + 181.0951@2.7683008 2.7683008 (182.1024, 4210.66) 1 181.0951 181.0951@2.7683008 + 149.12@2.8092074 2.8092074 (150.1273, 15045.71)(151.1305, 2078.57) 1 149.12 149.12@2.8092074 + 140.9917@2.8301592 2.8301592 (141.999, 2457.73) 1 140.9917 140.9917@2.8301592 + 135.1046@2.8770504 2.8770504 (136.1119, 32806.91)(137.1147, 3642.16) 1 135.1046 135.1046@2.8770504 + 213.9809@2.9059827 2.9059827 (214.9882, 1665.6) 1 213.9809 213.9809@2.9059827 + 244.9753@2.9079778 2.9079778 (245.9825, 27331.54)(246.9846, 4624.55)(247.9836, 2114.02) 1 244.9753 244.9753@2.9079778 + 358.3081@2.9270527 2.9270527 (359.3149, 1722.4316)(360.31815, 881.14856)(376.34192, 1284.4867) 12 358.3081 358.3081@2.9270527 + 232.0135@2.9259357 2.9259357 (233.0208, 2679.33) 1 232.0135 232.0135@2.9259357 + 267.147@2.9289286 2.9289286 (268.1542, 4985.9)(269.1583, 1415.56) 1 267.147 267.147@2.9289286 + 480.1268@2.9289286 2.9289286 (481.1341, 3284.96) 1 480.1268 480.1268@2.9289286 + 245.0303@2.9299262 2.9299262 (246.0375, 2782.99) 1 245.0303 245.0303@2.9299262 + 266.9576@2.9319215 2.9319215 (267.9648, 3104.44)(268.9693, 1198.9) 1 266.9576 266.9576@2.9319215 + 317.1283@2.9438932 2.9438932 (318.1356, 14454.58)(319.139, 2582.81) 1 317.1283 317.1283@2.9438932 + 436.1016@2.9448907 2.9448907 (437.1089, 7304.85)(438.113, 1506.34) 1 436.1016 436.1016@2.9448907 + 396.0449@3.0001621 3.0001621 (397.0556, 1313.04) 2 396.0449 396.0449@3.0001621 + 316.1306@2.946886 2.946886 (317.1389, 4337.28)(339.1177, 4351.91) 1 316.1306 316.1306@2.946886 + 435.1045@2.9478836 2.9478836 (436.1117, 1819.19) 1 435.1045 435.1045@2.9478836 + 453.1663@2.9488814 2.9488814 (454.1735, 4883.64)(455.1755, 1122.6) 1 453.1663 453.1663@2.9488814 + 339.11@2.949879 2.949879 (340.1172, 15206.36)(341.1203, 2758.33)(342.1263, 785.11) 1 339.11 339.11@2.949879 + 363.1344@2.9508765 2.9508765 (364.1417, 2647.33)(365.1419, 851.16) 1 363.1344 363.1344@2.9508765 + 375.1816@2.9508765 2.9508765 (376.1889, 3612.0)(377.1947, 875.55) 1 375.1816 375.1816@2.9508765 + 468.1894@2.9518743 2.9518743 (469.1966, 2367.66) 1 468.1894 468.1894@2.9518743 + 314.0322@2.9548671 2.9548671 (315.0395, 2606.67) 1 314.0322 314.0322@2.9548671 + 324.0896@2.8946514 2.8946514 (325.0965, 2715.76)(326.1117, 675.03) 2 324.0896 324.0896@2.8946514 + 238.9878@2.9578598 2.9578598 (239.9951, 1634.03) 1 238.9878 238.9878@2.9578598 + 377.1308@2.9588575 2.9588575 (378.1381, 14028.23)(379.1417, 3082.63)(380.1535, 613.87) 1 377.1308 377.1308@2.9588575 + 414.1193@2.858749 2.858749 (415.12665, 5407.94)(416.1282, 1274.4525)(417.1318, 868.49) 4 414.1193 414.1193@2.858749 + 407.1601@2.9608529 2.9608529 (408.1675, 3188.45)(409.1797, 1097.1)(430.1492, 18136.13)(431.1531, 3646.22) 1 407.1601 407.1601@2.9608529 + 219.111@2.9608529 2.9608529 (461.2096, 6590.64)(462.2124, 1584.17)(220.1183, 715041.4)(221.1212, 72168.42)(222.1234, 11312.69)(223.1337, 1869.3)(242.1001, 93805.98)(243.1035, 10544.51)(244.1047, 1344.31) 1 219.111 219.111@2.9608529 + 687.9966@2.9618506 2.9618506 (689.0039, 1141.0) 1 687.9966 687.9966@2.9618506 + 201.1003@2.9618506 2.9618506 (202.1076, 9500.1)(184.0969, 3555.75) 1 201.1003 201.1003@2.9618506 + 277.1636@2.9628482 2.9628482 (278.1708, 3838.1) 1 277.1636 277.1636@2.9628482 + 173.9956@2.866385 2.866385 (366.02545, 2223.2449)(367.0258, 957.75)(175.00188, 2809.8025)(175.9983, 689.2) 4 173.9956 173.9956@2.866385 + 365.0182@2.861068 2.861068 (366.02557, 2226.164)(367.02695, 888.815) 5 365.0182 365.0182@2.861068 + 425.0394@2.855141 2.855141 (426.04666, 3115.6016)(427.04996, 1222.22) 7 425.0394 425.0394@2.855141 + 617.1912@2.9728243 2.9728243 (618.1985, 2114.57) 1 617.1912 617.1912@2.9728243 + 411.0249@2.8623788 2.8623788 (412.03314, 10672.993)(413.0336, 2833.402)(414.03296, 930.938) 5 411.0249 411.0249@2.8623788 + 232.0562@2.9917789 2.9917789 (233.0634, 7483.15)(234.0688, 712.08) 1 232.0562 232.0562@2.9917789 + 170.0066@2.9680133 2.9680133 (171.014, 1990.2251) 2 170.0066 170.0066@2.9680133 + 325.1026@3.0127285 3.0127285 (326.1098, 3642.58)(327.1072, 627.14) 1 325.1026 325.1026@3.0127285 + 131.0581@3.0167189 3.0167189 (132.0653, 12703.32)(133.0754, 1352.71) 1 131.0581 131.0581@3.0167189 + 664.2371@3.0626075 3.0626075 (665.2444, 2436.51)(666.2466, 1052.87) 1 664.2371 664.2371@3.0626075 + 126.0317@3.0775712 3.0775712 (127.039, 24079.07)(128.0424, 1112.19)(129.0387, 759.08) 1 126.0317 126.0317@3.0775712 + 282.168@3.0915368 3.0915368 (283.1753, 206771.95)(284.1784, 26758.75)(285.1802, 5143.6)(286.1903, 427.23)(300.2018, 636080.2)(301.205, 93605.76)(302.2069, 15526.51)(303.2104, 1852.61)(305.1575, 8259.16)(306.1627, 1656.1) 1 282.168 282.168@3.0915368 + 375.3346@3.029734 3.029734 (376.34238, 1388.9867) 3 375.3346 375.3346@3.029734 + 271.1176@3.0235472 3.0235472 (272.12454, 2728.89)(273.12897, 953.92505) 4 271.1176 271.1176@3.0235472 + 242.1742@3.1294434 3.1294434 (243.1814, 2651.53) 1 242.1742 242.1742@3.1294434 + 318.0881@3.1374235 3.1374235 (319.0954, 3955.66)(320.0927, 1014.12) 1 318.0881 318.0881@3.1374235 + 416.1224@3.0962958 3.0962958 (417.13205, 3850.525)(418.1341, 947.41504) 2 416.1224 416.1224@3.0962958 + 584.3807@3.1404161 3.1404161 (585.388, 2256.94)(586.3918, 1270.84) 1 584.3807 584.3807@3.1404161 + 138.0429@3.1414137 3.1414137 (139.0502, 2333809.5)(140.0534, 151365.45)(141.0552, 15301.3)(142.0565, 891.13) 1 138.0429 138.0429@3.1414137 + 505.1588@3.1424115 3.1424115 (506.166, 5635.78) 1 505.1588 505.1588@3.1424115 + 506.1552@3.1434088 3.1434088 (507.1625, 19893.49)(508.1651, 4793.01)(509.1677, 1196.53) 1 506.1552 506.1552@3.1434088 + 356.1127@3.1454039 3.1454039 (357.1199, 1653.22) 1 356.1127 356.1127@3.1454039 + 345.2153@3.1464014 3.1464014 (346.2226, 6084.34)(347.2254, 1452.04)(348.2269, 741.66) 1 345.2153 345.2153@3.1464014 + 426.1622@3.1583717 3.1583717 (427.1695, 1125.34)(428.1601, 551.47) 1 426.1622 426.1622@3.1583717 + 192.0899@3.1583717 3.1583717 (193.0971, 22387.7)(194.102, 3064.84) 1 192.0899 192.0899@3.1583717 + 237.0866@3.1633592 3.1633592 (238.0939, 4750.32)(239.102, 990.0) 1 237.0866 237.0866@3.1633592 + 265.1315@3.1853044 3.1853044 (266.1387, 11157.1)(267.1411, 2639.23)(288.124, 990.22) 1 265.1315 265.1315@3.1853044 + 146.0692@3.196277 3.196277 (147.0768, 13188.42)(129.0656, 11375.5) 1 146.0692 146.0692@3.196277 + 573.1888@3.1992693 3.1992693 (574.196, 6041.82)(575.1992, 1514.18) 1 573.1888 573.1888@3.1992693 + 802.2156@3.2002668 3.2002668 (803.2246, 952.59)(785.2119, 1661.18) 1 802.2156 802.2156@3.2002668 + 355.1841@3.2012644 3.2012644 (356.1914, 7495.97)(357.1953, 1264.45)(358.1972, 581.02) 1 355.1841 355.1841@3.2012644 + 405.1544@3.2022617 3.2022617 (406.1607, 1411.43)(388.1512, 8341.49)(389.1553, 1298.94) 1 405.1544 405.1544@3.2022617 + 572.1908@3.2022617 3.2022617 (573.1981, 3398.06) 1 572.1908 572.1908@3.2022617 + 857.6428@3.2032592 3.2032592 (858.65, 1443.57)(859.6536, 881.69) 1 857.6428 857.6428@3.2032592 + 411.1357@3.2052543 3.2052543 (412.143, 5806.78)(413.1457, 1018.88)(414.1465, 634.93) 1 411.1357 411.1357@3.2052543 + 410.1382@3.2062516 3.2062516 (411.1455, 3458.64) 1 410.1382 410.1382@3.2062516 + 194.0699@3.2102416 3.2102416 (195.0772, 7907.46)(196.0866, 1905.83) 1 194.0699 194.0699@3.2102416 + 357.236@3.2202165 3.2202165 (358.2433, 6933.34)(359.2458, 2287.3) 1 357.236 357.236@3.2202165 + 241.0972@3.227199 3.227199 (242.1045, 58142.84)(243.1083, 5289.76)(244.1081, 965.99) 1 241.0972 241.0972@3.227199 + 169.043@3.2341814 3.2341814 (170.0501, 2011.24)(187.0775, 568.35) 1 169.043 169.043@3.2341814 + 403.1497@3.2361763 3.2361763 (404.157, 32600.03)(405.1605, 5465.16) 1 403.1497 403.1497@3.2361763 + 591.2@3.238171 3.238171 (592.2073, 2368.11)(593.209, 876.98) 1 591.2 591.2@3.238171 + 331.1269@3.2471485 3.2471485 (332.1341, 6977.79)(333.1353, 1519.41) 1 331.1269 331.1269@3.2471485 + 426.1155@3.2541306 3.2541306 (427.1225, 4930.46)(409.1123, 19005.44)(410.1158, 3458.28) 1 426.1155 426.1155@3.2541306 + 84.0211@3.2551281 3.2551281 (85.0283, 18863.65)(86.0319, 1364.84) 1 84.0211 84.0211@3.2551281 + 144.0421@3.2591178 3.2591178 (145.0494, 45017.15)(146.0536, 2732.56)(147.0562, 623.64) 1 144.0421 144.0421@3.2591178 + 199.0948@3.2641053 3.2641053 (200.1021, 17006.04)(201.1065, 1022.7) 1 199.0948 199.0948@3.2641053 + 121.0888@3.2870467 3.2870467 (122.0961, 43148.99)(123.0988, 4201.13) 1 121.0888 121.0888@3.2870467 + 597.157@3.2890415 3.2890415 (598.1643, 1698.98)(599.1736, 936.76) 1 597.157 597.157@3.2890415 + 247.0573@3.2910366 3.2910366 (248.0646, 2865.22)(249.0663, 895.2) 1 247.0573 247.0573@3.2910366 + 636.1926@3.3069956 3.3069956 (637.1999, 5582.17)(638.2041, 1720.87) 1 636.1926 636.1926@3.3069956 + 543.0659@3.3129802 3.3129802 (544.0732, 10263.07)(545.0754, 3413.34) 1 543.0659 543.0659@3.3129802 + 600.0831@3.3129802 3.3129802 (601.0904, 1773.57) 1 600.0831 600.0831@3.3129802 + 455.1336@3.3139775 3.3139775 (456.1408, 4854.47) 1 455.1336 455.1336@3.3139775 + 557.0823@3.314975 3.314975 (558.0895, 3288.54) 1 557.0823 557.0823@3.314975 + 470.1249@3.3159726 3.3159726 (471.1323, 11811.17)(472.1372, 2314.0)(453.1182, 811.51) 1 470.1249 470.1249@3.3159726 + 326.1341@3.3169699 3.3169699 (327.1413, 5527.88)(328.1439, 1157.12) 1 326.1341 326.1341@3.3169699 + 456.1301@3.3179672 3.3179672 (457.1374, 17935.67)(458.1406, 3844.7)(459.1419, 1544.72) 1 456.1301 456.1301@3.3179672 + 258.0975@3.3179672 3.3179672 (259.1048, 3339.18) 1 258.0975 258.0975@3.3179672 + 312.0875@3.3219569 3.3219569 (313.0948, 3525.44) 1 312.0875 312.0875@3.3219569 + 514.1327@3.3219569 3.3219569 (515.1399, 2476.04)(516.1444, 787.62) 1 514.1327 514.1327@3.3219569 + 376.1381@3.323952 3.323952 (377.1453, 13328.86)(378.1484, 2597.13)(379.1535, 583.52)(399.1279, 1056.13) 1 376.1381 376.1381@3.323952 + 846.2251@3.3249493 3.3249493 (847.2324, 2298.15)(848.2373, 626.01) 1 846.2251 846.2251@3.3249493 + 845.2264@3.3249493 3.3249493 (846.2336, 1043.72) 1 845.2264 845.2264@3.3249493 + 658.1754@3.3249493 3.3249493 (659.1827, 21005.88)(660.1854, 5584.97)(661.1894, 1714.37)(662.1957, 326.82) 1 658.1754 658.1754@3.3249493 + 657.1785@3.3259468 3.3259468 (658.1857, 5335.34) 1 657.1785 657.1785@3.3259468 + 536.161@3.3259468 3.3259468 (537.1684, 54192.12)(538.1712, 14799.03)(539.1732, 2511.7)(540.1695, 242.97)(559.1499, 10920.81)(560.1533, 2971.44) 1 536.161 536.161@3.3259468 + 632.2473@3.3259468 3.3259468 (633.2546, 7534.2)(634.2581, 2653.67)(635.2628, 1369.74) 1 632.2473 632.2473@3.3259468 + 290.0625@3.326944 3.326944 (291.0698, 84117.4)(292.0729, 10529.76)(293.0757, 1876.91) 1 290.0625 290.0625@3.326944 + 409.0084@3.3289392 3.3289392 (410.0156, 2975.31)(411.0167, 1146.87) 1 409.0084 409.0084@3.3289392 + 294.0767@3.331931 3.331931 (295.0839, 1573.38) 1 294.0767 294.0767@3.331931 + 478.1117@3.3379157 3.3379157 (479.119, 5396.59)(480.1359, 3337.74) 1 478.1117 478.1117@3.3379157 + 423.0246@3.3399107 3.3399107 (424.0319, 1338.47) 1 423.0246 423.0246@3.3399107 + 547.3379@3.3458953 3.3458953 (548.3452, 9042.61)(549.3479, 3002.9)(550.3499, 1125.18) 1 547.3379 547.3379@3.3458953 + 416.0914@3.3468926 3.3468926 (417.0986, 7689.22)(418.1027, 1656.18) 1 416.0914 416.0914@3.3468926 + 681.1212@3.3488874 3.3488874 (682.1285, 5159.69) 1 681.1212 681.1212@3.3488874 + 668.1764@3.3538744 3.3538744 (669.1837, 1869.13)(670.1889, 753.34) 1 668.1764 668.1764@3.3538744 + 512.0792@3.3538744 3.3538744 (513.0866, 1124.29)(495.076, 10242.05)(496.0786, 2516.2)(497.081, 1205.29) 1 512.0792 512.0792@3.3538744 + 682.1187@3.3538744 3.3538744 (683.126, 6240.91)(684.1274, 2013.37)(685.1281, 945.27) 1 682.1187 682.1187@3.3538744 + 493.0718@3.3558693 3.3558693 (494.0791, 6934.19) 1 493.0718 493.0718@3.3558693 + 480.1263@3.3568668 3.3568668 (481.1335, 8324.38)(482.136, 2364.85) 1 480.1263 480.1263@3.3568668 + 506.1259@3.3578641 3.3578641 (507.1332, 1643.31)(508.1326, 857.07) 1 506.1259 506.1259@3.3578641 + 300.0631@3.3588617 3.3588617 (301.0704, 22312.36)(323.053, 660.8) 1 300.0631 300.0631@3.3588617 + 299.0664@3.3618538 3.3618538 (300.0736, 7585.91) 1 299.0664 299.0664@3.3618538 + 173.1052@3.3618538 3.3618538 (174.1125, 9746.4)(175.1166, 1720.74)(176.1132, 788.36) 1 173.1052 173.1052@3.3618538 + 676.1655@3.3628511 3.3628511 (677.1728, 961.26) 1 676.1655 676.1655@3.3628511 + 295.1075@3.3708303 3.3708303 (296.1148, 28640.58)(297.1189, 3829.81)(298.1258, 660.89) 1 295.1075 295.1075@3.3708303 + 488.1126@3.3778121 3.3778121 (489.1199, 5765.39)(490.1219, 1913.6)(491.1265, 805.55) 1 488.1126 488.1126@3.3778121 + 530.3019@3.3907783 3.3907783 (531.3092, 4155.38)(532.3126, 1249.15) 1 530.3019 530.3019@3.3907783 + 322.0457@3.3927732 3.3927732 (323.053, 1232.86) 1 322.0457 322.0457@3.3927732 + 146.0695@3.4117236 3.4117236 (147.0767, 25514.99)(148.0813, 2043.01)(149.0684, 957.85)(169.059, 7902.47)(170.0569, 841.16) 1 146.0695 146.0695@3.4117236 + 103.0632@3.4137182 3.4137182 (104.0707, 1217.94)(86.0599, 11398.87)(87.0562, 1388.64) 1 103.0632 103.0632@3.4137182 + 102.043@3.4256868 3.4256868 (103.0503, 6172.51) 1 102.043 102.043@3.4256868 + 234.0854@3.4266841 3.4266841 (235.0935, 3374.97)(257.0744, 16218.76)(258.0779, 1895.55) 1 234.0854 234.0854@3.4266841 + 157.0742@3.4705684 3.4705684 (158.0815, 8864.76)(159.0846, 1449.87)(160.0718, 764.73) 1 157.0742 157.0742@3.4705684 + 284.0762@3.50747 3.50747 (285.0833, 6388.57)(286.0867, 1211.8)(307.0657, 4588.86)(308.0682, 887.29) 1 284.0762 284.0762@3.50747 + 237.1579@3.5304086 3.5304086 (238.1652, 8644.92) 1 237.1579 237.1579@3.5304086 + 346.0983@3.5324032 3.5324032 (347.1056, 1821.93) 1 346.0983 346.0983@3.5324032 + 280.0988@3.5403817 3.5403817 (281.1061, 6220.46)(282.1082, 1222.69) 1 280.0988 280.0988@3.5403817 + 410.157@3.5563388 3.5563388 (411.1643, 2480.89) 1 410.157 410.157@3.5563388 + 318.1296@3.5782795 3.5782795 (319.1369, 1888.42) 1 318.1296 318.1296@3.5782795 + 302.0788@3.604209 3.604209 (303.0861, 4046.62)(304.0897, 636.21) 1 302.0788 302.0788@3.604209 + 278.0777@3.6052065 3.6052065 (279.0849, 8688.81)(280.092, 1178.29) 1 278.0777 278.0777@3.6052065 + 204.0616@3.6121874 3.6121874 (205.0689, 4932.81) 1 204.0616 204.0616@3.6121874 + 854.6035@3.6171737 3.6171737 (855.6108, 1451.16)(856.6207, 700.59) 1 854.6035 854.6035@3.6171737 + 329.2559@3.6221602 3.6221602 (330.2631, 6467.47)(331.2669, 1751.44) 1 329.2559 329.2559@3.6221602 + 825.594@3.6271465 3.6271465 (826.6013, 1885.07)(827.6044, 1073.5) 1 825.594 825.594@3.6271465 + 207.1046@3.6500838 3.6500838 (208.1119, 7105.44) 1 207.1046 207.1046@3.6500838 + 163.1359@3.6650426 3.6650426 (164.1432, 4605.18)(165.1428, 983.31) 1 163.1359 163.1359@3.6650426 + 901.6694@3.6829932 3.6829932 (902.6767, 1686.68)(903.6808, 1072.95)(904.6919, 3465.79)(905.6956, 663.04)(906.6916, 1054.84) 1 901.6694 901.6694@3.6829932 + 297.108@3.6869824 3.6869824 (298.1153, 6000.97) 1 297.108 297.108@3.6869824 + 221.0903@3.7059298 3.7059298 (222.0985, 3246.42)(244.079, 6477.08)(245.0879, 950.28) 1 221.0903 221.0903@3.7059298 + 295.1282@3.6756423 3.6756423 (296.13458, 4210.4688)(297.13504, 1187.9424)(298.1353, 949.85) 7 295.1282 295.1282@3.6756423 + 189.0076@3.7248774 3.7248774 (190.0159, 1298.45)(211.9967, 3993.2) 1 189.0076 189.0076@3.7248774 + 409.2822@3.7268717 3.7268717 (410.2895, 1996.62)(411.3001, 819.63) 1 409.2822 409.2822@3.7268717 + 875.654@3.7348495 3.7348495 (876.6613, 4111.39)(877.6635, 1574.56)(878.6619, 775.37) 1 875.654 875.654@3.7348495 + 326.1939@3.7428274 3.7428274 (327.201, 19890.21)(328.2045, 3411.63)(329.2069, 1295.45)(344.2278, 225986.5)(345.2309, 35920.72)(346.233, 6555.78)(347.2346, 652.12) 1 326.1939 326.1939@3.7428274 + 591.3649@3.7587829 3.7587829 (592.3721, 12288.95)(593.3747, 4552.34)(594.3755, 1402.97) 1 591.3649 591.3649@3.7587829 + 355.2208@3.7587829 3.7587829 (356.228, 7312.53)(357.2328, 1549.79) 1 355.2208 355.2208@3.7587829 + 163.136@3.8669422 3.8669422 (164.14317, 30657.33)(165.14339, 4246.05)(166.1522, 1107.14) 3 163.136 163.136@3.8669422 + 703.0024@3.773741 3.773741 (704.0097, 2218.5)(705.0108, 976.43) 1 703.0024 703.0024@3.773741 + 761.0432@3.7906933 3.7906933 (762.0505, 2754.17)(763.0556, 659.37) 1 761.0432 761.0432@3.7906933 + 551.3973@3.793685 3.793685 (552.4046, 2071.03) 1 551.3973 551.3973@3.793685 + 290.0651@3.8076456 3.8076456 (291.0723, 2037.53) 1 290.0651 290.0651@3.8076456 + 187.0643@3.8086429 3.8086429 (188.0718, 3497.33)(205.0977, 2362.53) 1 187.0643 187.0643@3.8086429 + 521.2778@3.7555547 3.7555547 (522.28516, 1565.255)(523.28925, 702.635) 2 521.2778 521.2778@3.7555547 + 246.1004@3.8126316 3.8126316 (247.1077, 56768.93)(248.1111, 9947.32)(249.1146, 836.43)(269.0896, 9548.95)(270.0916, 1878.0) 1 246.1004 246.1004@3.8126316 + 304.154@3.8166203 3.8166203 (305.1613, 8493.15)(306.174, 2286.81) 1 304.154 304.154@3.8166203 + 516.323@3.8166203 3.8166203 (517.3303, 4195.0)(518.3346, 1554.29) 1 516.323 516.323@3.8166203 + 848.1061@3.8355668 3.8355668 (849.1134, 2246.23)(850.1125, 1045.01) 1 848.1061 848.1061@3.8355668 + 993.2076@3.836564 3.836564 (994.2149, 780.18) 1 993.2076 993.2076@3.836564 + 819.5897@3.842547 3.842547 (820.597, 3028.56)(821.604, 1191.61) 1 819.5897 819.5897@3.842547 + 761.5474@3.842547 3.842547 (762.5547, 1099.67) 1 761.5474 761.5474@3.842547 + 628.7878@3.847533 3.847533 (629.795, 2637.7)(630.8001, 1019.23) 1 628.7878 628.7878@3.847533 + 131.9798@3.8535159 3.8535159 (132.9871, 8490.33)(133.9899, 872.62) 1 131.9798 131.9798@3.8535159 + 273.1936@3.8644848 3.8644848 (274.2009, 14256.0)(275.2057, 1358.34)(276.1965, 1129.0) 1 273.1936 273.1936@3.8644848 + 463.2746@3.872462 3.872462 (464.2819, 2336.61)(465.2933, 898.97) 1 463.2746 463.2746@3.872462 + 399.2109@3.8764505 3.8764505 (400.2181, 2307.04)(401.2144, 930.23) 1 399.2109 399.2109@3.8764505 + 447.8326@3.8864222 3.8864222 (448.8399, 2563.13) 1 447.8326 447.8326@3.8864222 + 481.3629@3.911351 3.911351 (482.3702, 4242.02) 1 481.3629 481.3629@3.911351 + 295.1631@3.9312937 3.9312937 (296.1704, 25147.6)(297.1748, 3635.53)(298.1825, 794.81) 1 295.1631 295.1631@3.9312937 + 302.1409@3.9312937 3.9312937 (303.1482, 2620.68) 1 302.1409 302.1409@3.9312937 + 869.6187@3.8369255 3.8369255 (870.62573, 1581.18)(871.6292, 936.26794) 6 869.6187 869.6187@3.8369255 + 753.5351@3.941265 3.941265 (754.5423, 2473.26)(755.543, 1202.33) 1 753.5351 753.5351@3.941265 + 1127.6722@3.9432595 3.9432595 (1128.6796, 1357.21)(1129.6842, 715.29) 1 1127.6722 1127.6722@3.9432595 + 149.1204@3.9432595 3.9432595 (150.1276, 944390.2)(151.1311, 114420.34)(152.1346, 6326.48) 1 149.1204 149.1204@3.9432595 + 783.0569@3.8886218 3.8886218 (784.06433, 1757.8999) 2 783.0569 783.0569@3.8886218 + 193.0742@3.9442565 3.9442565 (194.0813, 21288.81)(195.0898, 2602.48)(216.0643, 1988.24) 1 193.0742 193.0742@3.9442565 + 468.3534@3.9452536 3.9452536 (469.3607, 12783.94)(470.3609, 2521.36)(471.3631, 626.93) 1 468.3534 468.3534@3.9452536 + 919.6791@3.946251 3.946251 (920.6863, 4707.8)(921.6904, 2880.2) 1 919.6791 919.6791@3.946251 + 237.0376@3.946251 3.946251 (238.0449, 5099.06)(239.0487, 835.34) 1 237.0376 237.0376@3.946251 + 294.9964@3.9472477 3.9472477 (296.0037, 1536.14) 1 294.9964 294.9964@3.9472477 + 468.8552@3.9472477 3.9472477 (469.8625, 5633.33) 1 468.8552 468.8552@3.9472477 + 339.1897@3.9512362 3.9512362 (340.1969, 3165.57)(341.2019, 926.81) 1 339.1897 339.1897@3.9512362 + 840.597@3.8483117 3.8483117 (841.60425, 1911.8325)(842.6082, 1220.035) 4 840.597 840.597@3.8483117 + 927.6577@3.9641988 3.9641988 (928.665, 1257.71)(929.6677, 740.95) 1 927.6577 927.6577@3.9641988 + 841.0976@3.9771614 3.9771614 (842.1049, 1997.24) 1 841.0976 841.0976@3.9771614 + 454.8392@3.989127 3.989127 (455.8464, 1384.21) 1 454.8392 454.8392@3.989127 + 489.3145@3.9931152 3.9931152 (490.3218, 1757.45) 1 489.3145 489.3145@3.9931152 + 682.1572@3.9022846 3.9022846 (683.1655, 1887.9867)(684.17566, 547.84) 3 682.1572 682.1572@3.9022846 + 236.0799@4.001092 4.001092 (237.0876, 2702.5)(238.0905, 861.89)(239.0865, 854.57)(219.0762, 2769.63)(220.078, 931.55) 1 236.0799 236.0799@4.001092 + 741.4828@4.0150514 4.0150514 (742.49, 1312.63) 1 741.4828 741.4828@4.0150514 + 371.2301@4.017046 4.017046 (372.2374, 7477.11)(373.2414, 2239.48)(374.2417, 1083.96) 1 371.2301 371.2301@4.017046 + 635.3907@4.0240254 4.0240254 (636.398, 12453.73)(637.4018, 4972.63)(638.4022, 1540.3) 1 635.3907 635.3907@4.0240254 + 759.8782@4.0250225 4.0250225 (760.8855, 1141.06)(761.8983, 771.0) 1 759.8782 759.8782@4.0250225 + 183.0565@4.0698915 4.0698915 (184.0638, 5465.62)(206.0455, 2159.7) 1 183.0565 183.0565@4.0698915 + 658.8065@4.0115128 4.0115128 (659.8147, 1537.7666) 3 658.8065 658.8065@4.0115128 + 619.4432@4.0303063 4.0303063 (620.4509, 2701.065)(621.4514, 969.36) 2 619.4432 619.4432@4.0303063 + 658.139@3.9818766 3.9818766 (659.1457, 2155.6902)(660.14825, 1145.9249) 6 658.139 658.139@3.9818766 + 638.7923@4.011907 4.011907 (639.79877, 2598.9233)(640.8021, 1154.54) 3 638.7923 638.7923@4.011907 + 503.3746@4.0938206 4.0938206 (504.3819, 4828.23) 1 503.3746 503.3746@4.0938206 + 1128.6779@4.095815 4.095815 (1129.6852, 1075.23) 1 1128.6779 1128.6779@4.095815 + 387.2462@4.0968122 4.0968122 (388.2535, 82855.95)(389.2569, 15520.02)(390.2592, 3187.48) 1 387.2462 387.2462@4.0968122 + 370.2198@4.098806 4.098806 (371.2268, 4331.99)(393.2101, 1163.41) 1 370.2198 370.2198@4.098806 + 862.6099@4.1057854 4.1057854 (863.6172, 1516.31)(864.6241, 1044.09) 1 862.6099 862.6099@4.1057854 + 266.0013@4.1067824 4.1067824 (267.0086, 2860.1) 1 266.0013 266.0013@4.1067824 + 497.2807@4.1141515 4.1141515 (498.28833, 3189.655)(480.2788, 3678.11)(481.2824, 976.54) 2 497.2807 497.2807@4.1141515 + 490.8683@4.158476 4.158476 (491.87537, 5330.4404)(492.87155, 1337.075) 2 490.8683 490.8683@4.158476 + 490.3669@4.125726 4.125726 (491.3742, 17130.38)(492.3761, 4673.59)(493.3606, 881.85) 1 490.3669 490.3669@4.125726 + 963.7067@4.128718 4.128718 (964.714, 3699.43)(965.7166, 1941.12)(966.7178, 901.53) 1 963.7067 963.7067@4.128718 + 751.5372@4.129715 4.129715 (752.5445, 1739.96)(753.5466, 666.53) 1 751.5372 751.5372@4.129715 + 173.1415@4.1406817 4.1406817 (174.1487, 7459.22)(175.151, 930.97)(156.1386, 1226.77) 1 173.1415 173.1415@4.1406817 + 447.2629@4.2488976 4.2488976 (448.27234, 3107.6975)(449.27466, 1157.995)(430.2594, 662.86) 9 447.2629 447.2629@4.2488976 + 232.0848@4.1636143 4.1636143 (233.092, 9965.39)(234.096, 1554.19)(255.0748, 3215.89) 1 232.0848 232.0848@4.1636143 + 114.0426@4.169596 4.169596 (115.0499, 21256.66)(116.0588, 914.44) 1 114.0426 114.0426@4.169596 + 788.8966@4.1705933 4.1705933 (789.9039, 1303.03)(790.9172, 699.91) 1 788.8966 788.8966@4.1705933 + 132.0533@4.1705933 4.1705933 (133.0605, 39403.75)(134.0654, 1630.01)(155.0425, 38953.98)(156.0461, 2142.87) 1 132.0533 132.0533@4.1705933 + 430.1939@4.1715903 4.1715903 (431.2012, 2242.97)(432.2061, 662.53) 1 430.1939 430.1939@4.1715903 + 176.0172@4.1715903 4.1715903 (177.0244, 8610.23) 1 176.0172 176.0172@4.1715903 + 89.0476@4.1715903 4.1715903 (90.0549, 6423.23) 1 89.0476 89.0476@4.1715903 + 365.256@4.1865454 4.1865454 (366.2632, 17972.94)(367.2665, 4909.48) 1 365.256 365.256@4.1865454 + 711.8423@4.1353154 4.1353154 (712.8509, 2338.7065) 3 711.8423 711.8423@4.1353154 + 615.1064@4.2054887 4.2054887 (616.1137, 1901.39) 1 615.1064 615.1064@4.2054887 + 750.538@4.1366014 4.1366014 (751.5442, 1549.8301)(752.545, 1468.79) 2 750.538 750.538@4.1366014 + 788.898@4.209477 4.209477 (789.9053, 1389.38) 1 788.898 788.898@4.209477 + 325.2248@4.210474 4.210474 (326.232, 27914.76)(327.2356, 5898.74)(328.2392, 1986.37)(343.2615, 674.74) 1 325.2248 325.2248@4.210474 + 711.5081@4.1153364 4.1153364 (712.51544, 2454.06)(713.5189, 1081.3259) 6 711.5081 711.5081@4.1153364 + 231.1977@4.2353992 4.2353992 (485.3844, 1103.0)(232.205, 1780.98) 1 231.1977 231.1977@4.2353992 + 237.0864@4.23839 4.23839 (238.0941, 2703.56)(260.075, 2971.49) 1 237.0864 237.0864@4.23839 + 679.4173@4.2523484 4.2523484 (680.4245, 10671.21)(681.4284, 3989.63)(682.4286, 1665.14) 1 679.4173 679.4173@4.2523484 + 311.1943@4.2732854 4.2732854 (312.2015, 27050.74)(313.2059, 4205.71) 1 311.1943 311.1943@4.2732854 + 878.4332@4.27827 4.27827 (879.4405, 786.8)(880.4445, 684.36) 1 878.4332 878.4332@4.27827 + 1007.7338@4.287243 4.287243 (1008.7411, 2935.23)(1009.7414, 1395.16)(1010.7455, 817.66) 1 1007.7338 1007.7338@4.287243 + 512.3793@4.28824 4.28824 (513.3865, 21710.05)(514.3887, 5200.87) 1 512.3793 512.3793@4.28824 + 492.1056@4.2962155 4.2962155 (493.1129, 1607.92) 1 492.1056 492.1056@4.2962155 + 283.0915@4.3071823 4.3071823 (284.0987, 2978.57)(285.1001, 1141.81)(306.0807, 3907.58) 1 283.0915 283.0915@4.3071823 + 687.8242@4.234551 4.234551 (688.8308, 1906.8225) 4 687.8242 687.8242@4.234551 + 764.8781@4.3081794 4.3081794 (765.8853, 1309.71)(766.8883, 841.93) 1 764.8781 764.8781@4.3081794 + 706.8354@4.26416 4.26416 (707.843, 1993.8)(708.84686, 1071.055) 2 706.8354 706.8354@4.26416 + 250.0966@4.310173 4.310173 (251.1039, 5011.75) 1 250.0966 250.0966@4.310173 + 985.6544@4.285766 4.285766 (986.6624, 1349.4501)(987.66486, 840.07) 3 985.6544 985.6544@4.285766 + 841.9264@4.323456 4.323456 (842.93353, 1162.4551) 2 841.9264 841.9264@4.323456 + 271.2148@4.3971887 4.3971887 (272.22156, 3091.585)(273.22305, 881.04) 2 271.2148 271.2148@4.3971887 + 184.0575@4.358028 4.358028 (185.0648, 2492.83) 1 184.0575 184.0575@4.358028 + 143.1672@4.416841 4.416841 (144.17442, 19107.451)(145.1773, 2327.95)(166.1579, 577.25) 3 143.1672 143.1672@4.416841 + 218.0056@4.3853774 4.3853774 (219.01306, 2521.685) 12 218.0056 218.0056@4.3853774 + 224.102@4.377967 4.377967 (225.1093, 28432.84)(226.1137, 3239.56)(247.091, 3130.98)(248.0952, 719.85) 1 224.102 224.102@4.377967 + 431.2724@4.392921 4.392921 (432.2797, 41374.8)(433.2831, 9288.88)(434.2856, 2295.79) 1 431.2724 431.2724@4.392921 + 356.1438@4.4128594 4.4128594 (357.151, 5382.41)(358.153, 1244.83)(339.1412, 1263.87) 1 356.1438 356.1438@4.4128594 + 799.5671@4.414853 4.414853 (800.5743, 1265.28) 1 799.5671 799.5671@4.414853 + 301.1385@4.4347916 4.4347916 (302.1458, 8796.12)(303.1484, 1475.06) 1 301.1385 301.1385@4.4347916 + 723.443@4.456724 4.456724 (724.4502, 7366.04)(725.454, 2705.39)(726.4545, 1054.81) 1 723.443 723.443@4.456724 + 133.0199@4.466693 4.466693 (134.0272, 3221.55) 1 133.0199 133.0199@4.466693 + 175.0301@4.466693 4.466693 (176.0374, 9959.1)(177.0416, 1370.76) 1 175.0301 175.0301@4.466693 + 266.9973@4.46769 4.46769 (268.0046, 9551.06)(269.0074, 944.34)(270.0029, 690.07) 1 266.9973 266.9973@4.46769 + 223.0338@4.469684 4.469684 (224.041, 5810.48) 1 223.0338 223.0338@4.469684 + 324.9556@4.4736714 4.4736714 (325.9628, 1653.56) 1 324.9556 324.9556@4.4736714 + 863.9374@4.490619 4.490619 (864.9446, 865.83)(865.9453, 647.32) 1 863.9374 863.9374@4.490619 + 183.0909@4.5235167 4.5235167 (184.0982, 3128.64)(185.1022, 868.66) 1 183.0909 183.0909@4.5235167 + 590.9366@4.5444508 4.5444508 (591.9439, 879.22)(592.9363, 552.74) 1 590.9366 590.9366@4.5444508 + 569.9155@4.545448 4.545448 (570.9228, 1720.54) 1 569.9155 569.9155@4.545448 + 462.0898@4.6560993 4.6560993 (463.097, 3952.36)(464.1003, 1302.62) 1 462.0898 462.0898@4.6560993 + 435.152@4.657096 4.657096 (436.1592, 4828.09)(437.1636, 1293.82) 1 435.152 435.152@4.657096 + 744.5278@4.6600866 4.6600866 (745.535, 1963.56)(746.5471, 878.48) 1 744.5278 744.5278@4.6600866 + 475.2991@4.6610837 4.6610837 (476.3064, 26186.87)(477.3096, 6645.16)(478.3113, 1041.34) 1 475.2991 475.2991@4.6610837 + 507.2821@4.724288 4.724288 (508.29062, 1819.7256)(509.2918, 1119.0281) 7 507.2821 507.2821@4.724288 + 733.5049@4.739431 4.739431 (734.51154, 1403.94)(735.5166, 1035.04) 3 733.5049 733.5049@4.739431 + 833.4947@4.749549 4.749549 (834.50085, 2137.5525)(835.5019, 1077.82) 4 833.4947 833.4947@4.749549 + 805.5771@4.743813 4.743813 (806.5847, 1983.2551)(807.5867, 1130.255) 2 805.5771 805.5771@4.743813 + 217.0742@4.7904 4.7904 (218.08131, 2229.4128)(235.10835, 11080.192)(236.11235, 2001.818) 7 217.0742 217.0742@4.7904 + 555.3691@4.7674255 4.7674255 (556.37683, 3826.0898)(573.4028, 723.69) 2 555.3691 555.3691@4.7674255 + 1139.8105@4.7667465 4.7667465 (1140.8177, 1349.92)(1141.823, 828.44) 1 1139.8105 1139.8105@4.7667465 + 745.5073@4.717695 4.717695 (746.5194, 1372.37)(747.526, 1072.76) 2 745.5073 745.5073@4.717695 + 908.5386@4.7057714 4.7057714 (909.5458, 19542.33)(910.5489, 10207.115)(911.55493, 4202.4004)(912.5614, 1118.435)(931.5272, 7879.965)(932.5316, 4177.925)(933.53925, 2279.9849)(934.5471, 635.18) 2 908.5386 908.5386@4.7057714 + 497.2805@4.7575192 4.7575192 (498.28836, 5230.672)(499.3025, 2763.9631)(500.2869, 1225.46)(480.27768, 5002.7935)(481.2821, 1708.1333)(482.2817, 722.8) 6 497.2805 497.2805@4.7575192 + 988.4843@4.7747207 4.7747207 (989.4916, 1389.02)(990.5033, 748.28) 1 988.4843 988.4843@4.7747207 + 903.583@4.708762 4.708762 (904.5902, 24435.8)(905.593, 12631.311)(906.5968, 4566.93)(907.5984, 1232.925) 2 903.583 903.583@4.708762 + 887.5604@4.7777114 4.7777114 (888.5676, 19128.0)(889.5701, 6252.0)(890.5754, 2037.43)(891.5758, 591.98) 1 887.5604 887.5604@4.7777114 + 428.2813@4.771033 4.771033 (429.2888, 3390.2136)(430.28845, 1134.48) 3 428.2813 428.2813@4.771033 + 814.5323@4.781357 4.781357 (815.53955, 1974.095)(816.54456, 856.395) 2 814.5323 814.5323@4.781357 + 766.5328@4.7746677 4.7746677 (767.5399, 12553.189) 5 766.5328 766.5328@4.7746677 + 835.6188@4.783772 4.783772 (836.62616, 2638.64)(837.6286, 1659.4366)(838.6375, 1147.7) 3 835.6188 835.6188@4.783772 + 807.5898@4.7946353 4.7946353 (808.5981, 3041.1648)(809.60046, 1423.9199)(810.60675, 1556.28) 2 807.5898 807.5898@4.7946353 + 752.5538@4.794229 4.794229 (753.56024, 2790.8801)(754.5649, 4239.09)(755.5444, 1490.99)(775.54395, 939.06) 7 752.5538 752.5538@4.794229 + 414.2614@4.7346387 4.7346387 (415.2688, 5804.707)(416.2694, 1750.9275) 9 414.2614 414.2614@4.7346387 + 880.5067@4.730446 4.730446 (881.5146, 3653.99)(882.51776, 1773.49)(883.5292, 1774.19)(903.49585, 1699.955)(904.4995, 1183.865) 2 880.5067 880.5067@4.730446 + 797.5652@4.794972 4.794972 (798.5736, 3437.925)(799.5777, 1897.66)(800.5598, 2863.1748)(801.5595, 2620.0)(802.5696, 1334.31) 4 797.5652 797.5652@4.794972 + 314.257@4.9047513 4.9047513 (315.26447, 4177.3965)(316.26703, 1064.4377)(317.2578, 699.08)(337.2423, 557.06) 14 314.257 314.257@4.9047513 + 652.8997@4.816586 4.816586 (653.907, 6581.22)(654.9104, 1591.09) 1 652.8997 652.8997@4.816586 + 589.8952@4.8223433 4.8223433 (590.90155, 2050.9526) 4 589.8952 589.8952@4.8223433 + PE(P-18:0/22:4(7Z,10Z,13Z,16Z)) 4.829559 PE(P-18:0/22:4(7Z,10Z,13Z,16Z)) [ C45 H82 N O7 P, db=62.88, overall=62.88, HMP ID=HMDB11391, METLIN ID=62195 ] (780.587, 3795.812)(781.59125, 1839.6093)(782.6027, 3072.67)(802.57227, 1233.165)(803.5757, 840.53) 13 779.579 PE(P-18:0/22:4(7Z,10Z,13Z,16Z)) HMDB11391 + 910.554@4.8275504 4.8275504 (911.5613, 1142.76)(912.562, 878.3) 1 910.554 910.554@4.8275504 + 159.1061@4.847486 4.847486 (160.1134, 6394.72)(161.109, 1007.45) 1 159.1061 159.1061@4.847486 + 603.3461@4.8763924 4.8763924 (604.3534, 1954.06)(605.3589, 708.52) 1 603.3461 603.3461@4.8763924 + 497.2817@4.8963275 4.8963275 (498.2887, 1459.32)(480.2786, 1834.25) 1 497.2817 497.2817@4.8963275 + 472.8303@4.922243 4.922243 (473.8376, 1946.35) 1 472.8303 472.8303@4.922243 + 1001.5218@4.925233 4.925233 (1002.5291, 809.97) 1 1001.5218 1001.5218@4.925233 + 519.7384@4.9272265 4.9272265 (520.7457, 2107.33) 1 519.7384 519.7384@4.9272265 + 476.828@4.9282236 4.9282236 (477.8353, 4866.51) 1 476.828 476.828@4.9282236 + 474.8293@4.9282236 4.9282236 (475.8366, 6062.47) 1 474.8293 474.8293@4.9282236 + 1461.3336@4.9282236 4.9282236 (1462.341, 2176.82)(1463.3422, 1081.55)(1464.3424, 3071.63)(1465.342, 959.01)(1466.3378, 2973.66) 1 1461.3336 1461.3336@4.9282236 + 499.7689@4.9282236 4.9282236 (500.7762, 7774.53)(501.7798, 978.0)(502.7742, 22911.56)(503.7766, 2302.68)(504.7719, 21097.46)(505.7754, 1829.7)(506.7702, 6886.48)(507.7752, 600.4) 1 499.7689 499.7689@4.9282236 + 987.5451@4.9282236 4.9282236 (988.5524, 3231.32)(989.5557, 740.11) 1 987.5451 987.5451@4.9282236 + 478.8254@4.92922 4.92922 (479.8327, 2063.82)(480.8351, 682.58) 1 478.8254 478.8254@4.92922 + 979.5555@4.92922 4.92922 (980.5628, 2888.27)(981.5797, 858.76)(982.5592, 7401.44)(983.5641, 1454.71)(984.5569, 10036.4)(985.5611, 1697.26)(986.5546, 7469.78)(987.5593, 1445.62) 1 979.5555 979.5555@4.92922 + 1467.3296@4.930217 4.930217 (1468.3368, 2408.33) 1 1467.3296 1467.3296@4.930217 + 999.5236@4.9352007 4.9352007 (1000.5308, 975.47) 1 999.5236 999.5236@4.9352007 + 661.4532@4.9689684 4.9689684 (662.4595, 1058.5549) 2 661.4532 661.4532@4.9689684 + 633.4292@5.0351424 5.0351424 (634.4378, 3049.54)(635.4385, 535.6867) 3 633.4292 633.4292@5.0351424 + 612.4514@5.1285625 5.1285625 (613.4586, 1424.86)(614.4757, 850.31) 1 612.4514 612.4514@5.1285625 + 605.4437@5.2312193 5.2312193 (606.4509, 1656.3)(607.455, 521.81) 1 605.4437 605.4437@5.2312193 + 576.4221@5.2581286 5.2581286 (577.4294, 1607.2)(578.4317, 664.37) 1 576.4221 576.4221@5.2581286 + 881.5783@5.397503 5.397503 (882.593, 1938.5801)(883.59576, 1219.0817)(884.60986, 1093.135) 6 881.5783 881.5783@5.397503 + 502.3136@5.2971797 5.2971797 (503.32056, 1508.145)(504.323, 783.76) 4 502.3136 502.3136@5.2971797 + 244.0669@5.305967 5.305967 (245.0742, 14075.85)(246.0773, 1306.87) 1 244.0669 244.0669@5.305967 + 656.4759@5.308957 5.308957 (657.4832, 1452.55)(658.4928, 791.85) 1 656.4759 656.4759@5.308957 + 598.4344@5.349818 5.349818 (599.4417, 1795.37) 1 598.4344 598.4344@5.349818 + 919.5381@5.372228 5.372228 (920.5449, 2030.5026)(921.54565, 1243.4202)(922.55444, 4097.7646)(923.5582, 2179.045)(924.5633, 2188.97) 4 919.5381 919.5381@5.372228 + 1099.4923@5.3691587 5.3691587 (1100.4985, 857.765)(1101.5029, 564.49) 2 1099.4923 1099.4923@5.3691587 + 830.5642@5.4091353 5.4091353 (1684.1095, 719.51)(831.56726, 47455.875) 7 830.5642 830.5642@5.4091353 + 840.0444@5.3782554 5.3782554 (841.05206, 2234.9028) 7 840.0444 840.0444@5.3782554 + 921.547@5.3867507 5.3867507 (922.5552, 3724.5369)(923.5578, 2264.9854)(924.5555, 2683.7102)(925.527, 357.17)(944.5411, 650.53) 12 921.547 921.547@5.3867507 + 841.5038@5.378744 5.378744 (842.5105, 3787.7603)(843.51495, 2147.5977)(859.54, 1103.3) 4 841.5038 841.5038@5.378744 + 869.5872@5.377622 5.377622 (870.5954, 3542.895)(871.59827, 2272.7576)(872.6105, 1447.4299)(887.6231, 793.82) 4 869.5872 869.5872@5.377622 + 890.5371@5.4708157 5.4708157 (891.5389, 2314.0334)(892.5462, 1110.6167)(893.5547, 672.225) 3 890.5371 890.5371@5.4708157 + 878.6336@5.4147167 5.4147167 (879.6415, 2567.6938)(880.6263, 1392.41)(896.661, 1065.93)(897.6773, 634.73) 5 878.6336 878.6336@5.4147167 + 1229.8286@5.4222097 5.4222097 (1230.83, 2088.32)(1231.8413, 1703.66) 5 1229.8286 1229.8286@5.4222097 + 1229.331@5.41489 5.41489 (1230.3292, 2128.004)(1231.3384, 2795.82)(1232.3364, 3296.21) 5 1229.331 1229.331@5.41489 + 885.5058@5.3914804 5.3914804 (886.51514, 3886.8079)(887.5172, 2377.1401)(888.5205, 2538.005)(889.52435, 1367.3601)(890.53955, 1117.695) 5 885.5058 885.5058@5.3914804 + 821.0458@5.4081917 5.4081917 (1660.125, 2221.7634)(1661.1295, 2294.9802)(1662.1378, 3951.46)(822.0542, 1303.7584)(823.05927, 1300.9166)(824.0603, 1285.36)(804.0441, 3195.57) 6 821.0458 821.0458@5.4081917 + 1256.3284@5.407961 5.407961 (1257.3405, 1415.61)(1258.3435, 1625.7319)(1259.3474, 1694.276)(1260.3531, 1290.66)(1261.3287, 1511.78)(1279.3372, 1509.36)(1280.3425, 1431.75) 6 1256.3284 1256.3284@5.407961 + 891.6442@5.454087 5.454087 (892.6531, 21006.219)(893.6559, 9452.295)(894.6647, 2135.24) 2 891.6442 891.6442@5.454087 + 675.445@5.412731 5.412731 (676.4528, 1606.4266)(677.46356, 877.6533) 3 675.445 675.445@5.412731 + 841.5615@5.407018 5.407018 (842.56805, 11337.169)(843.57275, 6248.287) 6 841.5615 841.5615@5.407018 + 1647.1289@5.415445 5.415445 (1648.1295, 1588.11)(1649.1315, 1618.3165)(1650.1265, 1172.76)(1651.1185, 1089.53)(1670.1213, 654.32495)(1671.1198, 614.5)(1672.1288, 772.49) 3 1647.1289 1647.1289@5.415445 + 1273.821@5.418302 5.418302 (1274.826, 1550.2601)(1275.8281, 1175.38)(1276.8296, 1066.97)(1277.8279, 367.82)(1278.8344, 853.4) 3 1273.821 1273.821@5.418302 + 1265.3267@5.421251 5.421251 (1266.3322, 2039.1984)(1267.3348, 1776.515)(1268.3373, 1510.1066) 6 1265.3267 1265.3267@5.421251 + 1647.618@5.4100795 5.4100795 (1648.624, 1790.31)(1649.6304, 1635.9926)(1650.6328, 1106.8534) 6 1647.618 1647.618@5.4100795 + 1633.1033@5.409925 5.409925 (1634.1185, 9268.96)(1635.1141, 13889.84)(1636.1207, 12215.87) 3 1633.1033 1633.1033@5.409925 + 1633.606@5.4155197 5.4155197 (1634.6135, 1816.0747)(1635.6171, 2393.3062)(1636.623, 2103.03)(1637.628, 1445.4067)(1638.6354, 762.4)(1639.6384, 430.87)(1616.6106, 1552.66)(1617.6177, 1343.75)(1618.6208, 852.26)(1651.6333, 661.04)(1652.6112, 548.9)(1653.6079, 778.6)(1654.6129, 692.66)(1656.6003, 520.61) 13 1633.606 1633.606@5.4155197 + 1620.1038@5.434045 5.434045 (1621.1189, 1331.195)(1622.1224, 2148.6199)(1623.1279, 2174.82)(1624.1237, 2543.84)(1625.1282, 1188.24)(1603.1049, 1454.54)(1638.137, 5703.25)(1639.143, 4637.57)(1640.1539, 4638.0) 4 1620.1038 1620.1038@5.434045 + 1648.623@5.412666 5.412666 (1649.631, 2006.75)(1650.6389, 1433.28)(1651.6371, 962.39) 3 1648.623 1648.623@5.412666 + 1277.8254@5.3985386 5.3985386 (1278.8329, 1143.93)(1279.836, 1209.0875)(1280.8418, 1010.29004)(1281.8306, 631.195) 4 1277.8254 1277.8254@5.3985386 + 817.5061@5.415305 5.415305 (818.5124, 6501.336)(819.5167, 3654.28) 5 817.5061 817.5061@5.415305 + 1217.3163@5.405306 5.405306 (1218.3242, 3361.6) 2 1217.3163 1217.3163@5.405306 + 1662.1342@5.4155383 5.4155383 (1663.1421, 2624.4934)(1664.1461, 1918.7433)(1665.1471, 1332.5468) 3 1662.1342 1662.1342@5.4155383 + 1635.1136@5.4473352 5.4473352 (1636.125, 4358.465)(1637.1259, 3340.0273)(1638.131, 3553.2974)(1639.1332, 582.15) 4 1635.1136 1635.1136@5.4473352 + 1260.8147@5.4493856 5.4493856 (1261.8248, 1445.815)(1262.8259, 1606.69)(1263.8326, 928.4) 2 1260.8147 1260.8147@5.4493856 + 1245.8453@5.5305634 5.5305634 (1246.8436, 2859.91)(1247.8495, 2579.975)(1248.8555, 2180.7048)(1249.8612, 1059.5967) 10 1245.8453 1245.8453@5.5305634 + 823.0514@5.4478893 5.4478893 (824.063, 1365.405)(825.05695, 1131.295) 2 823.0514 823.0514@5.4478893 + 849.6069@5.4567275 5.4567275 (850.61945, 4459.7563)(851.62354, 2576.99)(852.6213, 2543.38) 3 849.6069 849.6069@5.4567275 + 1655.1161@5.4219136 5.4219136 (1656.1229, 908.9467)(1657.1215, 843.1533)(1658.1149, 843.9634)(1678.1058, 1196.58)(1679.112, 1209.33)(1680.114, 1029.69) 3 1655.1161 1655.1161@5.4219136 + 1667.0974@5.408618 5.408618 (1668.1047, 943.89)(1669.122, 924.49)(1670.1049, 974.31)(1671.1234, 444.53) 1 1667.0974 1667.0974@5.408618 + 1621.1183@5.4323683 5.4323683 (1622.122, 2207.6345)(1623.1248, 2370.5078)(1624.1337, 2436.549)(1625.1377, 2164.135)(1626.1345, 1830.2988)(1627.1366, 1896.42)(1628.1361, 1533.08)(1639.1426, 4646.8765)(1640.1519, 4438.15)(1641.1578, 3464.4448)(1644.1158, 1328.49)(1645.1099, 1212.37)(1646.1215, 1912.55)(1647.1152, 1751.44)(1648.1207, 1422.94)(1649.1215, 837.24)(1650.1171, 996.64) 16 1621.1183 1621.1183@5.4323683 + 1635.6188@5.4189754 5.4189754 (1636.6252, 3793.8198)(1637.6321, 3021.79)(1638.6406, 2270.15)(1639.6389, 1150.03) 2 1635.6188 1635.6188@5.4189754 + 1252.3204@5.4252768 5.4252768 (1253.3298, 1840.8328)(1254.333, 2163.4521)(1255.3383, 1797.0433) 10 1252.3204 1252.3204@5.4252768 + 1252.8203@5.4218683 5.4218683 (1253.8298, 2645.5828)(1254.8339, 2029.0115)(1255.8398, 1919.4299) 7 1252.8203 1252.8203@5.4218683 + 6''-Hydroxysiphonaxanthin 5.4896264 6''-Hydroxysiphonaxanthin [ C40 H56 O5, db=55.56, overall=55.56, Lipid ID=LMPR01070204, METLIN ID=41455 ] (1233.8379, 4783.055)(1234.8434, 3310.5288)(1235.8511, 2668.45)(1236.835, 1089.35)(1237.8295, 1268.31)(1238.8254, 471.05)(1215.826, 1944.26) 15 1232.839 6''-Hydroxysiphonaxanthin + LMPR01070204 1205.8177@5.442287 5.442287 (1206.8278, 3628.4128)(1207.8427, 1518.07)(1208.842, 816.51) 7 1205.8177 1205.8177@5.442287 + 787.5676@5.4136014 5.4136014 (788.5748, 3967.91)(789.5585, 2367.1) 1 787.5676 787.5676@5.4136014 + 1642.6095@5.415594 5.415594 (1643.6168, 989.02)(1644.6127, 1085.27)(1645.6145, 921.83) 1 1642.6095 1642.6095@5.415594 + 914.5353@5.41502 5.41502 (915.5419, 1862.87)(916.54926, 1406.3049)(917.5437, 979.28) 2 914.5353 914.5353@5.41502 + 1623.1333@5.4366145 5.4366145 (1624.1329, 3598.216)(1625.1377, 3064.3772)(1626.1401, 2310.1882)(1627.1376, 1821.5499)(1628.1263, 1051.79)(1641.1548, 1770.4)(1642.1547, 1415.22)(1646.1237, 2260.16)(1647.1263, 2008.36)(1648.1306, 1655.25) 7 1623.1333 1623.1333@5.4366145 + 1226.3354@5.446541 5.446541 (1227.3418, 1781.15)(1228.3369, 1665.585)(1229.3359, 1820.0133)(1230.3405, 1832.55)(1231.3391, 1187.59) 4 1226.3354 1226.3354@5.446541 + 1596.6097@5.4397745 5.4397745 (1597.6078, 1220.11)(1598.6115, 1194.8)(1599.6152, 1265.09) 4 1596.6097 1596.6097@5.4397745 + 519.0386@5.4228935 5.4228935 (520.0459, 1478.665) 2 519.0386 519.0386@5.4228935 + 1261.3275@5.429651 5.429651 (1262.3318, 1456.54)(1263.3297, 1633.875)(1264.3374, 1544.24) 2 1261.3275 1261.3275@5.429651 + 803.0384@5.4463663 5.4463663 (804.0447, 3343.6365)(805.0494, 1106.15) 15 803.0384 803.0384@5.4463663 + 1247.824@5.4811907 5.4811907 (1248.8461, 1627.4999)(1249.842, 1402.0272)(1250.8356, 1400.1901) 8 1247.824 1247.824@5.4811907 + 1193.8181@5.455834 5.455834 (1194.8263, 2685.8477)(1195.8334, 1735.93)(1196.8334, 2155.72)(1211.8401, 1705.64)(1212.838, 1556.0)(1213.8442, 1341.53) 10 1193.8181 1193.8181@5.455834 + 831.0674@5.459536 5.459536 (832.0747, 3097.4333)(833.0829, 1574.73)(834.0859, 926.59) 3 831.0674 831.0674@5.459536 + 1255.334@5.4546824 5.4546824 (1256.3401, 1326.4099)(1257.3408, 1067.334)(1258.3453, 948.57745) 5 1255.334 1255.334@5.4546824 + 1597.1113@5.45918 5.45918 (1598.1204, 2047.0784)(1599.1206, 2490.04)(1600.1316, 2846.8647)(1580.122, 1105.42)(1581.1213, 1124.44)(1582.1262, 1008.73)(1615.1421, 4381.6)(1616.1516, 4485.365)(1617.1583, 4497.68)(1618.164, 3564.86) 7 1597.1113 1597.1113@5.45918 + 1632.6062@5.4365225 5.4365225 (1633.6134, 1183.17) 1 1632.6062 1632.6062@5.4365225 + 1653.1132@5.4440465 5.4440465 (1654.118, 1282.0857)(1655.119, 1173.6486)(1656.1261, 1136.12)(1657.1287, 1046.435)(1658.1337, 1596.65) 7 1653.1132 1653.1132@5.4440465 + 871.5399@5.44333 5.44333 (872.5506, 19337.594)(873.5544, 9385.893)(874.56445, 9613.443)(875.5731, 2770.0698)(876.5884, 2313.0)(894.543, 4468.85) 15 871.5399 871.5399@5.44333 + 1665.149@5.4404283 5.4404283 (1666.1547, 1148.63)(1667.1516, 713.08)(1668.1536, 665.36) 2 1665.149 1665.149@5.4404283 + 1207.8308@5.4641466 5.4641466 (1208.8373, 5290.62)(1209.8453, 4953.462)(1210.85, 2881.0376) 5 1207.8308 1207.8308@5.4641466 + 1615.1475@5.4551845 5.4551845 (1616.1522, 5793.225)(1617.1553, 4678.8604)(1618.1505, 3773.037)(1619.1631, 3059.57) 9 1615.1475 1615.1475@5.4551845 + 1611.6191@5.45216 5.45216 (1612.626, 2927.21)(1613.6318, 2504.95)(1614.6383, 1922.1951)(1615.6466, 1215.54) 2 1611.6191 1611.6191@5.45216 + 1262.8276@5.443892 5.443892 (1263.8281, 1376.8475)(1264.831, 1074.0875)(1265.8243, 1700.0665)(1266.8306, 1184.1699)(1267.8308, 1345.865)(1285.8243, 710.07)(1286.8274, 674.18)(1287.8232, 715.79) 4 1262.8276 1262.8276@5.443892 + 1227.8318@5.475297 5.475297 (1228.8394, 1180.985)(1229.8339, 1501.8328)(1230.8364, 1522.142)(1250.8313, 916.59)(1251.8354, 1349.85)(1252.8364, 1368.28) 8 1227.8318 1227.8318@5.475297 + 1625.6298@5.506646 5.506646 (1626.634, 1553.03)(1627.6384, 1308.075)(1628.636, 1064.085) 2 1625.6298 1625.6298@5.506646 + 1241.8354@5.437126 5.437126 (1242.8354, 2210.716)(1243.8405, 2080.476)(1244.8395, 2124.7358)(1264.8287, 1198.36)(1265.8296, 1577.09)(1266.8328, 1425.15) 5 1241.8354 1241.8354@5.437126 + 1200.3322@5.487112 5.487112 (1201.3381, 1463.6499)(1202.3383, 1366.9701)(1203.3379, 1307.498)(1183.3306, 4593.385) 6 1200.3322 1200.3322@5.487112 + 1234.8394@5.462365 5.462365 (1235.848, 2700.817)(1236.8439, 1817.9999)(1237.8396, 2163.3901)(1238.8315, 1789.28)(1239.8314, 1217.77)(1257.8271, 943.115)(1258.8252, 1343.6)(1259.8257, 1238.08) 7 1234.8394 1234.8394@5.462365 + 851.5352@5.453878 5.453878 (852.5425, 2510.7349)(853.5447, 1532.79) 2 851.5352 851.5352@5.453878 + 844.077@5.4625516 5.4625516 (845.08344, 1451.0732)(846.08813, 806.44) 3 844.077 844.077@5.4625516 + 1242.3337@5.4481745 5.4481745 (1243.3391, 1525.9114)(1244.3413, 1648.1749)(1245.341, 1402.2119)(1265.3262, 1733.33)(1266.3322, 2194.98)(1267.3346, 1768.28) 7 1242.3337 1242.3337@5.4481745 + 1181.8177@5.470036 5.470036 (1182.8256, 2429.1562) 8 1181.8177 1181.8177@5.470036 + 914.5366@5.4466143 5.4466143 (915.5436, 1998.8075)(916.5458, 1546.865)(917.5527, 761.38995) 4 914.5366 914.5366@5.4466143 + 1600.1257@5.477191 5.477191 (1601.1357, 2453.975)(1602.1381, 2266.636)(1603.1403, 1791.5222)(1618.1631, 2149.56)(1619.166, 1240.96)(1620.1707, 1097.67)(1621.1892, 296.98)(1623.1238, 1018.61) 10 1600.1257 1600.1257@5.477191 + 851.6227@5.460441 5.460441 (852.63, 4050.98)(853.6358, 2264.89) 1 851.6227 851.6227@5.460441 + 1222.3499@5.467722 5.467722 (1223.353, 3748.704)(1224.3552, 2759.0554)(1225.3561, 1739.5256)(1226.3413, 1542.7451)(1227.3429, 1735.76) 11 1222.3499 1222.3499@5.467722 + 900.5666@5.457696 5.457696 (901.57635, 2303.04)(902.5637, 901.09) 2 900.5666 900.5666@5.457696 + 1573.111@5.485604 5.485604 (1574.1223, 2288.575)(1575.125, 2347.967)(1576.1301, 2516.9)(1577.1353, 1805.415)(1578.1333, 1384.52)(1579.144, 567.89)(1580.1296, 376.4)(1591.1448, 10864.45)(1592.1562, 12330.41)(1593.1608, 9544.73) 8 1573.111 1573.111@5.485604 + 1573.6041@5.480266 5.480266 (1574.612, 1570.8981)(1575.6195, 1795.9834)(1576.6243, 1858.6)(1577.6324, 1216.25)(1578.6385, 765.05)(1591.6364, 901.96) 5 1573.6041 1573.6041@5.480266 + 787.7175@5.4684134 5.4684134 (788.7248, 2144.68)(789.7345, 840.16) 1 787.7175 787.7175@5.4684134 + 1574.6095@5.4976883 5.4976883 (1575.618, 1961.0125)(1576.6274, 1600.02)(1577.6324, 1430.98)(1578.6417, 537.67)(1592.6324, 795.54)(1593.6237, 906.27)(1594.625, 1068.33) 4 1574.6095 1574.6095@5.4976883 + 1592.1523@5.498202 5.498202 (1593.1582, 4889.7847)(1594.1658, 3523.8745)(1595.1665, 2235.9685)(1596.1708, 760.0801) 7 1592.1523 1592.1523@5.498202 + 1561.6031@5.504195 5.504195 (1562.6115, 1498.772)(1563.6187, 1918.395)(1564.6265, 2701.9277)(1565.632, 1379.135)(1566.6326, 819.025)(1579.6382, 808.86) 10 1561.6031 1561.6031@5.504195 + 1169.8187@5.490814 5.490814 (1170.8262, 1774.4) 7 1169.8187 1169.8187@5.490814 + 1204.832@5.5054426 5.5054426 (1205.8352, 1919.6038)(1206.837, 2064.67)(1207.8422, 1597.1832) 8 1204.832 1204.832@5.5054426 + 784.5806@5.4976807 5.4976807 (785.58813, 929024.75) 2 784.5806 784.5806@5.4976807 + 1527.1276@5.4923315 5.4923315 (1528.1335, 1012.18)(1550.1173, 2818.16) 1 1527.1276 1527.1276@5.4923315 + 1157.8184@5.515632 5.515632 (1158.825, 1994.3477) 13 1157.8184 1157.8184@5.515632 + 823.6044@5.5556 5.5556 (824.60767, 10624.484)(825.6144, 5185.1924)(826.6107, 5227.21) 4 823.6044 823.6044@5.5556 + 797.5876@5.5433307 5.5433307 (1618.1669, 2618.89)(798.5952, 18157.525)(799.5952, 7131.293)(800.6002, 9038.33)(801.6075, 3344.24)(802.5991, 15010.91)(815.6207, 13704.88) 3 797.5876 797.5876@5.5433307 + 1197.8474@5.5109906 5.5109906 (1198.8541, 5440.037)(1199.8604, 3930.7656)(1200.8589, 1673.0879)(1201.8328, 569.65) 11 1197.8474 1197.8474@5.5109906 + 1605.1158@5.487966 5.487966 (1606.1227, 1699.4814)(1607.123, 1640.2599)(1608.1283, 2169.7217)(1609.1293, 2138.21)(1610.1233, 2964.52)(1611.1273, 2367.81)(1612.1191, 3159.02)(1588.1211, 1302.17)(1589.1274, 1201.53) 7 1605.1158 1605.1158@5.487966 + 1286.8724@5.544153 5.544153 (1287.8749, 1327.0)(1309.8656, 1916.15)(1310.8688, 1380.21)(1311.8815, 2229.25) 1 1286.8724 1286.8724@5.544153 + 1226.3224@5.523851 5.523851 (1227.3341, 1436.9899)(1228.3352, 1528.2451)(1229.3439, 1048.21) 3 1226.3224 1226.3224@5.523851 + 873.5478@5.500339 5.500339 (874.5572, 7304.4517)(875.56134, 3222.0386)(876.56323, 1905.8867)(877.5494, 234.31) 8 873.5478 873.5478@5.500339 + 1147.8354@5.5342884 5.5342884 (1148.8416, 2296.5598)(1149.8464, 1743.915) 3 1147.8354 1147.8354@5.5342884 + 1226.835@5.4790707 5.4790707 (1227.8368, 1716.5767)(1228.8385, 1593.3987)(1229.8368, 1950.915)(1230.8401, 880.37)(1231.8359, 2842.27) 9 1226.835 1226.835@5.4790707 + 1551.6187@5.561712 5.561712 (1552.6272, 3068.771)(1553.631, 2178.0752)(1554.636, 1143.81)(1555.6459, 333.04) 10 1551.6187 1551.6187@5.561712 + 1552.1239@5.584272 5.584272 (1553.1317, 2866.894)(1554.1318, 2228.3982)(1555.1327, 1222.7551) 7 1552.1239 1552.1239@5.584272 + 505.3159@5.626274 5.626274 (506.3228, 3451.6099) 2 505.3159 505.3159@5.626274 + 1565.6351@5.615603 5.615603 (1566.6437, 1709.3771)(1567.6481, 1388.1715)(1568.6495, 1020.56006)(1569.6556, 188.9) 7 1565.6351 1565.6351@5.615603 + 1206.333@5.591838 5.591838 (1207.3401, 2711.795)(1208.345, 2924.4302)(1209.3467, 1144.58) 2 1206.333 1206.333@5.591838 + 1206.8356@5.613743 5.613743 (1207.8444, 2786.3733)(1208.8492, 1987.6201)(1209.858, 1429.7) 3 1206.8356 1206.8356@5.613743 + 1161.847@5.572057 5.572057 (1162.8542, 2526.11) 1 1161.847 1161.847@5.572057 + 1553.6298@5.580029 5.580029 (1554.6371, 2027.61) 1 1553.6298 1553.6298@5.580029 + 837.5103@5.620389 5.620389 (838.5163, 2628.455)(839.5143, 1550.75)(840.5172, 1675.06) 2 837.5103 837.5103@5.620389 + 915.5259@5.5599484 5.5599484 (916.53485, 2634.03)(917.54456, 1801.6143)(918.5462, 2133.908)(919.5412, 2785.65)(920.5572, 4542.1)(921.5587, 699.42)(922.5674, 903.62) 7 915.5259 915.5259@5.5599484 + 825.5534@5.6197433 5.6197433 (826.56525, 6120.7266)(827.5662, 1923.66)(828.5569, 2257.09)(829.5536, 495.21)(848.5423, 18651.004)(849.54504, 8940.395) 3 825.5534 825.5534@5.6197433 + 1566.6405@5.593981 5.593981 (1567.6478, 2598.32)(1568.6542, 1261.77) 1 1566.6405 1566.6405@5.593981 + 820.6139@5.602012 5.602012 (821.6261, 3365.99)(822.6249, 2926.5298) 2 820.6139 820.6139@5.602012 + 721.4534@5.5507903 5.5507903 (722.4583, 1159.2999)(723.4656, 755.8)(704.4492, 2209.28)(705.44977, 672.4)(706.4651, 1215.6001) 3 721.4534 721.4534@5.5507903 + 1214.3352@5.5959735 5.5959735 (1215.3425, 1504.45)(1216.3405, 1588.12)(1217.3445, 1072.15) 1 1214.3352 1214.3352@5.5959735 + 1211.8579@5.6029496 5.6029496 (1212.8652, 962.55)(1213.8739, 1533.9)(1214.8755, 1033.42) 1 1211.8579 1211.8579@5.6029496 + 1227.3408@5.5277667 5.5277667 (1228.3395, 1610.6133)(1229.3413, 1419.53)(1230.356, 784.98)(1250.3329, 1503.29)(1251.3354, 1085.29) 3 1227.3408 1227.3408@5.5277667 + 851.6451@5.4977994 5.4977994 (852.65204, 3282.224)(853.6571, 1721.8528)(854.6338, 4671.5464)(855.6351, 2678.73)(874.6265, 1240.01) 7 851.6451 851.6451@5.4977994 + 870.6637@5.599946 5.599946 (871.6696, 4122.0073)(872.6753, 1716.7474)(873.6687, 1028.845) 4 870.6637 870.6637@5.599946 + 212.0562@5.621884 5.621884 (213.0635, 4741.21)(214.0686, 1038.4) 1 212.0562 212.0562@5.621884 + 1121.8304@5.622881 5.622881 (1122.8376, 1402.35)(1123.8413, 1556.12)(1124.8448, 776.69) 1 1121.8304 1121.8304@5.622881 + 343.3615@5.62587 5.62587 (344.3688, 1136.73) 1 343.3615 343.3615@5.62587 + 902.5719@5.661476 5.661476 (903.57043, 792.255)(904.5594, 613.41) 2 902.5719 902.5719@5.661476 + 769.5901@5.64058 5.64058 (770.59656, 6928.129)(771.5996, 3261.1511) 7 769.5901 769.5901@5.64058 + 475.2692@5.628685 5.628685 (476.2775, 3373.0967)(477.2846, 1008.43) 3 475.2692 475.2692@5.628685 + 861.5385@5.6610894 5.6610894 (862.5529, 6712.9165)(863.555, 3509.4333)(864.5621, 3514.05)(884.5294, 7309.065)(885.5324, 5781.3)(886.5435, 12275.11) 3 861.5385 861.5385@5.6610894 + 1282.845@5.6275635 5.6275635 (1283.8506, 3923.1719)(1284.8536, 3092.4353)(1285.8617, 2999.878)(1286.8683, 1817.7633)(1305.835, 2841.7998)(1306.8372, 2780.72)(1307.8447, 3052.745)(1308.8479, 1619.3401)(1309.8619, 2500.665) 6 1282.845 1282.845@5.6275635 + 1011.5366@5.6570716 5.6570716 (1012.54376, 1038.9366)(1013.5467, 696.25) 3 1011.5366 1011.5366@5.6570716 + 1354.8389@5.6328416 5.6328416 (1355.8461, 2069.65)(1356.8518, 1610.2965)(1357.8561, 1214.91)(1358.8582, 621.72) 3 1354.8389 1354.8389@5.6328416 + 827.5478@5.643808 5.643808 (828.5551, 2526.81)(829.5617, 1174.19) 1 827.5478 827.5478@5.643808 + 801.0686@5.6448045 5.6448045 (802.0759, 1761.33)(803.066, 1469.27)(804.0622, 1218.49) 1 801.0686 801.0686@5.6448045 + 1175.3551@5.6521225 5.6521225 (1176.363, 3185.45)(1198.3416, 1344.86) 2 1175.3551 1175.3551@5.6521225 + 1310.872@5.6286626 5.6286626 (1311.8805, 2461.379)(1312.8837, 1863.3489)(1313.887, 1096.1027)(1314.8905, 647.61664)(1333.8619, 2144.2117)(1334.8665, 2111.904)(1335.871, 1540.448)(1336.8796, 1024.95) 11 1310.872 1310.872@5.6286626 + 1302.8116@5.641623 5.641623 (1303.8202, 1818.2983)(1304.8236, 1610.1317)(1305.8346, 2464.2566)(1306.8376, 2845.54)(1307.8478, 3203.67) 6 1302.8116 1302.8116@5.641623 + 790.6038@5.6793327 5.6793327 (791.6125, 3076.2)(792.60596, 1800.6699) 3 790.6038 790.6038@5.6793327 + 1330.8427@5.6401176 5.6401176 (1331.8484, 1343.4467)(1332.8507, 1098.0184)(1333.8615, 1199.7825) 6 1330.8427 1330.8427@5.6401176 + 1179.3673@5.6557665 5.6557665 (1180.3746, 956.93) 1 1179.3673 1179.3673@5.6557665 + 451.2689@5.6577597 5.6577597 (452.2762, 2238.27) 1 451.2689 451.2689@5.6577597 + 826.6229@5.6687217 5.6687217 (827.6302, 1218.88) 1 826.6229 826.6229@5.6687217 + 1298.8618@5.631297 5.631297 (1299.8657, 1168.965) 2 1298.8618 1298.8618@5.631297 + 537.3533@5.67612 5.67612 (538.361, 1624.7476) 4 537.3533 537.3533@5.67612 + 863.5684@5.6856623 5.6856623 (864.5757, 2725.76)(865.5784, 1810.6) 1 863.5684 863.5684@5.6856623 + 958.6029@5.6022506 5.6022506 (959.60815, 3002.6963)(960.61053, 1594.3398)(961.61017, 1037.676)(962.6252, 618.85) 8 958.6029 958.6029@5.6022506 + 1044.5923@5.632413 5.632413 (1045.5984, 1064.005)(1046.5906, 743.835) 2 1044.5923 1044.5923@5.632413 + 419.0074@5.592546 5.592546 (839.02435, 1263.9517)(861.0069, 1328.92)(420.0146, 3249.2876)(421.0153, 775.87)(441.9968, 923.315) 8 419.0074 419.0074@5.592546 + 669.0367@5.61632 5.61632 (670.04376, 2292.0234)(671.047, 699.46)(692.0266, 1166.5433)(693.0267, 668.23) 3 669.0367 669.0367@5.61632 + 880.5577@5.7026014 5.7026014 (881.5646, 2361.385)(882.56946, 1258.2949) 2 880.5577 880.5577@5.7026014 + 817.7456@5.707586 5.707586 (818.7529, 1356.23)(819.765, 696.18) 1 817.7456 817.7456@5.707586 + 815.5346@5.716543 5.716543 (816.5442, 5398.959)(817.5478, 2810.8435)(818.55316, 3415.1501)(838.5247, 2572.5)(839.5182, 1496.96)(840.5391, 2050.14)(841.535, 460.54)(842.526, 784.78) 9 815.5346 815.5346@5.716543 + 874.3118@5.7085824 5.7085824 (875.3191, 1374.21) 1 874.3118 874.3118@5.7085824 + 749.296@5.7105756 5.7105756 (750.304, 2643.14)(751.3095, 1056.16)(772.283, 1213.04)(773.2875, 886.8) 1 749.296 749.296@5.7105756 + 315.9749@5.713565 5.713565 (316.9822, 2757.2) 1 315.9749 315.9749@5.713565 + 1284.8569@5.667411 5.667411 (1285.862, 2713.482)(1286.8687, 2079.2673)(1287.8784, 701.595)(1307.847, 1306.57)(1308.8524, 1065.99) 5 1284.8569 1284.8569@5.667411 + 980.587@5.717551 5.717551 (981.5943, 2533.27)(982.5959, 1364.27)(983.6016, 1293.21) 1 980.587 980.587@5.717551 + 1234.8431@5.771704 5.771704 (1235.8622, 1456.8175)(1236.8655, 1137.6176)(1237.862, 1142.62)(1257.8337, 1326.14)(1258.8396, 973.27)(1259.8489, 1157.245) 4 1234.8431 1234.8431@5.771704 + 970.5473@5.7956147 5.7956147 (971.5549, 1641.0366)(972.56445, 1258.66)(973.5601, 1070.41) 3 970.5473 970.5473@5.7956147 + 926.54@5.719544 5.719544 (927.5473, 15549.78)(928.5503, 8565.56)(929.5622, 18091.0)(930.5661, 9203.77)(931.5749, 6235.75) 1 926.54 926.54@5.719544 + 1101.5697@5.721537 5.721537 (1102.577, 1897.14)(1103.582, 1224.21) 1 1101.5697 1101.5697@5.721537 + 1238.876@5.699883 5.699883 (1239.882, 1573.9501)(1240.8848, 1091.3334)(1241.8772, 726.8525)(1261.8658, 1828.992)(1262.8678, 1305.4539)(1263.8823, 2212.26) 6 1238.876 1238.876@5.699883 + 1565.1333@5.725523 5.725523 (1566.1405, 1238.36)(1567.1471, 1409.95)(1568.1538, 1704.91)(1569.1595, 1875.68)(1570.1628, 940.5) 1 1565.1333 1565.1333@5.725523 + 823.5499@5.728513 5.728513 (824.5572, 25592.6)(825.5602, 12793.65)(826.5624, 6297.17)(827.5635, 1685.29) 1 823.5499 823.5499@5.728513 + 1186.355@5.7295094 5.7295094 (1187.3622, 1410.47)(1188.3687, 1804.46)(1189.3715, 1284.37) 1 1186.355 1186.355@5.7295094 + 1282.8406@5.7176905 5.7176905 (1283.8486, 1592.012)(1284.8499, 1277.6859)(1285.8647, 1443.65)(1286.8683, 748.1) 5 1282.8406 1282.8406@5.7176905 + 1187.862@5.750899 5.750899 (1188.8704, 2611.3108)(1189.8729, 1492.2587)(1190.8542, 634.57) 12 1187.862 1187.862@5.750899 + 1173.3477@5.730506 5.730506 (1174.3549, 1390.82)(1175.3583, 1081.4) 1 1173.3477 1173.3477@5.730506 + 875.5628@5.7118654 5.7118654 (876.5701, 8865.535)(877.57355, 4124.5146)(878.5769, 1953.525)(879.5758, 137.29) 2 875.5628 875.5628@5.7118654 + 172.158@5.7482777 5.7482777 (173.1649, 1749.565) 2 172.158 172.158@5.7482777 + 1011.5394@5.7431674 5.7431674 (1012.5442, 1326.4934)(1013.5459, 898.025) 3 1011.5394 1011.5394@5.7431674 + 114.0426@5.7364407 5.7364407 (115.04994, 11530.3955)(116.053345, 1014.1254)(97.03986, 1959.6602) 13 114.0426 114.0426@5.7364407 + 429.9054@5.790296 5.790296 (430.9127, 1280.64) 1 429.9054 429.9054@5.790296 + 856.5921@5.8183823 5.8183823 (857.5976, 2562.1133)(858.5992, 443.03) 3 856.5921 856.5921@5.8183823 + 789.5262@5.7954884 5.7954884 (790.5348, 5266.462)(791.5379, 2100.4958)(792.54315, 1002.05664) 5 789.5262 789.5262@5.7954884 + 577.4062@5.8030415 5.8030415 (578.41327, 1999.535)(579.4249, 1142.61) 2 577.4062 577.4062@5.8030415 + 408.1792@5.833146 5.833146 (409.1865, 4166.79)(410.1891, 2027.89)(431.1685, 2893.4) 1 408.1792 408.1792@5.833146 + 158.0844@5.8371315 5.8371315 (159.0917, 16012.05)(160.0954, 2362.47) 1 158.0844 158.0844@5.8371315 + 226.0717@5.838128 5.838128 (453.1533, 1255.53)(227.0789, 31983.24)(228.0829, 4437.81) 1 226.0717 226.0717@5.838128 + 836.1692@5.841118 5.841118 (837.1764, 1259.94) 1 836.1692 836.1692@5.841118 + 746.0743@5.825897 5.825897 (747.08234, 1693.04)(748.0833, 1062.55) 4 746.0743 746.0743@5.825897 + 941.5936@5.8312316 5.8312316 (942.6019, 1806.832)(943.60486, 1290.885) 10 941.5936 941.5936@5.8312316 + 1593.1774@5.834997 5.834997 (1594.1838, 1495.484)(1595.1785, 1071.156)(1596.1831, 918.306) 5 1593.1774 1593.1774@5.834997 + 807.068@5.840945 5.840945 (808.0754, 1902.8267) 3 807.068 807.068@5.840945 + 819.5816@5.8185067 5.8185067 (820.58905, 1999.0651)(821.5721, 3613.1)(822.5929, 4910.69)(823.5972, 2095.14)(837.6132, 1950.09)(842.5732, 4338.017)(843.5752, 3314.6401)(844.5889, 1400.24) 6 819.5816 819.5816@5.8185067 + 683.3389@5.8413334 5.8413334 (684.3468, 2750.0874)(685.3518, 1135.2778) 15 683.3389 683.3389@5.8413334 + 489.7676@5.8429585 5.8429585 (980.5418, 1533.825)(981.55164, 930.89)(982.54395, 1175.2)(1002.5351, 805.05)(490.77924, 1407.6825)(491.7851, 617.6) 4 489.7676 489.7676@5.8429585 + 1011.5367@5.8839664 5.8839664 (1012.544, 9404.38)(1013.548, 5179.9)(1014.5559, 2575.59)(1015.5608, 738.45) 1 1011.5367 1011.5367@5.8839664 + 933.8498@5.8453074 5.8453074 (934.85645, 1353.5759) 5 933.8498 933.8498@5.8453074 + 861.5507@5.842439 5.842439 (862.5571, 2876.0942)(863.5615, 3006.7576)(864.5672, 3597.29)(865.5712, 1414.39)(866.5691, 443.435)(884.5434, 1508.93)(885.5519, 1026.66)(886.5487, 458.64) 5 861.5507 861.5507@5.842439 + 1347.7341@5.8472295 5.8472295 (1348.7426, 1602.9828)(1349.7441, 686.7) 7 1347.7341 1347.7341@5.8472295 + 795.5719@5.9270525 5.9270525 (796.5794, 11176.645)(797.5824, 2718.95) 2 795.5719 795.5719@5.9270525 + 468.7504@5.843349 5.843349 (938.5074, 994.95)(939.5358, 591.59)(940.5208, 2022.57)(941.5231, 1567.79)(942.5356, 2238.69)(469.7578, 3669.1218) 5 468.7504 468.7504@5.843349 + 903.591@5.8988805 5.8988805 (904.5983, 3742.2698)(905.6024, 2343.5952)(906.6054, 1005.8) 3 903.591 903.591@5.8988805 + 456.7516@5.857265 5.857265 (914.5161, 1029.14)(457.75836, 1967.4526)(458.76505, 714.765) 4 456.7516 456.7516@5.857265 + 469.253@5.8532004 5.8532004 (470.25952, 2021.9667) 3 469.253 469.253@5.8532004 + 869.5359@5.926796 5.926796 (870.5447, 3313.5298)(871.5457, 1808.3301)(872.5492, 4892.34)(873.55164, 1333.99)(874.56647, 6342.415)(852.5349, 5185.86)(853.5387, 2455.02)(854.5494, 4852.04)(855.5681, 1694.1)(856.5635, 3971.59) 2 869.5359 869.5359@5.926796 + 1354.7433@5.864419 5.864419 (1355.7512, 1797.1799) 2 1354.7433 1354.7433@5.864419 + 1188.8698@5.8687963 5.8687963 (1189.875, 1135.74) 2 1188.8698 1188.8698@5.8687963 + 699.445@5.929055 5.929055 (700.4511, 10266.24)(701.45374, 4167.344)(702.447, 3217.1802)(703.45154, 1831.135)(722.4415, 768.04) 7 699.445 699.445@5.929055 + 883.5473@5.8619256 5.8619256 (884.55035, 1075.1)(885.55304, 768.6067)(866.5428, 1792.6) 3 883.5473 883.5473@5.8619256 + 895.5369@5.9324093 5.9324093 (896.5465, 3295.76)(897.5488, 2255.94)(898.5613, 2041.45) 2 895.5369 895.5369@5.9324093 + 424.7478@5.907882 5.907882 (425.7551, 1307.04) 1 424.7478 424.7478@5.907882 + 400.9585@5.956709 5.956709 (401.9658, 1824.17) 1 400.9585 400.9585@5.956709 + 476.9006@5.9596987 5.9596987 (477.9079, 1249.06) 1 476.9006 476.9006@5.9596987 + 855.4786@5.960695 5.960695 (856.4859, 1589.0)(857.4925, 756.76) 1 855.4786 855.4786@5.960695 + 827.5654@5.9536543 5.9536543 (828.5673, 5292.57)(829.5649, 2002.8214)(830.5582, 1370.8558)(831.5553, 260.75) 7 827.5654 827.5654@5.9536543 + 811.5341@5.95961 5.95961 (812.54956, 3540.4673)(813.555, 1795.1699)(814.55396, 1449.119)(815.5578, 729.73004)(816.5702, 2017.4) 10 811.5341 811.5341@5.95961 + 529.8413@5.9955707 5.9955707 (530.8486, 1451.21) 1 529.8413 529.8413@5.9955707 + 808.0769@6.1051803 6.1051803 (809.0841, 1779.9)(810.09, 1500.18) 1 808.0769 808.0769@6.1051803 + 447.0074@6.126463 6.126463 (448.01483, 2036.2661)(430.0066, 1484.1) 8 447.0074 447.0074@6.126463 + 261.0764@6.1655846 6.1655846 (262.08356, 6748.4927)(263.08432, 1799.7367) 4 261.0764 261.0764@6.1655846 + 963.6692@6.1775875 6.1775875 (964.6766, 1964.9933)(965.67346, 792.155) 3 963.6692 963.6692@6.1775875 + 779.544@6.177749 6.177749 (780.551, 7750.911)(781.55426, 3936.1426) 8 779.544 779.544@6.177749 + 650.4348@6.175043 6.175043 (651.4421, 23924.834)(652.4449, 6778.5547)(653.4464, 2184.845) 6 650.4348 650.4348@6.175043 + 567.1027@6.2048225 6.2048225 (568.11, 6376.64)(569.1129, 1774.31) 1 567.1027 567.1027@6.2048225 + 411.2021@6.2048225 6.2048225 (412.2103, 1106.43)(434.1905, 1403.52) 1 411.2021 411.2021@6.2048225 + 950.5769@6.1857405 6.1857405 (951.5854, 2039.6146)(952.5822, 1800.5737)(953.5979, 5524.4604)(954.5998, 3084.46)(955.6011, 1122.79) 9 950.5769 950.5769@6.1857405 + 1006.6406@6.1862493 6.1862493 (1007.644, 1367.59)(1008.64374, 965.68)(1029.6348, 841.27) 3 1006.6406 1006.6406@6.1862493 + 432.0351@6.1948485 6.1948485 (433.04257, 3874.4465)(434.04462, 1137.9299) 3 432.0351 432.0351@6.1948485 + 464.9643@6.196177 6.196177 (465.97183, 1521.0333) 3 464.9643 464.9643@6.196177 + 361.9188@6.230729 6.230729 (362.9261, 2736.65) 1 361.9188 361.9188@6.230729 + 136.0611@6.2174134 6.2174134 (137.06844, 9831.353)(138.06621, 1314.3167) 3 136.0611 136.0611@6.2174134 + 855.5597@6.3145103 6.3145103 (856.5688, 4931.474)(857.57324, 2842.752)(858.5833, 1671.8776)(878.548, 2506.81)(879.552, 1157.91)(880.5603, 1750.62)(881.5638, 926.56)(882.5803, 1300.68) 7 855.5597 855.5597@6.3145103 + 143.0668@6.2377043 6.2377043 (144.0735, 1847.06)(161.0995, 1083.79)(166.0583, 1617.22) 1 143.0668 143.0668@6.2377043 + 444.9562@6.2406936 6.2406936 (445.9635, 842.52) 1 444.9562 444.9562@6.2406936 + 358.1371@6.2426863 6.2426863 (359.1443, 1781.36)(360.1518, 895.99) 1 358.1371 358.1371@6.2426863 + 246.0505@6.227527 6.227527 (247.05774, 6006.54)(248.0615, 1252.68)(269.0399, 5112.23) 2 246.0505 246.0505@6.227527 + 344.8895@6.2100024 6.2100024 (345.89725, 1703.1172)(346.893, 804.2225)(362.92563, 3031.1602) 11 344.8895 344.8895@6.2100024 + 621.4322@6.293154 6.293154 (622.4387, 2182.38)(623.45044, 877.33) 2 621.4322 621.4322@6.293154 + 802.6022@6.3173037 6.3173037 (803.6112, 1081.64)(804.611, 697.94) 2 802.6022 802.6022@6.3173037 + 393.1992@6.3153224 6.3153224 (394.2067, 1584.79)(395.20834, 705.9467) 6 393.1992 393.1992@6.3153224 + 782.5631@6.3172803 6.3172803 (783.5701, 5840.6636)(784.5797, 2511.2803)(785.5858, 1182.081) 11 782.5631 782.5631@6.3172803 + 489.3094@6.3676095 6.3676095 (490.31763, 2004.27)(491.3095, 921.05005) 3 489.3094 489.3094@6.3676095 + 547.327@6.4444404 6.4444404 (548.33435, 3674.4797)(549.3382, 1167.8566) 3 547.327 547.327@6.4444404 + 831.5448@6.518766 6.518766 (832.5606, 2242.2349)(833.5659, 926.21497) 2 831.5448 831.5448@6.518766 + 595.3645@6.547427 6.547427 (596.37225, 3606.56)(597.374, 1336.658)(598.38477, 2041.874)(599.388, 1016.33496) 5 595.3645 595.3645@6.547427 + 526.3097@6.5676365 6.5676365 (527.31714, 1095.605) 2 526.3097 526.3097@6.5676365 + 577.4094@6.553935 6.553935 (578.4169, 2079.928)(579.4244, 1102.2483)(580.43054, 3049.695)(581.432, 515.485)(600.3986, 771.97) 10 577.4094 577.4094@6.553935 + 798.3415@6.606365 6.606365 (799.3488, 1663.46)(800.353, 760.48) 1 798.3415 798.3415@6.606365 + 674.2923@6.6716576 6.6716576 (675.29944, 1790.7441)(676.3013, 1003.8125) 5 674.2923 674.2923@6.6716576 + 730.2422@6.6497293 6.6497293 (731.251, 1418.065)(732.25, 1033.2) 2 730.2422 730.2422@6.6497293 + 872.9831@6.608679 6.608679 (873.98956, 2637.79)(874.99304, 2028.565) 2 872.9831 872.9831@6.608679 + 696.314@6.6103506 6.6103506 (697.3213, 1153.03)(698.3229, 766.56) 1 696.314 696.314@6.6103506 + 871.3966@6.6113467 6.6113467 (872.4038, 1650.02)(873.4065, 822.6) 1 871.3966 871.3966@6.6113467 + 593.3377@6.606573 6.606573 (594.3428, 4485.815)(595.3512, 2191.52) 2 593.3377 593.3377@6.606573 + 577.3205@6.624299 6.624299 (578.3278, 2603.76)(579.3329, 1654.14) 1 577.3205 577.3205@6.624299 + 722.3259@6.624299 6.624299 (723.3332, 1012.45)(724.3361, 510.25) 1 722.3259 722.3259@6.624299 + 627.408@6.6377945 6.6377945 (628.4202, 4884.8853)(629.42645, 2020.5566) 4 627.408 627.408@6.6377945 + 849.4831@6.624299 6.624299 (850.4904, 5573.0)(851.4959, 2388.39)(852.5069, 1433.22) 1 849.4831 849.4831@6.624299 + 587.3019@6.6253486 6.6253486 (588.30914, 2175.5833)(589.3109, 917.9766) 3 587.3019 587.3019@6.6253486 + 847.3948@6.6285095 6.6285095 (848.40283, 1722.125)(849.4059, 1073.88) 2 847.3948 847.3948@6.6285095 + 764.3105@6.630277 6.630277 (765.3178, 1040.0) 1 764.3105 764.3105@6.630277 + 589.3706@6.626869 6.626869 (590.3765, 17863.45)(591.38116, 6268.6465)(612.3641, 4494.63)(613.3683, 1695.43) 6 589.3706 589.3706@6.626869 + 836.9824@6.7139153 6.7139153 (837.9918, 6535.277)(838.99615, 4635.841)(840.0055, 3657.042)(855.0156, 673.65) 14 836.9824 836.9824@6.7139153 + 774.3411@6.63227 6.63227 (775.3484, 1830.1)(776.3541, 951.54) 1 774.3411 774.3411@6.63227 + 1115.6931@6.634263 6.634263 (1116.7003, 1853.95)(1117.7102, 1108.85) 1 1115.6931 1115.6931@6.634263 + 837.4823@6.6685333 6.6685333 (838.49036, 4534.058)(839.49207, 2734.55)(840.50574, 3056.9302)(841.5136, 1682.655) 5 837.4823 837.4823@6.6685333 + 525.3201@6.63154 6.63154 (526.3286, 2878.392)(527.3317, 1189.905)(528.3408, 985.69495) 5 525.3201 525.3201@6.63154 + 665.2388@6.6305184 6.6305184 (666.2463, 2732.5203)(667.25165, 1398.8799)(668.26086, 1067.715) 3 665.2388 665.2388@6.6305184 + 706.2391@6.6324863 6.6324863 (707.2482, 1468.4033)(708.251, 947.69)(709.265, 1325.61) 3 706.2391 706.2391@6.6324863 + 585.3161@6.6412373 6.6412373 (586.3234, 2187.23)(587.3412, 773.48) 1 585.3161 585.3161@6.6412373 + 726.3553@6.642234 6.642234 (727.3626, 776.44)(728.3761, 604.18) 1 726.3553 726.3553@6.642234 + 827.4986@6.670538 6.670538 (828.50903, 3265.5999)(829.5165, 2422.175)(830.5212, 1584.72) 3 827.4986 827.4986@6.670538 + 817.6298@6.644226 6.644226 (818.6371, 1279.21)(819.6409, 512.13) 1 817.6298 817.6298@6.644226 + 561.8395@6.696751 6.696751 (1124.6876, 2399.96)(1125.6906, 2203.54)(1141.7152, 3097.74)(1142.719, 1877.68)(1143.7225, 932.18)(562.8444, 1081.4867)(563.8478, 1084.01) 3 561.8395 561.8395@6.696751 + 887.5336@6.648212 6.648212 (888.5409, 1089.01)(889.5438, 845.31) 1 887.5336 887.5336@6.648212 + 825.9857@6.7004547 6.7004547 (1652.9915, 846.4)(826.99524, 8118.366)(844.0289, 1408.71)(845.0152, 802.13) 5 825.9857 825.9857@6.7004547 + 826.4896@6.696365 6.696365 (827.49677, 3739.1426) 4 826.4896 826.4896@6.696365 + 1106.6467@6.688991 6.688991 (1107.6506, 2824.7634)(1108.662, 2176.9866)(1109.6534, 90764.55) 3 1106.6467 1106.6467@6.688991 + 652.3395@6.6561213 6.6561213 (653.3488, 1674.815)(654.3399, 995.26)(655.3385, 1065.11) 2 652.3395 652.3395@6.6561213 + 689.5545@6.6580095 6.6580095 (690.56195, 3042.4248)(691.5628, 1100.1)(692.5611, 653.04) 2 689.5545 689.5545@6.6580095 + 618.3981@6.661573 6.661573 (619.4042, 1700.5801) 2 618.3981 618.3981@6.661573 + 615.4288@6.6622944 6.6622944 (616.4372, 1421.7134)(617.43365, 845.09) 3 615.4288 615.4288@6.6622944 + 806.019@6.660761 6.660761 (807.0263, 6527.627)(808.0279, 6028.4)(809.0349, 2867.005) 3 806.019 806.019@6.660761 + 619.298@6.6655617 6.6655617 (620.3021, 700.72)(602.2937, 3639.115)(603.2993, 1252.485)(604.3092, 2733.62) 2 619.298 619.298@6.6655617 + 587.3906@6.6764894 6.6764894 (588.398, 2683.5513)(589.40027, 1116.3715) 8 587.3906 587.3906@6.6764894 + 750.565@6.6555257 6.6555257 (751.5729, 1619.7428)(752.57544, 883.73206) 7 750.565 750.565@6.6555257 + 150.1368@6.675806 6.675806 (151.14394, 136386.62)(152.14722, 11182.17)(153.14616, 1430.8971) 9 150.1368 150.1368@6.675806 + 845.6603@6.693311 6.693311 (846.66693, 1255.0)(847.67224, 842.10254) 4 845.6603 845.6603@6.693311 + 576.397@6.6808777 6.6808777 (577.40405, 3032.4) 2 576.397 576.397@6.6808777 + 803.4977@6.7499332 6.7499332 (804.5042, 14284.353)(805.5122, 13744.667) 3 803.4977 803.4977@6.7499332 + 802.9955@6.7338705 6.7338705 (804.0023, 16790.24)(805.00977, 16680.484)(821.0356, 1208.1) 2 802.9955 802.9955@6.7338705 + 573.3764@6.689733 6.689733 (574.38367, 69962.96)(575.3872, 21554.115)(576.396, 8982.809)(577.3992, 1975.7716) 12 573.3764 573.3764@6.689733 + 541.3148@6.6966963 6.6966963 (542.322, 642892.1)(543.32526, 185334.17) 4 541.3148 541.3148@6.6966963 + 621.3917@6.7030106 6.7030106 (622.399, 1729.7)(623.3971, 1632.26) 1 621.3917 621.3917@6.7030106 + 872.9816@6.702206 6.702206 (873.99066, 2986.8577)(874.9957, 2259.9011)(876.00385, 1237.845) 8 872.9816 872.9816@6.702206 + 1119.7263@6.740061 6.740061 (1120.7214, 3353.125)(1121.7422, 1673.42)(1122.7448, 1042.11) 2 1119.7263 1119.7263@6.740061 + 849.4833@6.705445 6.705445 (850.4913, 10507.782)(851.49835, 4011.136)(852.5121, 2467.4062)(853.51587, 1195.405) 11 849.4833 849.4833@6.705445 + 1110.1561@6.708807 6.708807 (1111.1621, 4299.1797)(1112.1749, 3037.44)(1113.1777, 2088.45) 2 1110.1561 1110.1561@6.708807 + 871.4973@6.709193 6.709193 (872.5041, 1935.3633)(873.51373, 1545.0071)(874.50885, 1785.2499)(875.5061, 981.595)(876.52905, 1037.435)(854.4968, 842.75)(894.4909, 649.74) 9 871.4973 871.4973@6.709193 + 1368.8136@6.720133 6.720133 (1369.8258, 2091.0251)(1370.8365, 1499.555)(1371.843, 1355.9401) 6 1368.8136 1368.8136@6.720133 + 882.9798@6.708981 6.708981 (883.9827, 1751.3002)(884.99634, 1488.3168) 3 882.9798 882.9798@6.708981 + 1627.9762@6.710978 6.710978 (1628.9847, 1840.38)(1629.9863, 1816.3082)(1630.9941, 1390.1317)(1632.0012, 349.84) 6 1627.9762 1627.9762@6.710978 + 1138.1367@6.711978 6.711978 (1139.144, 1069.0)(1140.1442, 1380.07)(1141.1545, 1049.59) 1 1138.1367 1138.1367@6.711978 + 858.9783@6.7114387 6.7114387 (859.9864, 2014.875)(860.9973, 1659.9126)(861.9975, 1862.5773)(862.9983, 1939.55)(863.9999, 792.68) 12 858.9783 858.9783@6.7114387 + 1061.151@6.715218 6.715218 (1062.1565, 6541.246)(1063.1625, 3595.6768)(1064.1715, 5415.745)(1065.1775, 4180.75) 17 1061.151 1061.151@6.715218 + 1076.6202@6.710428 6.710428 (1077.6263, 2102.72)(1078.6295, 1616.15)(1079.635, 1441.07) 3 1076.6202 1076.6202@6.710428 + 1090.1256@6.712974 6.712974 (1091.1323, 1293.29)(1108.1595, 2537.14)(1109.1698, 1864.81)(1110.1554, 12738.45) 1 1090.1256 1090.1256@6.712974 + 1134.154@6.7098494 6.7098494 (1135.1609, 1795.95)(1136.1697, 1463.67) 2 1134.154 1134.154@6.7098494 + 1579.976@6.767415 6.767415 (1580.9838, 6796.5293)(1581.9868, 6340.834)(1582.994, 5432.0996)(1584.0015, 4762.6367) 9 1579.976 1579.976@6.767415 + 1368.313@6.7168455 6.7168455 (1369.321, 2201.385)(1370.3263, 2750.1401)(1371.3401, 1736.335) 2 1368.313 1368.313@6.7168455 + 1320.3132@6.7134695 6.7134695 (1321.3195, 3252.75)(1322.3218, 3630.8452)(1323.3314, 2723.58) 2 1320.3132 1320.3132@6.7134695 + 1345.3143@6.715963 6.715963 (1346.3217, 5817.96)(1347.335, 4313.22) 1 1345.3143 1345.3143@6.715963 + 837.4839@6.729783 6.729783 (838.49274, 6458.978)(839.4993, 2907.481)(840.5086, 3122.3625) 15 837.4839 837.4839@6.729783 + 1046.6548@6.758992 6.758992 (1047.6588, 8014.122)(1048.6606, 4931.5)(1049.6558, 10738.657)(1050.6583, 8797.96)(1051.6685, 14184.423)(1069.6453, 5302.92)(1070.6475, 3215.2148)(1071.6593, 8479.02)(1072.6617, 5309.41)(1073.6753, 3916.93) 8 1046.6548 1046.6548@6.758992 + 1603.9784@6.7211113 6.7211113 (1604.9854, 1419.1732)(1605.986, 1610.1866)(1606.9933, 1335.5834)(1608.0082, 903.92) 3 1603.9784 1603.9784@6.7211113 + 1094.1636@6.7372828 6.7372828 (1095.1747, 1428.2345)(1096.17, 1360.24)(1097.1798, 1448.5)(1112.1974, 1590.15)(1113.2076, 741.56)(1114.1733, 642.9)(1117.1588, 1172.84)(1118.1669, 1516.72)(1119.1786, 1546.22) 9 1094.1636 1094.1636@6.7372828 + 1014.6637@6.7315845 6.7315845 (1015.6696, 41377.17)(1016.6732, 3045.5)(1032.7032, 4140.72)(1033.7158, 4465.16)(1034.72, 1887.23)(1037.6534, 11250.775)(1038.6567, 9321.01) 4 1014.6637 1014.6637@6.7315845 + 1555.9753@6.721941 6.721941 (1556.9827, 1331.94)(1557.9893, 1658.96)(1558.9943, 1147.99) 1 1555.9753 1555.9753@6.721941 + 1356.3147@6.720516 6.720516 (1357.3235, 1889.06)(1358.3274, 2278.7852)(1359.339, 1793.37) 2 1356.3147 1356.3147@6.720516 + 838.4889@6.722937 6.722937 (839.4962, 4139.87)(840.5057, 3881.22)(841.51, 3327.61) 1 838.4889 838.4889@6.722937 + 1121.672@6.740604 6.740604 (1122.6714, 2352.0266)(1123.6804, 2530.5898)(1124.6847, 1689.4961)(1144.6472, 974.28)(1145.6246, 696.92)(1146.6556, 754.46) 6 1121.672 1121.672@6.740604 + 1094.7178@6.718997 6.718997 (1095.7258, 5271.8135)(1096.7258, 2831.7622)(1097.7423, 3630.4258)(1098.7438, 2242.8174)(1099.7537, 872.015) 5 1094.7178 1094.7178@6.718997 + 1098.1554@6.7249303 6.7249303 (1099.1627, 5953.74)(1100.1729, 6110.55)(1101.1782, 4995.02) 1 1098.1554 1098.1554@6.7249303 + 1073.1493@6.717172 6.717172 (1074.157, 6719.2617)(1075.1642, 3598.0789)(1076.1722, 8312.877)(1077.1826, 5108.154)(1078.187, 7464.7266) 20 1073.1493 1073.1493@6.717172 + 1332.8134@6.7216263 6.7216263 (1333.8229, 2424.39)(1334.8271, 1428.1133)(1335.838, 1971.3301)(1336.8452, 1583.19)(1337.8525, 2747.5) 3 1332.8134 1332.8134@6.7216263 + 1099.67@6.7401223 6.7401223 (1100.6796, 3959.9558)(1101.6858, 3603.5059)(1102.6938, 3428.284)(1117.7087, 2954.3198)(1118.704, 1865.62)(1119.6803, 1550.02)(1122.6626, 2143.15)(1123.6663, 1590.6)(1124.6761, 1121.92) 12 1099.67 1099.67@6.7401223 + 589.3714@6.729 6.729 (590.37866, 20559.416)(591.38135, 7208.6724)(612.3637, 2365.02) 4 589.3714 589.3714@6.729 + 816.002@6.729912 6.729912 (1633.016, 2344.85)(1634.0208, 2322.68)(1635.0273, 1801.21)(817.0089, 8380.12) 1 816.002 816.002@6.729912 + 1101.1862@6.7510924 6.7510924 (1102.1923, 2924.9065)(1103.1992, 3059.17)(1104.2094, 2703.9766)(1105.1982, 1072.37) 6 1101.1862 1101.1862@6.7510924 + 1111.1641@6.729912 6.729912 (1112.1714, 3919.89)(1113.1833, 2412.24)(1114.1906, 2476.11)(1115.1726, 1881.74)(1116.1562, 1318.85) 1 1111.1641 1111.1641@6.729912 + 1091.6957@6.6972885 6.6972885 (1092.7021, 11902.782)(1093.7113, 10090.288)(1094.7152, 6238.8823) 5 1091.6957 1091.6957@6.6972885 + 1322.3246@6.7319045 6.7319045 (1323.3318, 2799.39)(1324.3408, 3583.71)(1325.3503, 3115.72) 1 1322.3246 1322.3246@6.7319045 + 1322.8353@6.7284074 6.7284074 (1323.838, 3119.1523)(1324.8474, 2190.3225)(1325.8531, 3556.0999)(1326.8597, 2263.44)(1345.8229, 2029.9949)(1346.8416, 1331.22)(1347.8417, 1779.88) 4 1322.8353 1322.8353@6.7284074 + 1015.6677@6.7290144 6.7290144 (1016.67456, 38031.26)(1017.6846, 30471.906)(1018.69, 12304.7) 4 1015.6677 1015.6677@6.7290144 + 1052.6765@6.7072554 6.7072554 (1053.6831, 4375.775)(1054.686, 1298.19)(1055.7003, 2119.99)(1056.7004, 999.38) 2 1052.6765 1052.6765@6.7072554 + 1346.8304@6.730687 6.730687 (1347.8381, 2566.896)(1348.8445, 2147.198)(1349.8555, 2412.5098)(1350.8622, 2654.75)(1364.8654, 1097.23)(1369.8325, 797.52)(1370.844, 849.51)(1371.8439, 840.14)(1372.8539, 1424.42)(1373.8545, 1105.67) 5 1346.8304 1346.8304@6.730687 + 1359.3334@6.7391634 6.7391634 (1360.353, 1875.552)(1361.3529, 2201.5125)(1362.3573, 2390.5925)(1363.3633, 1639.16)(1364.3762, 1260.87) 5 1359.3334 1359.3334@6.7391634 + 1087.1644@6.751818 6.751818 (1088.1694, 5456.815)(1089.1765, 3623.57)(1090.1794, 7213.52)(1091.1885, 4117.5137)(1092.2, 3939.23)(1093.2026, 1571.59) 4 1087.1644 1087.1644@6.751818 + 1359.8444@6.737458 6.737458 (1360.853, 1992.2626)(1361.8528, 2584.7925)(1362.8595, 2190.3625)(1363.867, 1705.2)(1364.8746, 808.305)(1382.852, 938.79)(1383.8376, 851.76) 4 1359.8444 1359.8444@6.737458 + 1325.3501@6.7396364 6.7396364 (1326.3562, 3141.31)(1327.3645, 5724.6)(1348.3439, 2855.5967)(1349.3517, 2853.2168)(1350.3575, 3024.7031) 5 1325.3501 1325.3501@6.7396364 + 1314.3575@6.744915 6.744915 (1315.3635, 2845.77)(1316.3708, 3599.36)(1337.3475, 5128.03)(1338.3561, 5143.08) 2 1314.3575 1314.3575@6.744915 + 547.3619@6.7048903 6.7048903 (1117.7109, 1185.55)(548.36786, 112673.9)(549.373, 30677.824) 10 547.3619 547.3619@6.7048903 + 1562.0193@6.7468495 6.7468495 (1563.0266, 1345.46)(1564.0349, 1556.75)(1565.043, 3913.29)(1566.0498, 3101.6)(1567.0557, 1635.88) 1 1562.0193 1562.0193@6.7468495 + 1614.0471@6.7488422 6.7488422 (1615.0544, 4666.09)(1616.061, 2487.28) 1 1614.0471 1614.0471@6.7488422 + 1362.8595@6.7488422 6.7488422 (1363.8667, 2647.66)(1364.8748, 2024.48)(1365.883, 1994.94) 1 1362.8595 1362.8595@6.7488422 + 545.3457@6.700226 6.700226 (546.35315, 1541919.2)(547.35754, 423223.28)(548.3669, 117667.15)(549.3723, 29939.28) 2 545.3457 545.3457@6.700226 + 1316.3743@6.7477326 6.7477326 (1317.3796, 6553.708)(1318.3843, 4916.5684)(1319.3833, 1621.37)(1339.3663, 5541.648)(1340.3723, 6770.3643)(1341.379, 8516.414)(1342.385, 7518.2397)(1343.3901, 2903.7576)(1344.3849, 896.65) 9 1316.3743 1316.3743@6.7477326 + 1337.8516@6.75343 6.75343 (1338.8624, 4964.7666)(1339.8667, 6076.9565)(1340.8749, 8399.753)(1341.8815, 9421.76)(1342.8875, 5232.645)(1343.8909, 2545.08) 3 1337.8516 1337.8516@6.75343 + 1601.548@6.7549644 6.7549644 (1602.5566, 2666.6)(1603.5618, 3262.995)(1604.5674, 2028.145) 2 1601.548 1601.548@6.7549644 + 1600.0374@6.760798 6.760798 (1601.0446, 2025.69)(1602.054, 2411.99) 1 1600.0374 1600.0374@6.760798 + Enalkiren 6.755967 C07466 Enalkiren [ C35 H56 N6 O6, db=43.02, overall=43.02, CAS ID=113082-98-7, KEGG ID=C07466, METLIN ID=66653 ] 113082-98-7 (1330.8898, 13351.841)(1331.8975, 13087.847)(1332.9021, 4395.8276)(1333.8907, 714.3) 14 1329.8821 Enalkiren + 1076.6763@6.775628 6.775628 (1077.688, 5874.7573)(1078.6938, 2775.93)(1079.6996, 11144.77)(1080.7043, 7765.14)(1081.7142, 8336.28)(1082.716, 3998.56)(1083.7294, 6484.0) 8 1076.6763 1076.6763@6.775628 + 1326.8601@6.7638593 6.7638593 (1327.8661, 6270.3984)(1328.8745, 8206.507)(1329.8826, 10767.877)(1330.8898, 8262.28)(1331.8976, 6538.3794)(1332.9026, 2864.555)(1349.8547, 1727.03)(1350.862, 1611.71)(1351.8685, 3053.94)(1352.8743, 2432.33)(1353.8806, 1566.81) 11 1326.8601 1326.8601@6.7638593 + 815.4993@6.752352 6.752352 (816.504, 3857.5598)(817.49854, 2744.525) 13 815.4993 815.4993@6.752352 + C31 H43 N12 O 6.7841315 [ C31 H43 N12 O, mfg=74.49, overall=74.49 ] (600.3757, 7390.6196)(601.3775, 3063.5808) 12 599.3684 C31 H43 N12 O + 1325.3463@6.776435 6.776435 (1326.3494, 4846.002)(1327.3612, 5936.1655)(1328.3716, 7562.4595) 5 1325.3463 1325.3463@6.776435 + 1095.1554@6.783714 6.783714 (1096.1627, 1939.37)(1097.171, 1936.73)(1098.1752, 2046.69) 1 1095.1554 1095.1554@6.783714 + 1094.6523@6.7847104 6.7847104 (1095.6597, 2245.05)(1096.6661, 2023.78)(1097.6737, 2971.69) 1 1094.6523 1094.6523@6.7847104 + 551.3223@6.784519 6.784519 (552.32996, 7637.825)(553.3334, 2836.855)(554.3384, 1917.99) 2 551.3223 551.3223@6.784519 + 1316.3237@6.793677 6.793677 (1317.3309, 2624.75)(1318.3376, 2422.42)(1319.3435, 1910.55) 1 1316.3237 1316.3237@6.793677 + 1320.3123@6.7939777 6.7939777 (1321.322, 4487.96)(1322.3259, 6303.3477)(1323.3312, 5701.2305)(1324.339, 6091.84)(1325.3475, 5149.81) 4 1320.3123 1320.3123@6.7939777 + 1560.0028@6.7976627 6.7976627 (1561.0101, 3751.54)(1562.0161, 2639.87)(1563.0262, 2084.15) 1 1560.0028 1560.0028@6.7976627 + 576.3605@6.8245606 6.8245606 (577.36694, 6158.415) 10 576.3605 576.3605@6.8245606 + 492.4939@6.8278213 6.8278213 (493.50134, 10355.146) 3 492.4939 492.4939@6.8278213 + 1520.4792@6.8271885 6.8271885 (1521.4861, 8993.816)(1522.4902, 5171.0806)(1523.4952, 1696.485) 9 1520.4792 1520.4792@6.8271885 + 497.2264@6.8295846 6.8295846 (498.22787, 3163.258) 6 497.2264 497.2264@6.8295846 + 1059.6411@6.8424973 6.8424973 (1060.6484, 2515.63) 1 1059.6411 1059.6411@6.8424973 + 1019.1329@6.845486 6.845486 (1020.1397, 2615.37)(1021.1394, 1628.84)(1022.1428, 2573.24)(1042.1246, 1359.18) 1 1019.1329 1019.1329@6.845486 + 1042.628@6.84238 6.84238 (1043.6411, 3254.86)(1044.6416, 1602.115) 3 1042.628 1042.628@6.84238 + 597.2577@6.8544526 6.8544526 (598.265, 1741.54) 1 597.2577 597.2577@6.8544526 + 776.4742@6.8479733 6.8479733 (777.48145, 3581.7102) 3 776.4742 776.4742@6.8479733 + 551.3697@6.855616 6.855616 (552.3759, 23428.633)(553.3791, 7348.48) 12 551.3697 551.3697@6.855616 + C29 H45 N10 6.861386 [ C29 H45 N10, mfg=63.06, overall=63.06 ] (534.3885, 3672.1619)(535.3964, 1616.9309) 12 533.3809 C29 H45 N10 + 589.3039@6.873383 6.873383 (590.3152, 1295.18)(572.2986, 1862.72)(573.3038, 834.07) 1 589.3039 589.3039@6.873383 + 626.301@6.9420457 6.9420457 (627.30414, 1869.5067)(628.3106, 1189.96) 3 626.301 626.301@6.9420457 + 117.0787@6.885963 6.885963 (118.086, 59960.016)(119.0895, 4273.69)(120.1006, 1142.32)(100.0759, 7529.78)(140.0693, 2636.46) 3 117.0787 117.0787@6.885963 + 479.3374@6.915149 6.915149 (480.34445, 5804.9766)(481.34772, 1736.7222)(502.32614, 4743.9224)(503.32758, 2143.525) 14 479.3374 479.3374@6.915149 + 230.1742@6.959273 6.959273 (231.1815, 1831.0925) 4 230.1742 230.1742@6.959273 + 256.1401@6.9690294 6.9690294 (257.1474, 397708.22)(258.1503, 46651.46)(259.1529, 5694.41) 1 256.1401 256.1401@6.9690294 + 132.0535@7.1131573 7.1131573 (133.06073, 5877.623)(134.0655, 721.89)(115.0499, 810.84)(155.04431, 1076.0349) 9 132.0535 132.0535@7.1131573 + 779.5443@7.1448274 7.1448274 (780.5518, 1954.265)(781.55334, 1054.6725)(782.5664, 1684.0375)(783.5699, 737.89496)(784.5822, 2520.92) 4 779.5443 779.5443@7.1448274 + 496.1249@7.134416 7.134416 (497.1321, 1875.04)(498.1285, 730.34) 1 496.1249 496.1249@7.134416 + 807.575@7.1450787 7.1450787 (808.58136, 2193.39)(809.58453, 1291.8833) 3 807.575 807.575@7.1450787 + 134.069@7.1393976 7.1393976 (135.0733, 796.84)(117.0658, 10258.8) 1 134.069 134.069@7.1393976 + 546.3466@7.2107506 7.2107506 (547.35657, 2501.75)(548.3572, 1576.11) 2 546.3466 546.3466@7.2107506 + 415.2054@7.1688757 7.1688757 (416.21274, 1813.4241)(417.2243, 762.98) 5 415.2054 415.2054@7.1688757 + 433.9415@7.162312 7.162312 (434.9488, 2062.48) 1 433.9415 433.9415@7.162312 + 551.2855@7.1817536 7.1817536 (552.29285, 3741.15)(553.2969, 1119.295)(574.27356, 3260.5898)(575.2771, 1435.91) 5 551.2855 551.2855@7.1817536 + 159.0297@7.2087426 7.2087426 (160.03691, 2368.5935) 3 159.0297 159.0297@7.2087426 + 429.7609@7.2420535 7.2420535 (430.76736, 2266.955)(431.7716, 686.63) 12 429.7609 429.7609@7.2420535 + 551.2845@7.2557 7.2557 (552.29266, 3884.3489)(553.2962, 1397.6613)(574.2749, 2315.24)(575.2767, 855.05) 9 551.2845 551.2845@7.2557 + 444.1876@7.288825 7.288825 (445.19467, 1749.2961)(446.1976, 976.14)(467.1765, 1127.21) 5 444.1876 444.1876@7.288825 + 320.0535@7.2950616 7.2950616 (321.06155, 1205.41)(343.04233, 1626.4135) 3 320.0535 320.0535@7.2950616 + 575.3201@7.203669 7.203669 (576.3275, 6343.605)(577.3351, 2796.2441)(578.3428, 2928.5566)(598.3113, 2801.825)(599.3153, 1048.5375) 7 575.3201 575.3201@7.203669 + 591.3159@7.3389893 7.3389893 (592.32306, 5063.444)(593.32745, 1732.7567)(594.3362, 522.58997)(574.3113, 12779.515)(575.31494, 4168.735)(576.32587, 2740.02) 5 591.3159 591.3159@7.3389893 + 433.1853@7.627177 7.627177 (434.19217, 22818.668)(435.19574, 6020.085)(436.19916, 2719.6973)(437.2048, 347.63) 14 433.1853 433.1853@7.627177 + 616.1725@7.6524835 7.6524835 (617.1798, 1105.62) 1 616.1725 616.1725@7.6524835 + 752.4644@7.711866 7.711866 (753.4724, 1584.492)(754.4743, 853.25665) 10 752.4644 752.4644@7.711866 + 369.2356@7.7248545 7.7248545 (370.24304, 1764.475) 2 369.2356 369.2356@7.7248545 + 112.1398@7.74713 7.74713 (113.147, 1979.11) 1 112.1398 112.1398@7.74713 + 551.3452@8.035053 8.035053 (552.3524, 1830.88)(553.3526, 719.92) 1 551.3452 551.3452@8.035053 + 566.3528@8.130615 8.130615 (567.3616, 1249.1399) 2 566.3528 566.3528@8.130615 + 296.1372@8.143648 8.143648 (297.1444, 5217.11)(298.1476, 1236.66) 1 296.1372 296.1372@8.143648 + 335.08@9.1088705 9.1088705 (336.08713, 4799.33)(337.09875, 1201.84)(338.0857, 856.67) 4 335.08 335.08@9.1088705 + 477.0286@9.09713 9.09713 (478.0358, 1275.31) 1 477.0286 477.0286@9.09713 + 415.0586@9.099122 9.099122 (416.0659, 1071.82) 1 415.0586 415.0586@9.099122 + 143.9976@13.323674 13.323674 (145.0049, 4693.02) 1 143.9976 143.9976@13.323674 + 162.0104@13.364597 13.364597 (163.0177, 1898.04) 1 162.0104 162.0104@13.364597 + 504.0057@0.7701267 0.7701267 (505.0129, 1342.08)(506.0139, 794.24) 1 504.0057 504.0057@0.7701267 + 1039.2147@0.7699908 0.7699908 (1040.2214, 3193.845)(1041.2246, 1964.4551)(1042.2238, 1151.8401) 2 1039.2147 1039.2147@0.7699908 + 499.0254@0.77612835 0.77612835 (500.0327, 1538.89) 1 499.0254 499.0254@0.77612835 + 240.0791@0.79113233 0.79113233 (241.0864, 4529.73)(242.091, 1539.67) 1 240.0791 240.0791@0.79113233 + 279.0415@0.796002 0.796002 (280.04858, 4986.007)(281.05182, 1491.6034)(282.0578, 1419.35)(302.0301, 652.63) 8 279.0415 279.0415@0.796002 + 1001.2789@1.005178 1.005178 (1002.28625, 11034.28)(1003.2855, 5157.392)(1004.2826, 2308.13) 4 1001.2789 1001.2789@1.005178 + 998.2824@1.004296 1.004296 (999.28986, 47806.15)(1000.2879, 42693.445)(1001.2875, 26287.479) 5 998.2824 998.2824@1.004296 + 901.7359@1.0068771 1.0068771 (902.7429, 10556.95)(903.7456, 6301.8003)(904.7589, 19602.01)(905.7621, 11215.09)(884.7261, 1002.95)(924.7286, 1533.94) 2 901.7359 901.7359@1.0068771 + 927.2606@1.0063888 1.0063888 (928.2679, 12803.544)(929.26666, 5492.0884)(930.2662, 2453.8718)(931.2596, 1048.455) 12 927.2606 927.2606@1.0063888 + 921.2831@1.006845 1.006845 (922.2924, 5890.0386)(923.29266, 4878.113)(924.271, 57213.496) 24 921.2831 921.2831@1.006845 + 924.2641@1.0059935 1.0059935 (925.2713, 50039.64)(926.26953, 44401.715)(927.269, 25434.092) 12 924.2641 924.2641@1.0059935 + 947.2774@1.0201067 1.0201067 (948.28546, 3651.156)(949.2848, 3571.0898)(950.2842, 2382.5217) 8 947.2774 947.2774@1.0201067 + 729.1509@1.015198 1.015198 (730.1581, 1287.68) 1 729.1509 729.1509@1.015198 + 761.2126@1.017549 1.017549 (762.2199, 333112.03)(763.2189, 122220.234)(764.21747, 43523.777)(765.21643, 13110.084)(766.2155, 3679.864) 7 761.2126 761.2126@1.017549 + 891.2336@1.0231043 1.0231043 (892.24036, 1970.7555)(893.24567, 1732.8446)(894.22656, 2855.0212)(895.2212, 2113.9858)(896.2192, 2040.775) 15 891.2336 891.2336@1.0231043 + 307.0176@1.0236909 1.0236909 (308.0252, 1516.236) 5 307.0176 307.0176@1.0236909 + 633.5338@1.0230231 1.0230231 (634.5397, 10391.635)(635.5416, 4888.0815)(636.5551, 12367.362)(637.5581, 3117.74)(638.56946, 3931.605)(656.52625, 4733.319)(657.52954, 2652.22)(658.5402, 10323.85)(659.5439, 4899.41)(660.5535, 5696.5503) 13 633.5338 633.5338@1.0230231 + 1298.7424@1.0278747 1.0278747 (1299.751, 1119.295)(1300.7568, 932.88)(1316.7761, 1645.13)(1317.778, 1530.785) 2 1298.7424 1298.7424@1.0278747 + 669.5525@1.0203624 1.0203624 (670.5603, 4258.95)(671.56445, 1446.29)(672.5566, 1100.93)(652.5518, 2089.99)(692.542, 1792.28) 5 669.5525 669.5525@1.0203624 + 618.5197@1.0315056 1.0315056 (619.52344, 3154.6848)(636.5547, 8022.39) 2 618.5197 618.5197@1.0315056 + 581.5009@1.0876925 1.0876925 (582.5062, 2086.62)(583.5269, 1538.34)(564.4989, 5872.5)(565.4999, 2565.58)(604.4859, 1936.79)(605.502, 992.11) 2 581.5009 581.5009@1.0876925 + 649.5238@1.0511425 1.0511425 (650.5261, 3879.375)(651.5161, 3078.39) 2 649.5238 649.5238@1.0511425 + 1272.5953@1.0523652 1.0523652 (1273.6016, 10363.785)(1274.605, 7722.518)(1275.608, 3549.765)(1276.612, 1520.6635)(1290.6284, 102511.63)(1291.6323, 86063.26)(1292.6348, 29234.771)(1293.6311, 8726.864)(1294.6257, 2721.0044)(1295.5948, 1612.07)(1295.5914, 2651.41)(1296.5874, 2267.15) 9 1272.5953 1272.5953@1.0523652 + 648.5793@1.0582119 1.0582119 (649.5865, 2355.83) 1 648.5793 648.5793@1.0582119 + 987.2649@1.0412288 1.0412288 (988.2661, 2641.3733)(989.2657, 1028.62) 3 987.2649 987.2649@1.0412288 + 881.7485@1.0533726 1.0533726 (882.7538, 2047.945)(883.7581, 1350.785)(884.7677, 2770.33) 2 881.7485 881.7485@1.0533726 + 1039.2716@1.0633289 1.0633289 (1040.2794, 2673.8767)(1041.28, 2696.995)(1042.2777, 2605.5698) 3 1039.2716 1039.2716@1.0633289 + 1024.2955@1.0546515 1.0546515 (1025.3027, 2197.76)(1026.2985, 1661.31)(1027.2974, 936.45) 2 1024.2955 1024.2955@1.0546515 + 1021.2975@1.0393137 1.0393137 (1022.3044, 4334.288)(1023.30334, 3942.4165)(1024.3037, 2348.9739) 5 1021.2975 1021.2975@1.0393137 + 571.4766@1.0645258 1.0645258 (572.48267, 3810.4897)(573.4885, 2305.91)(574.4673, 7863.7) 5 571.4766 571.4766@1.0645258 + 1040.2723@1.0604292 1.0604292 (1041.2799, 2675.0667)(1042.279, 2423.57)(1043.277, 1630.5668) 3 1040.2723 1040.2723@1.0604292 + 767.5794@1.0557047 1.0557047 (768.5805, 2487.9539)(769.5852, 1624.7639)(770.60065, 3713.9265)(771.5989, 3138.09)(772.6052, 2648.88) 5 767.5794 767.5794@1.0557047 + 1061.2842@1.063418 1.063418 (1062.291, 4792.303)(1063.289, 1712.6732)(1064.2887, 957.5999) 6 1061.2842 1061.2842@1.063418 + 558.4318@1.067215 1.067215 (559.4391, 8998.95)(581.421, 4610.78) 1 558.4318 558.4318@1.067215 + 827.6174@1.067215 1.067215 (828.6247, 1678.12)(829.635, 1202.27)(830.6188, 1536.03) 1 827.6174 827.6174@1.067215 + 852.721@1.0458817 1.0458817 (853.72656, 1113.5549)(854.7185, 1806.12)(855.7282, 1234.4)(870.7544, 9983.49)(871.7565, 6364.65) 2 852.721 852.721@1.0458817 + 580.5036@1.0716509 1.0716509 (581.51025, 2210.3767)(582.5098, 2035.42)(583.5161, 1320.83)(603.4946, 2130.01) 3 580.5036 580.5036@1.0716509 + 1098.313@1.0682153 1.0682153 (1099.3203, 2509.54)(1100.3188, 1394.66) 1 1098.313 1098.313@1.0682153 + 917.7811@1.0682153 1.0682153 (918.7884, 1743.16) 1 917.7811 917.7811@1.0682153 + 586.4531@1.0570014 1.0570014 (587.4651, 2438.775)(609.4568, 3220.98) 2 586.4531 586.4531@1.0570014 + 488.3877@1.0700896 1.0700896 (489.39566, 7902.4736)(490.39944, 3284.51)(471.3864, 4053.55) 7 488.3877 488.3877@1.0700896 + 669.5497@1.0677786 1.0677786 (670.5516, 4025.78)(671.5592, 2245.7798)(672.549, 3669.72)(673.5409, 1217.55) 5 669.5497 669.5497@1.0677786 + 702.6657@1.0712162 1.0712162 (703.673, 1391.52)(704.6731, 869.01)(705.6657, 1187.46) 1 702.6657 702.6657@1.0712162 + 860.757@1.0722166 1.0722166 (861.7643, 869.74)(862.761, 911.19)(863.743, 619.98) 1 860.757 860.757@1.0722166 + 743.492@1.0722166 1.0722166 (744.4992, 3125.64)(745.4982, 1906.48) 1 743.492 743.492@1.0722166 + 354.3135@1.0714681 1.0714681 (355.31934, 2817.734)(356.31796, 1877.9701)(377.30374, 3348.01) 5 354.3135 354.3135@1.0714681 + 932.7704@1.0722166 1.0722166 (933.779, 1230.22)(934.7908, 1308.09)(935.7966, 1153.91)(950.8038, 2013.4)(951.8037, 1224.04)(952.8115, 1083.79)(955.7573, 968.79) 1 932.7704 932.7704@1.0722166 + 509.368@1.0703604 1.0703604 (510.37576, 4629.844)(511.37646, 2931.3657)(512.35626, 3893.7666) 9 509.368 509.368@1.0703604 + 953.8077@1.0732169 1.0732169 (954.8173, 724.78)(936.8039, 1382.93)(937.818, 983.2)(938.828, 886.82) 1 953.8077 953.8077@1.0732169 + 488.335@1.0742172 1.0742172 (489.3422, 12156.98)(490.3325, 7574.02)(491.3357, 6575.94) 1 488.335 488.335@1.0742172 + 392.3297@1.0742172 1.0742172 (393.3366, 3898.41)(415.3193, 4688.56) 1 392.3297 392.3297@1.0742172 + 539.4241@1.089947 1.089947 (540.429, 5761.556)(541.4296, 2826.6213)(542.4291, 3481.55)(522.4176, 3843.44)(557.4546, 4646.62)(562.41266, 3841.9531) 10 539.4241 539.4241@1.089947 + 334.2864@1.0736895 1.0736895 (335.29324, 4014.3967)(352.3165, 1433.71)(357.2754, 2333.43) 3 334.2864 334.2864@1.0736895 + 502.368@1.0743601 1.0743601 (503.3754, 7939.254) 10 502.368 502.368@1.0743601 + 343.2698@1.0745924 1.0745924 (704.57, 4627.97)(705.5777, 2766.31)(709.5274, 2005.33)(710.5339, 1920.69)(344.2788, 5933.6333)(345.2818, 1941.974) 6 343.2698 343.2698@1.0745924 + 437.316@1.0723381 1.0723381 (892.6626, 1233.27)(438.3195, 3718.4863) 5 437.316 437.316@1.0723381 + 326.2838@1.0705582 1.0705582 (670.6006, 922.29)(675.5577, 1377.1)(327.29053, 1877.2451)(349.2731, 5951.61)(350.2838, 3559.96) 4 326.2838 326.2838@1.0705582 + 549.4021@1.0740186 1.0740186 (550.40356, 5491.5547)(551.3962, 3338.1099)(552.38635, 5325.885)(567.4359, 5294.83) 2 549.4021 549.4021@1.0740186 + 672.4932@1.0762179 1.0762179 (673.4972, 3562.79)(695.4865, 2406.21) 1 672.4932 672.4932@1.0762179 + 496.4106@1.0852878 1.0852878 (497.41608, 3876.5728)(498.41684, 2175.077)(499.4219, 1328.3)(514.4429, 2838.225) 8 496.4106 496.4106@1.0852878 + 729.5157@1.0784876 1.0784876 (730.5187, 3441.185)(731.5156, 2343.805)(732.52496, 3110.94)(752.4946, 1547.31)(753.4969, 1153.89)(754.51, 1523.5) 2 729.5157 729.5157@1.0784876 + 282.2181@1.0846452 1.0846452 (565.4426, 3273.73)(582.4689, 4127.7197)(583.46924, 2176.99)(584.4756, 3627.145)(283.22403, 2523.4434)(284.22214, 1123.0468)(285.2207, 2285.98)(265.2146, 2188.15)(305.2097, 3047.105) 3 282.2181 282.2181@1.0846452 + 515.3792@1.1083771 1.1083771 (516.38684, 8091.143)(517.386, 4672.349)(518.37317, 8070.324)(519.37024, 4472.96)(520.38806, 4332.05)(498.37665, 6687.67)(499.37466, 3303.96)(500.359, 10927.346)(501.3664, 4491.4624)(502.3739, 10399.652)(538.3681, 2743.78)(539.3652, 1759.1) 15 515.3792 515.3792@1.1083771 + 428.2887@1.1658897 1.1658897 (429.29776, 2894.8325)(446.3242, 2672.38) 4 428.2887 428.2887@1.1658897 + 675.5229@1.0786575 1.0786575 (676.52844, 7029.9346)(677.5297, 3496.3574)(678.5363, 2484.0833)(698.5129, 3483.57) 4 675.5229 675.5229@1.0786575 + 846.7491@1.0705403 1.0705403 (847.75665, 6170.8164)(848.76404, 2496.035)(849.7711, 756.18) 3 846.7491 846.7491@1.0705403 + 350.243@1.0841575 1.0841575 (351.251, 7341.245)(333.2378, 4679.55)(368.2804, 1722.68) 2 350.243 350.243@1.0841575 + 501.3675@1.0764211 1.0764211 (502.37372, 14057.906)(503.37546, 7320.403)(504.3843, 9155.157)(524.354, 2835.31) 5 501.3675 501.3675@1.0764211 + 204.1507@1.1026978 1.1026978 (205.1577, 2580.73)(206.1538, 1009.67)(187.1484, 1035.55) 2 204.1507 204.1507@1.1026978 + 206.1302@1.1025407 1.1025407 (207.13739, 3945.5752)(208.13705, 1152.71) 2 206.1302 206.1302@1.1025407 + 739.5232@1.0946323 1.0946323 (740.52954, 1716.6957)(741.5352, 1152.4087)(742.5299, 1727.668)(762.5116, 2250.7126)(763.5095, 1480.3125)(764.5247, 2319.675) 9 739.5232 739.5232@1.0946323 + 335.2449@1.1224532 1.1224532 (336.24966, 3089.1633) 3 335.2449 335.2449@1.1224532 + 200.155@1.0832202 1.0832202 (201.1623, 3004.08)(202.1661, 802.1) 1 200.155 200.155@1.0832202 + 892.7905@1.0745069 1.0745069 (893.7988, 1979.0101)(894.805, 2451.6)(895.8099, 1240.59)(915.7725, 749.0) 3 892.7905 892.7905@1.0745069 + 180.1514@1.0874342 1.0874342 (181.1582, 3106.28)(182.15884, 954.955)(163.14734, 2074.165)(203.1423, 1659.73) 2 180.1514 180.1514@1.0874342 + 767.696@1.0820185 1.0820185 (768.7043, 2555.1765) 3 767.696 767.696@1.0820185 + 751.4877@1.0778775 1.0778775 (752.4973, 1608.2583)(753.4985, 1219.5381)(754.5094, 2348.2202)(755.5134, 1915.91)(756.526, 2990.97) 6 751.4877 751.4877@1.0778775 + 699.6127@1.0872216 1.0872216 (700.6197, 4072.58)(701.6316, 1981.12)(702.6326, 2130.98)(722.6024, 1846.21)(723.6176, 1418.96)(724.6095, 2336.55) 1 699.6127 699.6127@1.0872216 + 124.0882@1.0919188 1.0919188 (249.1836, 3434.6)(250.1865, 1208.22)(125.095634, 7220.4272)(126.0975, 1391.73)(107.0844, 3584.755) 3 124.0882 124.0882@1.0919188 + 820.7339@1.0892223 1.0892223 (821.7411, 3957.82)(822.7501, 3535.63) 1 820.7339 820.7339@1.0892223 + 827.4971@1.0902226 1.0902226 (828.5059, 1166.13)(829.514, 991.03)(810.4915, 1228.57)(811.4864, 827.23) 1 827.4971 827.4971@1.0902226 + 476.3868@1.0917301 1.0917301 (477.39023, 3197.2832)(478.4074, 1455.41)(459.3852, 11770.65) 6 476.3868 476.3868@1.0917301 + 347.1594@1.0999726 1.0999726 (348.1661, 2889.6274)(365.1934, 8968.71) 4 347.1594 347.1594@1.0999726 + 450.3334@1.0969957 1.0969957 (451.34103, 3559.5042)(473.3189, 2653.92) 7 450.3334 450.3334@1.0969957 + 474.292@1.1198124 1.1198124 (475.2999, 4030.6433)(476.3012, 1993.42)(492.3262, 9832.06)(493.3302, 6559.79)(494.3151, 7497.88)(497.28064, 1172.125) 6 474.292 474.292@1.1198124 + 715.6078@1.1162314 1.1162314 (716.6151, 14791.38)(717.6198, 5016.62) 1 715.6078 715.6078@1.1162314 + 737.493@1.1028931 1.1028931 (738.50586, 1988.29)(739.504, 1149.04)(740.5129, 1907.86) 2 737.493 737.493@1.1028931 + 780.6231@1.1232338 1.1232338 (781.6304, 1563.92) 1 780.6231 780.6231@1.1232338 + 659.5304@1.1123068 1.1123068 (660.53656, 6739.5103)(661.54175, 3799.9277)(662.5285, 1647.365)(642.5261, 6685.52)(643.5294, 3027.08)(682.5229, 2814.35) 5 659.5304 659.5304@1.1123068 + 629.4411@1.1539705 1.1539705 (630.44385, 1992.37) 2 629.4411 629.4411@1.1539705 + 662.5549@1.1272352 1.1272352 (663.5622, 1151.89)(664.5509, 1153.25)(665.5654, 968.71) 1 662.5549 662.5549@1.1272352 + 164.1192@1.0924361 1.0924361 (165.1268, 3533.0122)(166.1256, 1321.185) 5 164.1192 164.1192@1.0924361 + 697.4873@1.1241674 1.1241674 (698.4914, 2552.8098)(699.50146, 1570.1666)(715.522, 2069.9448)(720.4708, 1412.74) 3 697.4873 697.4873@1.1241674 + 707.5247@1.0989043 1.0989043 (708.528, 2024.185)(730.5139, 2946.22)(731.5163, 1723.81) 2 707.5247 707.5247@1.0989043 + 224.1771@1.1282356 1.1282356 (449.3609, 6005.8)(225.1847, 4561.49)(247.1663, 2505.26) 1 224.1771 224.1771@1.1282356 + 725.4712@1.1036575 1.1036575 (726.4752, 1350.97)(727.4735, 1180.355)(728.4944, 1477.11) 2 725.4712 725.4712@1.1036575 + 400.2519@1.1292359 1.1292359 (401.2591, 11652.81) 1 400.2519 400.2519@1.1292359 + 240.2096@1.0909992 1.0909992 (481.4223, 1307.085)(241.21545, 1526.8066)(263.1994, 2662.8225)(264.20004, 1032.91) 6 240.2096 240.2096@1.0909992 + 272.1413@1.1312366 1.1312366 (273.1485, 5121.41)(274.1571, 1623.5) 1 272.1413 272.1413@1.1312366 + 356.1987@1.1555272 1.1555272 (357.20667, 12380.293)(358.21664, 4647.09)(339.1938, 2276.36) 6 356.1987 356.1987@1.1555272 + 517.4836@1.1312366 1.1312366 (518.4909, 1062.04) 1 517.4836 517.4836@1.1312366 + 418.2678@1.1312366 1.1312366 (419.2751, 3376.27) 1 418.2678 418.2678@1.1312366 + 264.1728@1.1322368 1.1322368 (529.3518, 2118.36)(265.1787, 3779.11)(287.165, 3220.31) 1 264.1728 264.1728@1.1322368 + 702.698@1.138239 1.138239 (703.7053, 2637.24)(704.708, 1587.68) 1 702.698 702.698@1.138239 + 672.653@1.1398275 1.1398275 (673.6592, 9159.914)(674.66205, 5033.198) 5 672.653 672.653@1.1398275 + 477.3874@1.1673247 1.1673247 (478.3986, 3336.7302)(479.4088, 1486.4733) 3 477.3874 477.3874@1.1673247 + 434.3029@1.1463495 1.1463495 (435.30807, 3915.1902)(452.3378, 4744.475)(453.339, 2268.98)(454.3481, 3273.84) 3 434.3029 434.3029@1.1463495 + 806.456@1.1496975 1.1496975 (807.4676, 1508.52)(808.4736, 1195.2)(809.48267, 1491.9) 3 806.456 806.456@1.1496975 + 436.2801@1.1509376 1.1509376 (437.28555, 6516.941)(438.28458, 2626.3792)(439.27124, 1355.0734) 11 436.2801 436.2801@1.1509376 + C22 H43 N4 O 1.1500173 [ C22 H43 N4 O, mfg=82.32, overall=82.32 ] (380.35126, 15643.604)(381.35397, 4470.998) 10 379.3445 C22 H43 N4 O + 434.2395@1.1623162 1.1623162 (435.24457, 11698.57)(436.2521, 4084.59)(437.2463, 7647.82)(438.2554, 2989.18) 2 434.2395 434.2395@1.1623162 + 812.4147@1.1542445 1.1542445 (813.422, 1246.52)(814.4258, 691.13) 1 812.4147 812.4147@1.1542445 + 788.4149@1.1563733 1.1563733 (789.42017, 1244.99)(790.4275, 813.52)(811.4073, 674.72) 2 788.4149 788.4149@1.1563733 + 681.4868@1.2089753 1.2089753 (682.49695, 1749.0449)(683.5013, 1034.49) 2 681.4868 681.4868@1.2089753 + 76.0312@1.1505646 1.1505646 (77.03847, 6236.2397)(78.0417, 998.36) 14 76.0312 76.0312@1.1505646 + 387.2622@1.160521 1.160521 (388.2684, 12737.925)(370.2605, 23307.09) 2 387.2622 387.2622@1.160521 + 222.1267@1.1856054 1.1856054 (445.2573, 2521.0066)(223.13301, 5604.0625)(224.13486, 1400.51)(205.1228, 2527.43)(240.15916, 8310.316)(245.1179, 6254.72) 8 222.1267 222.1267@1.1856054 + 318.1835@1.1840177 1.1840177 (319.1904, 3673.9065) 3 318.1835 318.1835@1.1840177 + 91.0504@1.1772527 1.1772527 (92.0576, 1833.3) 1 91.0504 91.0504@1.1772527 + 671.4996@1.181254 1.181254 (672.5069, 1723.02)(673.5169, 1168.68) 1 671.4996 671.4996@1.181254 + 583.4502@1.1763191 1.1763191 (584.4581, 3732.3567)(585.46326, 1675.2194)(586.4597, 1834.4775)(606.4367, 1633.02) 14 583.4502 583.4502@1.1763191 + 416.325@1.1815656 1.1815656 (417.3324, 16893.156)(418.33438, 5943.347)(419.31625, 14895.788)(439.3161, 1425.84) 8 416.325 416.325@1.1815656 + 408.2153@1.2077256 1.2077256 (409.22162, 13388.881)(391.2119, 13612.58)(431.20508, 16903.676) 4 408.2153 408.2153@1.2077256 + 314.1531@1.1962594 1.1962594 (315.1603, 6290.38) 1 314.1531 314.1531@1.1962594 + 350.2396@1.1982601 1.1982601 (351.2469, 32337.81)(352.2592, 13678.32) 1 350.2396 350.2396@1.1982601 + 409.247@1.2032619 1.2032619 (410.2542, 26571.03)(411.2534, 9255.6) 1 409.247 409.247@1.2032619 + 164.1208@1.2029104 1.2029104 (165.12735, 2364.685) 2 164.1208 164.1208@1.2029104 + 460.1726@1.1522164 1.1522164 (461.18298, 2250.205)(462.1848, 864.51)(478.2113, 2233.63)(479.2022, 1081.01) 2 460.1726 460.1726@1.1522164 + 367.2567@1.223283 1.223283 (752.5538, 762.06)(368.26382, 102345.02)(369.26447, 29314.256)(370.26367, 17860.703) 8 367.2567 367.2567@1.223283 + 562.4021@1.2072634 1.2072634 (563.4098, 6388.56)(585.3889, 1238.62) 1 562.4021 562.4021@1.2072634 + 733.5222@1.1550487 1.1550487 (734.53326, 2163.9026)(735.54, 1428.1666)(736.5312, 1790.1133)(756.5092, 1803.8)(757.5098, 1485.94) 4 733.5222 733.5222@1.1550487 + 352.2261@1.2462455 1.2462455 (353.23038, 13045.618)(375.2158, 27799.99)(376.2295, 12420.08) 5 352.2261 352.2261@1.2462455 + 223.0303@1.2153219 1.2153219 (224.03749, 16124.926)(225.04118, 2054.471)(226.03581, 1206.0)(246.0197, 5693.869)(247.02359, 1413.62) 9 223.0303 223.0303@1.2153219 + 462.3347@1.2228806 1.2228806 (463.34268, 5069.778)(485.3195, 1205.87) 8 462.3347 462.3347@1.2228806 + 800.436@1.2282561 1.2282561 (801.44464, 1438.4332)(802.4464, 1539.15) 3 800.436 800.436@1.2282561 + 3-Hydroxy-palmitic acid methyl ester 1.2287426 C11849 3-Hydroxy-palmitic acid methyl ester [ C17 H34 O3, mfg=42.05, db=50.58, overall=46.32, CAS ID=51883-36-4, KEGG ID=C11849, METLIN ID=69244 ] 51883-36-4 (287.25668, 3631.6865)(288.2588, 1311.5767)(309.2387, 1860.7) 13 286.2497 3-Hydroxy-palmitic acid methyl ester + 505.3244@1.2307366 1.2307366 (506.3349, 2842.975)(507.3348, 1418.82) 2 505.3244 505.3244@1.2307366 + 372.037@1.2287164 1.2287164 (373.04498, 1544.7051)(390.07098, 20018.346)(391.07422, 2296.795)(392.07495, 1093.8049) 2 372.037 372.037@1.2287164 + 414.3338@1.2293104 1.2293104 (415.34058, 31449.031)(416.34348, 8872.857)(417.3438, 3531.22)(432.36664, 1205.39)(437.3241, 1113.88) 14 414.3338 414.3338@1.2293104 + 378.2424@1.2416011 1.2416011 (379.24756, 3634.807)(401.23138, 6912.34) 3 378.2424 378.2424@1.2416011 + 426.2967@1.2359186 1.2359186 (427.30453, 11553.154)(428.3039, 3981.7576)(429.30246, 2530.2683)(444.33115, 2683.109)(445.33182, 1656.4901)(446.317, 3074.8) 13 426.2967 426.2967@1.2359186 + 697.57@1.2462776 1.2462776 (698.5772, 1318.78)(699.5909, 1003.22) 1 697.57 697.57@1.2462776 + 403.259@1.2127883 1.2127883 (404.26462, 6476.022)(405.2669, 2983.87)(426.24884, 10564.955)(427.25085, 3594.885) 11 403.259 403.259@1.2127883 + 587.3814@1.1875113 1.1875113 (588.39294, 2286.94)(589.3833, 1728.12)(590.3955, 2068.69) 2 587.3814 587.3814@1.1875113 + 251.1839@1.2545377 1.2545377 (503.3766, 10417.56)(504.3761, 3541.21)(505.3876, 1899.95)(520.4069, 9083.597)(521.40906, 3437.875)(525.3648, 1434.0)(252.1929, 3592.3782) 5 251.1839 251.1839@1.2545377 + C22 H43 N O2 + 1.2517655 1.2517655 [ C22 H43 N O2, mfg=95.16, overall=95.16 ] (707.665, 4543.99)(708.6691, 2667.173)(709.67096, 1389.2251)(710.664, 448.13)(729.6462, 2514.865)(730.6486, 1695.9678)(731.65247, 1630.81)(732.645, 783.14)(354.33585, 29018.5)(355.3391, 7773.206)(356.34335, 1878.2786)(336.32535, 16018.612)(337.3273, 4710.44)(338.3336, 1481.12) 20 353.3287 C22 H43 N O2 + 1.2517655 + 761.658@1.2549024 1.2549024 (762.66077, 1290.045)(763.6554, 944.58997)(764.6525, 1060.26) 2 761.658 761.658@1.2549024 + 466.278@1.2552809 1.2552809 (467.2853, 2190.78) 1 466.278 466.278@1.2552809 + 212.1408@1.2514364 1.2514364 (213.14839, 13131.804)(214.1435, 3910.08)(215.1383, 5508.06)(235.1334, 9367.6) 3 212.1408 212.1408@1.2514364 + 651.4101@1.2572815 1.2572815 (652.4189, 1419.09)(634.4038, 1456.4) 1 651.4101 651.4101@1.2572815 + 659.5169@1.258282 1.258282 (660.5251, 1174.89)(642.5135, 7871.37)(643.5126, 3688.61) 1 659.5169 659.5169@1.258282 + 425.2973@1.2597389 1.2597389 (426.30533, 6771.0264)(443.33365, 1446.7949)(448.2901, 1980.43) 9 425.2973 425.2973@1.2597389 + 692.6052@1.2588105 1.2588105 (693.61163, 2942.595)(694.6162, 1924.1101)(695.62695, 1862.94)(715.59235, 2267.2698)(716.59174, 1512.2)(717.611, 3014.3) 4 692.6052 692.6052@1.2588105 + 321.2657@1.2557354 1.2557354 (322.27084, 6340.745)(323.27264, 3468.085) 10 321.2657 321.2657@1.2557354 + 281.1858@1.2588117 1.2588117 (563.3865, 1399.4)(282.1945, 9071.231)(283.1923, 4286.6167)(284.18414, 4087.025)(304.175, 3723.23) 6 281.1858 281.1858@1.2588117 + 210.1258@1.2578866 1.2578866 (211.133, 21522.34)(212.1383, 4244.115) 4 210.1258 210.1258@1.2578866 + 291.2187@1.2590282 1.2590282 (292.22452, 2961.765) 4 291.2187 291.2187@1.2590282 + 443.3676@1.2596256 1.2596256 (444.37564, 1992.8365)(445.3769, 1020.14)(461.4043, 740.21) 3 443.3676 443.3676@1.2596256 + 597.5063@1.2612832 1.2612832 (598.5136, 8861.29)(599.4994, 3082.7) 1 597.5063 597.5063@1.2612832 + 574.4743@1.2646997 1.2646997 (575.48584, 2555.205)(576.4912, 1305.585)(577.48987, 6708.9097)(578.4939, 5623.99) 2 574.4743 574.4743@1.2646997 + 548.4908@1.2589068 1.2589068 (549.4969, 1973.8551)(550.5002, 1139.5167)(551.478, 4020.52)(531.4877, 1071.485) 6 548.4908 548.4908@1.2589068 + 189.1156@1.2652006 1.2652006 (190.12256, 8919.359) 2 189.1156 189.1156@1.2652006 + 230.2062@1.2742879 1.2742879 (231.2134, 1605.66) 1 230.2062 230.2062@1.2742879 + 472.1962@1.2882931 1.2882931 (473.2048, 4754.89)(495.1839, 4800.11)(496.1872, 607.98)(497.1991, 102.85) 1 472.1962 472.1962@1.2882931 + 891.7891@1.2982969 1.2982969 (892.8029, 587.03)(874.7848, 3180.38)(875.7898, 2149.06)(876.8, 6306.08)(877.8034, 4300.1)(878.8118, 1428.67) 1 891.7891 891.7891@1.2982969 + 1316.3716@1.2986951 1.2986951 (1317.377, 1202.034)(1318.3774, 1252.508)(1319.3766, 1517.578) 5 1316.3716 1316.3716@1.2986951 + 1282.34@1.2998898 1.2998898 (1283.3474, 4629.6953)(1284.345, 2331.375)(1285.3441, 1037.8975) 4 1282.34 1282.34@1.2998898 + 162.1397@1.3038547 1.3038547 (325.28546, 2656.2998)(163.14734, 4115.24)(164.1483, 1036.23) 2 162.1397 162.1397@1.3038547 + 380.3392@1.2924315 1.2924315 (381.34534, 1971.7439)(382.349, 981.78503) 5 380.3392 380.3392@1.2924315 + 463.3505@1.3143213 1.3143213 (464.35757, 7331.0327)(465.3607, 2052.2102)(466.3578, 700.54254) 8 463.3505 463.3505@1.3143213 + 246.1369@1.3173043 1.3173043 (247.1441, 5262.52)(248.1559, 1896.15) 1 246.1369 246.1369@1.3173043 + 326.2914@1.3243068 1.3243068 (327.2987, 8369.33)(328.3035, 1055.81) 1 326.2914 326.2914@1.3243068 + 294.2191@1.2436799 1.2436799 (295.22592, 11936.282)(296.2298, 4603.56)(312.25125, 1788.5249)(317.2096, 3375.28) 3 294.2191 294.2191@1.2436799 + 511.4083@1.299494 1.299494 (512.42163, 6239.1) 2 511.4083 511.4083@1.299494 + 584.4764@1.3451691 1.3451691 (585.48364, 3104.6501)(586.4731, 1122.01) 2 584.4764 584.4764@1.3451691 + 184.1104@1.338778 1.338778 (369.2284, 2233.5898)(185.11775, 10469.143)(186.11588, 3070.2427)(187.1151, 1043.52)(167.10666, 20063.955)(168.1131, 1226.38) 11 184.1104 184.1104@1.338778 + 423.298@1.3787214 1.3787214 (424.30328, 4134.736)(425.3043, 2317.422)(426.307, 4914.7)(406.2957, 6795.99)(407.292, 3283.52)(408.3061, 8357.36)(409.3096, 2390.13) 9 423.298 423.298@1.3787214 + 264.0576@1.355828 1.355828 (265.06436, 2548.955)(287.04684, 2311.205) 2 264.0576 264.0576@1.355828 + 298.2617@1.3593204 1.3593204 (299.269, 8174.49)(300.2736, 2170.54) 1 298.2617 298.2617@1.3593204 + 480.392@1.3149745 1.3149745 (481.4051, 1902.885) 2 480.392 480.392@1.3149745 + 466.3859@1.4007257 1.4007257 (467.39395, 1235.235) 2 466.3859 466.3859@1.4007257 + 332.1246@1.4161355 1.4161355 (333.13202, 4257.955)(334.1426, 1341.13) 2 332.1246 332.1246@1.4161355 + 486.3704@1.4253465 1.4253465 (487.3777, 4106.73) 1 486.3704 486.3704@1.4253465 + 492.3262@1.4263469 1.4263469 (493.3335, 3955.41)(494.3388, 1645.15)(495.3438, 832.77) 1 492.3262 492.3262@1.4263469 + 365.2155@1.4884224 1.4884224 (366.2254, 2253.1675) 4 365.2155 365.2155@1.4884224 + 445.2133@1.4323494 1.4323494 (446.2189, 1287.32)(428.2106, 2360.92)(429.2114, 1143.35) 1 445.2133 445.2133@1.4323494 + 379.2581@1.4363099 1.4363099 (380.2661, 3220.86)(381.2657, 1612.3) 2 379.2581 379.2581@1.4363099 + 384.3365@1.4403527 1.4403527 (385.3437, 4258.89)(386.3475, 1408.13) 1 384.3365 384.3365@1.4403527 + 782.6458@1.4423535 1.4423535 (783.653, 1333.42)(784.6582, 1184.9) 1 782.6458 782.6458@1.4423535 + 569.4495@1.4384131 1.4384131 (570.45667, 6559.4404)(571.45514, 2218.674)(572.456, 1110.013) 13 569.4495 569.4495@1.4384131 + 815.5609@1.4643624 1.4643624 (816.5678, 1158.56)(817.5804, 1001.46)(818.5842, 951.53)(838.5503, 2954.56) 1 815.5609 815.5609@1.4643624 + 838.554@1.4638631 1.4638631 (839.563, 3087.8699)(840.56824, 1944.28)(841.57153, 1087.735) 5 838.554 838.554@1.4638631 + 523.2257@1.4673636 1.4673636 (524.233, 643.02)(525.2296, 774.75) 1 523.2257 523.2257@1.4673636 + 423.3514@1.4693644 1.4693644 (424.3587, 4635.76) 1 423.3514 423.3514@1.4693644 + 448.3218@1.457744 1.457744 (449.32764, 3507.3079)(450.32928, 1346.9559)(451.31845, 1153.995)(471.3045, 817.57) 5 448.3218 448.3218@1.457744 + 542.2211@1.4753671 1.4753671 (543.2285, 3350.3926)(544.2308, 1544.1074) 4 542.2211 542.2211@1.4753671 + 388.2638@1.473731 1.473731 (389.2713, 5028.275)(390.27936, 3357.535) 4 388.2638 388.2638@1.473731 + 234.1292@1.4923738 1.4923738 (235.1365, 6400.37)(236.1345, 1114.42) 1 234.1292 234.1292@1.4923738 + 56.0624@1.5073801 1.5073801 (57.0697, 2686.04) 1 56.0624 56.0624@1.5073801 + 394.2817@1.5063399 1.5063399 (395.28934, 3601.95)(396.29126, 1599.815) 5 394.2817 394.2817@1.5063399 + 393.2474@1.5117973 1.5117973 (394.253, 4875.645)(395.24615, 833.58496) 2 393.2474 393.2474@1.5117973 + 154.0995@1.5202764 1.5202764 (155.10681, 5996.107)(156.10355, 1313.9299) 3 154.0995 154.0995@1.5202764 + 438.3461@1.5273256 1.5273256 (439.3539, 3099.2522)(440.35623, 1129.1843)(441.36316, 868.015)(461.33298, 1123.3534) 9 438.3461 438.3461@1.5273256 + 173.1416@1.525812 1.525812 (174.14874, 3415.2349)(175.1486, 538.8067) 4 173.1416 173.1416@1.525812 + 635.4707@1.5446951 1.5446951 (636.47815, 3292.9937)(637.479, 1342.8745) 10 635.4707 635.4707@1.5446951 + 169.1104@1.5385811 1.5385811 (170.11768, 65289.5)(171.1206, 8235.655)(172.12659, 1463.1066)(152.10667, 3871.9875)(187.1449, 743.07) 11 169.1104 169.1104@1.5385811 + 664.4925@1.5501548 1.5501548 (665.4995, 2430.2188)(666.5032, 1045.317) 18 664.4925 664.4925@1.5501548 + 270.1104@1.5386953 1.5386953 (271.1178, 6778.816)(272.1218, 1294.5886)(273.11752, 1138.36)(293.09976, 5326.7617)(294.10355, 1246.5917) 9 270.1104 270.1104@1.5386953 + 218.0694@1.5485712 1.5485712 (219.07652, 17842.482)(220.08015, 3420.0833)(236.10321, 4866.1763)(237.1065, 1595.45)(241.0589, 7921.3604)(242.06358, 1467.14) 7 218.0694 218.0694@1.5485712 + 424.2075@1.5996656 1.5996656 (425.21625, 2528.2124)(426.21933, 1072.0067)(427.21426, 2347.03)(407.2101, 907.75) 4 424.2075 424.2075@1.5996656 + 790.3931@1.5554003 1.5554003 (791.4003, 1506.12)(792.4034, 750.28) 1 790.3931 790.3931@1.5554003 + 214.1318@1.5564008 1.5564008 (215.139, 10717.65)(216.1419, 2080.47)(197.1287, 4931.87)(198.1257, 707.95) 1 214.1318 214.1318@1.5564008 + 486.3713@1.5564008 1.5564008 (487.3785, 3545.86) 1 486.3713 486.3713@1.5564008 + 492.3256@1.5584016 1.5584016 (493.3329, 3368.25)(494.336, 1310.53) 1 492.3256 492.3256@1.5584016 + 337.2098@1.5644482 1.5644482 (338.21686, 2574.1372)(339.2156, 1322.9733) 7 337.2098 337.2098@1.5644482 + 686.4171@1.5594021 1.5594021 (687.4244, 2517.01)(688.4254, 1532.89) 1 686.4171 686.4171@1.5594021 + 677.2325@1.5865006 1.5865006 (678.24023, 2635.8599)(679.2442, 1457.5525)(700.2278, 781.16) 6 677.2325 677.2325@1.5865006 + 1245.3497@1.5769813 1.5769813 (1246.3572, 1729.605)(1247.3569, 1142.3999)(1248.3549, 755.17) 2 1245.3497 1245.3497@1.5769813 + 1316.3715@1.5743711 1.5743711 (1317.3782, 1067.0349)(1318.3804, 1128.7749)(1319.3788, 1243.9551) 2 1316.3715 1316.3715@1.5743711 + 367.1863@1.5822384 1.5822384 (368.1919, 3353.6226)(369.19174, 1095.16) 4 367.1863 367.1863@1.5822384 + 949.2772@1.5787331 1.5787331 (950.28424, 1738.2833)(951.2837, 1020.8566) 3 949.2772 949.2772@1.5787331 + 141.0174@1.5814115 1.5814115 (142.0247, 3127.18) 1 141.0174 141.0174@1.5814115 + 1242.3494@1.5758729 1.5758729 (1243.3579, 2158.575)(1244.3578, 1717.93)(1245.3577, 1829.5) 2 1242.3494 1242.3494@1.5758729 + 243.0516@1.5912914 1.5912914 (244.05888, 3331.3633)(245.0612, 1099.9) 3 243.0516 243.0516@1.5912914 + 334.1596@1.5937098 1.5937098 (335.16776, 2655.21)(336.1629, 1379.87) 2 334.1596 334.1596@1.5937098 + 489.3837@1.6004196 1.6004196 (490.3909, 11023.44)(491.3929, 2615.11)(492.3926, 711.48) 1 489.3837 489.3837@1.6004196 + 359.2152@1.617427 1.617427 (360.2215, 1254.04)(342.212, 18235.78) 1 359.2152 359.2152@1.617427 + 188.059@1.62682 1.62682 (189.06633, 6919.81)(190.0708, 1428.8033) 3 188.059 188.059@1.62682 + 1429.3774@1.6284319 1.6284319 (1430.3848, 2522.74)(1431.3839, 503.76)(1432.388, 667.87) 1 1429.3774 1429.3774@1.6284319 + 195.0904@1.6443001 1.6443001 (408.2165, 985.31)(196.09665, 9137.662)(197.09734, 1689.096)(213.1212, 1173.61) 5 195.0904 195.0904@1.6443001 + 336.1971@1.6574446 1.6574446 (337.2044, 4785.03)(338.1974, 1182.36) 1 336.1971 336.1971@1.6574446 + 371.2333@1.660433 1.660433 (372.24042, 8158.05)(373.2434, 2322.1326)(374.2512, 1795.17) 4 371.2333 371.2333@1.660433 + 248.1521@1.668359 1.668359 (249.15979, 4768.05)(250.1713, 2047.19) 2 248.1521 248.1521@1.668359 + 838.5567@1.694265 1.694265 (839.5642, 4001.5984)(840.56744, 2199.8018)(841.5707, 1409.0249) 6 838.5567 838.5567@1.694265 + 432.2132@1.7104683 1.7104683 (433.2205, 3438.38) 1 432.2132 432.2132@1.7104683 + 512.1882@1.6705995 1.6705995 (513.1961, 1591.36)(514.1959, 532.96) 2 512.1882 512.1882@1.6705995 + 191.0839@1.7179784 1.7179784 (192.09138, 2659.2566)(214.07385, 7731.58) 3 191.0839 191.0839@1.7179784 + 246.1234@1.7256095 1.7256095 (493.24805, 913.28)(247.12979, 5803.088)(248.13126, 1842.14)(249.1173, 1709.9)(264.1578, 1419.33)(269.1133, 5530.763)(270.11255, 1244.365) 4 246.1234 246.1234@1.7256095 + 214.1316@1.7219864 1.7219864 (215.13861, 11986.286)(216.1362, 3034.77)(237.12195, 1999.51) 3 214.1316 214.1316@1.7219864 + 288.0246@1.7277652 1.7277652 (289.03226, 1856.4233)(311.01315, 920.18) 3 288.0246 288.0246@1.7277652 + 268.1073@1.7269826 1.7269826 (269.1132, 4955.7646)(270.1206, 1322.73) 2 268.1073 268.1073@1.7269826 + 343.2208@1.7534878 1.7534878 (344.2279, 2320.96)(326.2175, 8742.07) 1 343.2208 343.2208@1.7534878 + 383.2381@1.7805002 1.7805002 (384.2454, 2749.6) 1 383.2381 383.2381@1.7805002 + 310.2253@1.8116407 1.8116407 (311.23242, 4973.5073)(312.23685, 1624.9233)(313.2395, 672.06)(333.21286, 1551.845)(334.2197, 807.96) 7 310.2253 310.2253@1.8116407 + 513.3869@1.793513 1.793513 (514.3944, 7225.8076)(515.3978, 2203.9485) 7 513.3869 513.3869@1.793513 + 196.0826@1.8395276 1.8395276 (197.0899, 7308.13)(198.0889, 1517.86) 1 196.0826 196.0826@1.8395276 + 432.2123@1.8475313 1.8475313 (433.2196, 1949.32)(434.2366, 1739.49) 1 432.2123 432.2123@1.8475313 + 96.0574@1.8505328 1.8505328 (97.0646, 7255.15) 1 96.0574 96.0574@1.8505328 + 174.1001@1.8539706 1.8539706 (175.10712, 16915.352)(176.10817, 1908.2899)(177.10516, 1190.02)(197.09001, 4528.6) 9 174.1001 174.1001@1.8539706 + 241.1678@1.8654034 1.8654034 (242.17514, 4748.415)(243.17804, 907.79) 2 241.1678 241.1678@1.8654034 + 564.3259@1.8775455 1.8775455 (565.3332, 2180.99)(566.3262, 1094.73) 1 564.3259 564.3259@1.8775455 + 115.0961@1.878546 1.878546 (116.1033, 3417.09) 1 115.0961 115.0961@1.878546 + 567.6925@1.8795464 1.8795464 (568.6998, 1674.78) 1 567.6925 567.6925@1.8795464 + 277.0955@1.8875206 1.8875206 (278.10278, 9321.558)(279.10477, 2104.1667)(280.0943, 566.61) 4 277.0955 277.0955@1.8875206 + 210.0367@1.8916304 1.8916304 (211.04395, 3352.4565) 14 210.0367 210.0367@1.8916304 + 380.2198@1.9025574 1.9025574 (381.2271, 1974.95)(382.2307, 1028.69) 1 380.2198 380.2198@1.9025574 + 508.3431@1.9238982 1.9238982 (509.3504, 2141.2651)(510.3502, 518.67) 2 508.3431 508.3431@1.9238982 + 456.1035@1.9192222 1.9192222 (457.10995, 1706.56)(458.1131, 793.08) 3 456.1035 456.1035@1.9192222 + 156.0899@1.9761403 1.9761403 (157.09715, 11274.355)(158.09695, 1480.73) 2 156.0899 156.0899@1.9761403 + 552.3815@1.986598 1.986598 (553.3887, 3476.06)(554.3925, 688.35) 1 552.3815 552.3815@1.986598 + 577.3997@1.9976035 1.9976035 (578.4069, 3726.59)(579.4196, 1717.33) 1 577.3997 577.3997@1.9976035 + 168.0543@2.003466 2.003466 (169.0616, 6769.1304)(170.06664, 844.50336)(151.0506, 731.71) 3 168.0543 168.0543@2.003466 + 292.9613@2.012611 2.012611 (293.9685, 1222.46) 1 292.9613 292.9613@2.012611 + 628.3935@2.0176134 2.0176134 (629.4007, 2271.98)(630.4101, 823.97) 1 628.3935 628.3935@2.0176134 + 174.1005@2.030371 2.030371 (366.2333, 611.8)(175.10735, 7836.6196)(176.1101, 1532.255)(197.09026, 2210.465) 3 174.1005 174.1005@2.030371 + 407.2523@2.0634282 2.0634282 (408.25906, 1865.3964)(409.26056, 788.6875) 8 407.2523 407.2523@2.0634282 + 643.4869@2.1025667 2.1025667 (644.494, 3618.2)(645.4973, 1186.46) 4 643.4869 643.4869@2.1025667 + 1099.2983@2.110493 2.110493 (1100.304, 1651.9551)(1101.3011, 1136.64) 2 1099.2983 1099.2983@2.110493 + 1394.3733@2.1116602 2.1116602 (1395.3806, 1253.63)(1396.3748, 1006.79) 1 1394.3733 1394.3733@2.1116602 + 1023.2851@2.111983 2.111983 (1024.2911, 1622.9434)(1025.2847, 1387.93)(1026.2859, 1015.135) 3 1023.2851 1023.2851@2.111983 + 949.2659@2.1089768 2.1089768 (950.2719, 981.055)(951.26654, 745.28503) 2 949.2659 949.2659@2.1089768 + 1171.3207@2.1119776 2.1119776 (1172.3292, 1717.7)(1173.3242, 1614.015)(1174.3234, 1117.935) 2 1171.3207 1171.3207@2.1119776 + 1096.3042@2.1140678 2.1140678 (1097.311, 2223.4924)(1098.3077, 2046.6426)(1099.3032, 2049.035)(1100.3029, 1269.895)(1101.3018, 1538.94)(1102.2976, 438.27) 4 1096.3042 1096.3042@2.1140678 + 1316.3723@2.122666 2.122666 (1317.3796, 961.12)(1318.3779, 1134.68)(1319.3691, 1394.34)(1320.3676, 1534.57)(1321.3624, 1441.11) 1 1316.3723 1316.3723@2.122666 + 1391.3906@2.124667 2.124667 (1392.398, 1053.27)(1393.389, 1020.55)(1394.3845, 1114.67) 1 1391.3906 1391.3906@2.124667 + 174.1004@2.089363 2.089363 (175.10765, 9027.82)(176.1098, 1059.97)(197.0899, 2630.41) 2 174.1004 174.1004@2.089363 + 1020.295@2.1296694 2.1296694 (1021.3022, 1570.16)(1022.3028, 1460.87)(1023.2971, 1841.06) 1 1020.295 1020.295@2.1296694 + 1168.3326@2.13067 2.13067 (1169.34, 1117.85)(1170.3417, 1148.12)(1171.3323, 1928.25) 1 1168.3326 1168.3326@2.13067 + 290.0239@2.1525567 2.1525567 (291.03128, 4795.0522)(292.0321, 709.45) 9 290.0239 290.0239@2.1525567 + 358.3075@2.1556826 2.1556826 (359.3147, 23445.32)(360.318, 6580.25)(361.3212, 1088.98)(341.3047, 4429.59)(342.3066, 1218.93)(381.2966, 3769.23)(382.3092, 1228.59) 1 358.3075 358.3075@2.1556826 + 547.3891@2.156683 2.156683 (548.3963, 10907.32)(549.404, 2408.64)(550.4059, 1447.85) 1 547.3891 547.3891@2.156683 + 375.3346@2.1576836 2.1576836 (376.3418, 18025.85)(377.3453, 5193.29) 1 375.3346 375.3346@2.1576836 + 651.3643@2.1636868 2.1636868 (652.3716, 3527.55)(653.3751, 1321.12) 1 651.3643 651.3643@2.1636868 + 688.5161@2.188217 2.188217 (689.52344, 2458.9465)(690.52545, 992.995) 3 688.5161 688.5161@2.188217 + 158.0437@2.1875072 2.1875072 (159.051, 2962.374)(141.0403, 4662.92) 5 158.0437 158.0437@2.1875072 + 336.877@2.1856978 2.1856978 (337.8843, 1462.47) 1 336.877 336.877@2.1856978 + 551.3667@2.2237175 2.2237175 (552.374, 2623.27)(553.3767, 499.69) 1 551.3667 551.3667@2.2237175 + 150.0889@2.2884743 2.2884743 (151.09595, 3120.1165)(133.08583, 10649.197)(134.09108, 1053.0464)(135.0777, 685.5) 12 150.0889 150.0889@2.2884743 + 473.3528@2.448836 2.448836 (474.3601, 12698.23)(475.363, 3673.15)(476.3744, 1249.96) 1 473.3528 473.3528@2.448836 + 473.3523@2.5308807 2.5308807 (474.3596, 5254.97)(475.3651, 1528.52) 1 473.3523 473.3523@2.5308807 + 301.0634@2.6743624 2.6743624 (302.0708, 7218.719)(303.0732, 1289.1508)(304.07416, 1528.63) 17 301.0634 301.0634@2.6743624 + 480.997@2.8413234 2.8413234 (482.0042, 1303.275)(503.9859, 1189.88) 2 480.997 480.997@2.8413234 + 301.0637@2.88913 2.88913 (302.07104, 4053.8398)(303.07547, 920.91003)(304.0728, 682.17) 4 301.0637 301.0637@2.88913 + 98.0369@2.9100914 2.9100914 (99.0442, 8491.0)(100.0445, 1447.54)(101.0386, 690.45) 1 98.0369 98.0369@2.9100914 + 108.0211@2.8929293 2.8929293 (234.0799, 629.21)(109.02841, 10975.621)(110.03254, 1097.2307) 15 108.0211 108.0211@2.8929293 + 340.297@2.9691248 2.9691248 (341.3043, 3889.22)(342.3073, 1034.0) 1 340.297 340.297@2.9691248 + 245.0563@2.9796631 2.9796631 (491.1239, 1474.75)(246.06355, 5955.0635) 9 245.0563 245.0563@2.9796631 + 389.0979@2.9479704 2.9479704 (390.10526, 18424.498) 10 389.0979 389.0979@2.9479704 + 563.3847@3.0021434 3.0021434 (564.3919, 3520.14)(565.393, 1244.08) 1 563.3847 563.3847@3.0021434 + 342.9729@2.9774377 2.9774377 (343.9804, 1561.9146)(344.98212, 608.555) 9 342.9729 342.9729@2.9774377 + 380.2901@3.0111487 3.0111487 (381.2973, 5413.27)(382.3012, 1649.4) 1 380.2901 380.2901@3.0111487 + 479.1305@3.0124047 3.0124047 (480.13757, 1864.1226) 4 479.1305 479.1305@3.0124047 + 506.1255@3.012906 3.012906 (507.13297, 1467.3566)(508.13196, 1149.93)(489.12125, 4009.81) 3 506.1255 506.1255@3.012906 + 400.1332@3.0683022 3.0683022 (401.1411, 2844.0828)(402.1426, 959.0833) 7 400.1332 400.1332@3.0683022 + 724.2114@3.0834389 3.0834389 (725.2186, 2309.6912)(726.22015, 980.795)(747.2, 1493.4141)(748.2013, 912.61) 8 724.2114 724.2114@3.0834389 + 656.1611@3.0874314 3.0874314 (657.1686, 1955.6101)(658.1783, 1125.4299) 5 656.1611 656.1611@3.0874314 + 677.0894@3.0906649 3.0906649 (678.09656, 2611.8135)(679.09875, 1151.5533)(680.1014, 669.18)(700.0799, 741.02) 9 677.0894 677.0894@3.0906649 + 409.0088@3.0859487 3.0859487 (410.01584, 2593.362)(411.0164, 919.71857) 9 409.0088 409.0088@3.0859487 + 388.0815@3.1093612 3.1093612 (389.08844, 1728.51) 2 388.0815 388.0815@3.1093612 + 312.1788@3.2232697 3.2232697 (313.1854, 2764.26)(330.213, 4509.28)(335.1692, 980.03) 1 312.1788 312.1788@3.2232697 + 180.0463@3.2494192 3.2494192 (181.0538, 4389.02)(182.0513, 837.32)(198.0773, 1640.02) 2 180.0463 180.0463@3.2494192 + 179.0945@3.2451375 3.2451375 (180.10172, 8668.587)(181.10402, 975.8843) 7 179.0945 179.0945@3.2451375 + 495.0863@3.3343332 3.3343332 (496.0935, 1052.35) 1 495.0863 495.0863@3.3343332 + 418.1076@3.3503425 3.3503425 (419.1149, 705.06)(401.1043, 1640.35)(402.1048, 789.08) 1 418.1076 418.1076@3.3503425 + 174.1006@3.3533442 3.3533442 (175.1079, 11733.97)(176.11, 2138.72) 1 174.1006 174.1006@3.3533442 + 276.0825@3.4327404 3.4327404 (277.09, 4585.0776)(278.09503, 1048.415)(279.0928, 629.96) 4 276.0825 276.0825@3.4327404 + 174.1004@3.4413946 3.4413946 (175.1077, 5897.81)(176.1077, 1379.74) 1 174.1004 174.1004@3.4413946 + 254.09@3.4552383 3.4552383 (255.09715, 3982.385)(256.10052, 1031.69) 2 254.09 254.09@3.4552383 + 349.1107@3.477415 3.477415 (350.118, 2058.17)(351.1188, 948.36) 1 349.1107 349.1107@3.477415 + 411.9952@3.4883902 3.4883902 (413.00275, 1332.8201) 2 411.9952 411.9952@3.4883902 + 260.1197@3.5004282 3.5004282 (261.1269, 7925.19)(262.1301, 1324.19) 1 260.1197 260.1197@3.5004282 + 190.1071@3.5727203 3.5727203 (191.1147, 4706.096)(192.1186, 866.39)(213.09668, 7625.597)(214.1001, 1829.82)(215.1008, 1156.26) 3 190.1071 190.1071@3.5727203 + 877.634@3.6623118 3.6623118 (878.6407, 1759.1566)(879.64453, 929.27) 3 877.634 877.634@3.6623118 + 319.1172@3.6795306 3.6795306 (320.1244, 3176.3398)(321.1258, 1251.94)(342.1076, 1065.77) 2 319.1172 319.1172@3.6795306 + 222.0866@3.7423685 3.7423685 (223.09439, 3078.6099)(224.0947, 744.92)(225.0962, 1492.29)(245.07599, 3951.825)(246.0784, 644.7) 2 222.0866 222.0866@3.7423685 + 342.1124@3.7485688 3.7485688 (343.1197, 2195.72) 1 342.1124 342.1124@3.7485688 + 294.1044@3.7876172 3.7876172 (295.1112, 3961.885)(296.1149, 1348.27)(317.0936, 1051.49) 2 294.1044 294.1044@3.7876172 + 170.0204@3.7924347 3.7924347 (171.02805, 2033.5076) 4 170.0204 170.0204@3.7924347 + 356.2046@3.7975962 3.7975962 (357.2126, 1823.44)(374.2382, 3726.18)(375.242, 1309.85)(376.24, 1187.44) 1 356.2046 356.2046@3.7975962 + 416.2344@3.8025992 3.8025992 (417.2434, 1070.9)(439.223, 2823.61)(440.2249, 614.55) 1 416.2344 416.2344@3.8025992 + 202.1321@3.8331547 3.8331547 (203.13945, 6438.035)(204.1387, 1461.7451)(220.1677, 925.78) 2 202.1321 202.1321@3.8331547 + 326.2928@3.8448894 3.8448894 (327.3005, 2488.574)(328.3058, 910.5875) 5 326.2928 326.2928@3.8448894 + 184.1211@3.8306148 3.8306148 (185.1284, 4792.17)(186.125, 1203.52) 1 184.1211 184.1211@3.8306148 + 214.1313@3.8406203 3.8406203 (215.1387, 8513.84)(216.1421, 1813.5)(197.1271, 1694.33) 1 214.1313 214.1313@3.8406203 + 274.1644@3.8512444 3.8512444 (275.1713, 3351.1401)(297.15356, 8491.01)(298.16077, 1622.765) 2 274.1644 274.1644@3.8512444 + 510.3661@3.8141074 3.8141074 (511.37305, 1503.7351)(512.3833, 1015.18)(513.3867, 1833.93) 2 510.3661 510.3661@3.8141074 + 298.262@3.8895867 3.8895867 (299.26883, 5725.1694)(300.27585, 1797.1179) 5 298.262 298.262@3.8895867 + 649.5257@3.8876464 3.8876464 (650.533, 823.14) 1 649.5257 649.5257@3.8876464 + 481.3226@3.9076574 3.9076574 (482.3299, 3227.23)(483.3367, 1933.77) 1 481.3226 481.3226@3.9076574 + 396.3331@3.9176629 3.9176629 (397.3403, 1812.8) 1 396.3331 396.3331@3.9176629 + 676.2886@3.9578779 3.9578779 (677.29736, 1546.61)(678.3013, 838.26) 4 676.2886 676.2886@3.9578779 + 333.1142@3.9836996 3.9836996 (334.1218, 4209.69)(335.126, 1160.65)(356.1026, 1785.45) 1 333.1142 333.1142@3.9836996 + ZK 168281 + 3.9079714 3.9079714 ZK 168281 [ C32 H46 O5, mfg=43.74, db=65.07, overall=54.41, Lipid ID=LMST03020622, METLIN ID=42548 ] (533.3252, 2332.8591)(534.3253, 1033.7115)(535.33167, 941.4475) 18 532.3185 ZK 168281 + 3.9079714 + LMST03020622 340.2723@4.0040727 4.0040727 (341.27914, 5015.328)(342.2858, 1356.146) 5 340.2723 340.2723@4.0040727 + 328.2725@4.0087132 4.0087132 (329.2798, 2758.21)(330.2857, 906.19) 1 328.2725 328.2725@4.0087132 + 565.4328@4.0372486 4.0372486 (566.4415, 1226.22) 2 565.4328 565.4328@4.0372486 + 282.0943@4.0477343 4.0477343 (283.1016, 9029.72) 1 282.0943 282.0943@4.0477343 + 282.1932@4.0687456 4.0687456 (283.2005, 2316.64)(284.2122, 754.94) 1 282.1932 282.1932@4.0687456 + 252.1476@4.084755 4.084755 (253.1548, 5090.6)(254.159, 1494.59) 1 252.1476 252.1476@4.084755 + 526.9898@4.0867558 4.0867558 (527.9971, 1196.37) 1 526.9898 526.9898@4.0867558 + 444.2411@4.1095605 4.1095605 (445.24887, 1712.1201)(446.2539, 768.02) 3 444.2411 444.2411@4.1095605 + 260.149@4.1017637 4.1017637 (261.1551, 3435.43)(283.1385, 11306.6)(284.1418, 1791.77) 1 260.149 260.149@4.1017637 + 692.4954@4.0932727 4.0932727 (693.5025, 1838.24) 4 692.4954 692.4954@4.0932727 + 408.2956@4.1557927 4.1557927 (409.3028, 926.69) 1 408.2956 408.2956@4.1557927 + C15 H17 N S2 4.2022943 [ C15 H17 N S2, mfg=75.75, overall=75.75 ] (276.087, 5614.59)(277.09094, 1512.315)(278.0951, 652.89) 16 275.0798 C15 H17 N S2 + 240.1479@4.196815 4.196815 (241.1552, 5720.32)(242.158, 1123.23) 1 240.1479 240.1479@4.196815 + 345.3032@4.20682 4.20682 (346.3104, 5247.06) 1 345.3032 345.3032@4.20682 + Cyclopamine 4.236847 C10798 Cyclopamine [ C27 H41 N O2, mfg=76.10, db=76.09, overall=76.10, CAS ID=4449-51-8, KEGG ID=C10798, METLIN ID=68586 ] 4449-51-8 (412.32022, 103990.76)(413.32367, 36852.695)(414.32294, 14597.357)(415.3298, 7556.24)(416.3297, 1211.78) 12 411.3133 Cyclopamine + 382.9809@4.2248297 4.2248297 (383.9882, 1627.67) 1 382.9809 382.9809@4.2248297 + 446.2645@4.256622 4.256622 (447.26956, 8193.072)(448.27142, 4515.52)(449.27533, 1449.76) 4 446.2645 446.2645@4.256622 + 400.3709@4.2489634 4.2489634 (401.37854, 2653.3398) 4 400.3709 400.3709@4.2489634 + 355.3445@4.2526712 4.2526712 (356.35162, 5582.225)(357.35504, 1950.54) 2 355.3445 355.3445@4.2526712 + 211.1934@4.280179 4.280179 (212.20059, 6052.156)(213.20302, 1268.841) 17 211.1934 211.1934@4.280179 + 216.1474@4.284378 4.284378 (455.2833, 1236.53)(217.15495, 4303.5176)(218.15868, 1016.32745)(219.1422, 753.59)(199.1437, 12591.571)(200.1468, 2505.0698)(201.14984, 734.875) 16 216.1474 216.1474@4.284378 + 214.1314@4.2859926 4.2859926 (215.13867, 8879.538)(216.14157, 1807.722)(232.1659, 671.65) 5 214.1314 214.1314@4.2859926 + 196.1212@4.3051963 4.3051963 (197.12848, 11392.818)(198.12863, 2264.3381) 5 196.1212 196.1212@4.3051963 + 532.3168@4.276588 4.276588 (533.3252, 2390.7998)(534.3268, 852.1625) 4 532.3168 532.3168@4.276588 + 273.2094@4.3181667 4.3181667 (274.2156, 2039.5449)(275.22446, 864.32495) 2 273.2094 273.2094@4.3181667 + 537.4012@4.3228726 4.3228726 (538.4061, 1800.1799)(539.41205, 933.2317) 7 537.4012 537.4012@4.3228726 + 256.1785@4.341638 4.341638 (257.1857, 7791.8066)(258.18872, 1761.8) 6 256.1785 256.1785@4.341638 + 691.4361@4.3368883 4.3368883 (692.4434, 1510.4)(693.4459, 857.64)(694.4591, 768.93) 1 691.4361 691.4361@4.3368883 + 301.2976@4.3368883 4.3368883 (302.3048, 1502.13) 1 301.2976 301.2976@4.3368883 + 254.1628@4.383807 4.383807 (255.17009, 16053.166)(256.17502, 4561.4937) 7 254.1628 254.1628@4.383807 + 337.1135@4.395848 4.395848 (338.12106, 2337.6433)(339.12848, 1013.8) 3 337.1135 337.1135@4.395848 + 440.1773@4.3979197 4.3979197 (441.1846, 2100.62)(442.1887, 846.51) 1 440.1773 440.1773@4.3979197 + 268.1149@4.4809623 4.4809623 (269.1222, 5632.49)(270.132, 904.95) 1 268.1149 268.1149@4.4809623 + 1051.758@4.4868 4.4868 (1052.7655, 1144.125)(1053.7686, 636.47) 2 1051.758 1051.758@4.4868 + 660.9054@4.4938297 4.4938297 (661.9127, 3860.415)(662.9151, 961.15) 2 660.9054 660.9054@4.4938297 + 272.1527@4.502584 4.502584 (273.16028, 6701.551)(274.16534, 1698.116) 10 272.1527 272.1527@4.502584 + 392.7493@4.514979 4.514979 (393.7566, 1597.13) 1 392.7493 392.7493@4.514979 + 254.0156@4.5773535 4.5773535 (255.02287, 3596.5525) 4 254.0156 254.0156@4.5773535 + 370.1327@4.587332 4.587332 (371.13992, 4324.2134) 3 370.1327 370.1327@4.587332 + 675.842@4.5926757 4.5926757 (676.84973, 3100.234)(677.8511, 1029.95)(678.8482, 4955.13) 5 675.842 675.842@4.5926757 + 651.8626@4.5950184 4.5950184 (652.8707, 1918.74)(674.8512, 1655.67) 1 651.8626 651.8626@4.5950184 + 653.8609@4.596119 4.596119 (654.8679, 5162.2)(655.8699, 1199.54)(656.86633, 6835.955)(657.8705, 1292.885)(658.8646, 2341.9248) 4 653.8609 653.8609@4.596119 + 340.0927@4.6078625 4.6078625 (341.09937, 1655.7749)(342.1008, 606.01) 2 340.0927 340.0927@4.6078625 + 288.1685@4.627034 4.627034 (289.1758, 5213.03)(290.1817, 1317.82)(291.1692, 877.11) 1 288.1685 288.1685@4.627034 + 270.0793@4.640102 4.640102 (271.08633, 3704.6716)(272.0898, 1095.42)(273.0941, 1025.65) 6 270.0793 270.0793@4.640102 + 559.7254@4.6584144 4.6584144 (560.7319, 1075.5934) 3 559.7254 559.7254@4.6584144 + 228.1112@4.6790595 4.6790595 (229.1185, 7793.27)(230.1271, 1372.53)(231.1187, 1130.6) 1 228.1112 228.1112@4.6790595 + 313.0841@4.6820607 4.6820607 (314.0914, 2728.47)(315.1013, 871.45) 1 313.0841 313.0841@4.6820607 + 188.1164@4.689439 4.689439 (189.12354, 7963.7773)(190.12814, 1761.2839) 8 188.1164 188.1164@4.689439 + 1051.6263@4.6955404 4.6955404 (1052.6335, 972.295)(1053.6381, 830.385) 2 1051.6263 1051.6263@4.6955404 + 877.5652@4.713383 4.713383 (878.57324, 3470.7869)(879.57715, 1764.0468)(880.58966, 4760.15)(881.593, 2259.415)(882.5973, 772.705) 3 877.5652 877.5652@4.713383 + 414.7632@4.7247744 4.7247744 (415.7702, 3608.1624) 4 414.7632 414.7632@4.7247744 + 397.2442@4.7142553 4.7142553 (398.2521, 2399.445)(399.2502, 1758.24)(400.2346, 1333.4) 2 397.2442 397.2442@4.7142553 + 102.0428@4.753094 4.753094 (103.0501, 7861.86) 1 102.0428 102.0428@4.753094 + 990.8216@4.7160554 4.7160554 (991.8277, 955.94336)(992.83136, 718.0867) 3 990.8216 990.8216@4.7160554 + 724.5231@4.7535 4.7535 (725.5303, 3491.96)(726.5347, 1109.5934) 3 724.5231 724.5231@4.7535 + 792.5493@4.7731037 4.7731037 (793.5566, 6380.69)(794.5645, 3802.13)(795.5699, 1409.89) 1 792.5493 792.5493@4.7731037 + 196.0572@4.780318 4.780318 (197.06438, 5992.2266)(198.06761, 1129.5499)(214.0905, 665.16) 14 196.0572 196.0572@4.780318 + 981.5526@4.6835947 4.6835947 (982.56036, 3443.4802)(983.56195, 868.26666)(984.5593, 4669.648)(985.5609, 977.005)(986.5552, 3402.6335)(987.5589, 717.4567)(988.5532, 1474.885) 7 981.5526 981.5526@4.6835947 + 254.0153@4.7808647 4.7808647 (255.02301, 1932.0865) 3 254.0153 254.0153@4.7808647 + 156.0652@4.776105 4.776105 (157.0725, 4792.45)(158.0688, 856.39) 1 156.0652 156.0652@4.776105 + 96.0324@4.7827444 4.7827444 (97.03965, 15711.16)(98.0431, 1354.78) 2 96.0324 96.0324@4.7827444 + 370.1324@4.779106 4.779106 (371.1397, 3068.5) 1 370.1324 370.1324@4.779106 + 195.0271@4.81625 4.81625 (196.03365, 1471.19)(213.0611, 2464.1099) 2 195.0271 195.0271@4.81625 + 884.5398@4.8311305 4.8311305 (885.547, 1838.28)(886.5504, 988.4) 1 884.5398 884.5398@4.8311305 + 600.5112@4.7652593 4.7652593 (601.51733, 3597.8499)(602.5209, 1557.515)(603.5331, 1167.13) 3 600.5112 600.5112@4.7652593 + 418.7561@4.8901567 4.8901567 (419.7634, 2904.58) 1 418.7561 418.7561@4.8901567 + 436.7756@4.8938527 4.8938527 (437.78287, 4112.6733)(438.7844, 684.35) 3 436.7756 436.7756@4.8938527 + 701.5348@4.9021626 4.9021626 (702.542, 2798.95)(703.5466, 1146.25)(704.5497, 895.09) 1 701.5348 701.5348@4.9021626 + 782.6011@4.9071646 4.9071646 (783.6083, 1508.18)(784.6184, 618.78) 1 782.6011 782.6011@4.9071646 + 729.5654@4.9341764 4.9341764 (730.5727, 4330.57)(731.5758, 1847.28) 1 729.5654 729.5654@4.9341764 + 505.3106@4.960188 4.960188 (506.3179, 2789.75)(507.3163, 1708.21) 1 505.3106 505.3106@4.960188 + 346.1426@4.985697 4.985697 (347.14996, 3930.2725)(348.15347, 1057.6635) 4 346.1426 346.1426@4.985697 + 476.2985@5.0452247 5.0452247 (477.3099, 1150.57)(459.2945, 8955.65)(460.2955, 2275.26)(461.2894, 808.49) 1 476.2985 476.2985@5.0452247 + C13 H12 N2 O S 5.1224732 [ C13 H12 N2 O S, mfg=65.27, overall=65.27 ] (245.07468, 3553.4622)(246.0769, 922.44) 14 244.0672 C13 H12 N2 O S + 480.3014@5.1820107 5.1820107 (481.30853, 4185.2603)(482.31058, 1019.57996) 5 480.3014 480.3014@5.1820107 + 549.3378@5.18128 5.18128 (550.345, 2330.1)(551.3472, 1012.77) 1 549.3378 549.3378@5.18128 + 358.2819@5.2028675 5.2028675 (359.28925, 1756.6799) 2 358.2819 358.2819@5.2028675 + 551.3549@5.379355 5.379355 (552.3622, 1965.17)(553.3736, 1077.91) 1 551.3549 551.3549@5.379355 + 256.1535@5.3882856 5.3882856 (257.16132, 6375.05)(258.16687, 1438.22) 2 256.1535 256.1535@5.3882856 + 755.4729@5.382737 5.382737 (756.48016, 2154.1826)(757.4859, 1011.3075)(758.4924, 767.04) 4 755.4729 755.4729@5.382737 + 961.5523@5.3936067 5.3936067 (962.5588, 1593.36)(963.5546, 978.55)(964.54395, 2547.43)(965.5394, 1628.05)(966.5384, 1524.64) 3 961.5523 961.5523@5.3936067 + 1061.71@5.390359 5.390359 (1062.7172, 1134.41) 1 1061.71 1061.71@5.390359 + 954.509@5.390359 5.390359 (955.5163, 1105.71)(956.5227, 1170.8)(957.5225, 983.99) 1 954.509 954.509@5.390359 + 991.6848@5.3943605 5.3943605 (992.6921, 2177.97)(993.6984, 1377.02) 1 991.6848 991.6848@5.3943605 + 1085.7816@5.3973618 5.3973618 (1086.789, 903.89)(1087.7904, 552.21)(1088.8074, 817.93) 1 1085.7816 1085.7816@5.3973618 + 915.6337@5.397536 5.397536 (916.6466, 1834.8412)(917.64954, 1083.7267)(918.66095, 1664.5033)(919.6619, 1027.4634)(920.67377, 1082.8334) 9 915.6337 915.6337@5.397536 + 859.0629@5.3973618 5.3973618 (860.0639, 957.23)(842.0608, 3774.66)(843.069, 3726.02)(844.075, 1603.77) 1 859.0629 859.0629@5.3973618 + 827.5443@5.4338703 5.4338703 (828.5471, 173222.94)(829.5503, 90295.0)(830.56476, 123194.14)(831.5694, 31251.68) 3 827.5443 827.5443@5.4338703 + 1017.6888@5.399362 5.399362 (1018.6961, 930.66)(1019.6961, 687.07)(1020.711, 906.91) 1 1017.6888 1017.6888@5.399362 + 905.6033@5.4131603 5.4131603 (906.6131, 5465.75)(907.61914, 2559.18)(908.63086, 4918.6797)(909.63, 2270.035)(910.6356, 1182.675) 2 905.6033 905.6033@5.4131603 + 896.5447@5.408068 5.408068 (897.5449, 9678.824)(898.5622, 7687.9126)(899.5682, 3518.616) 5 896.5447 896.5447@5.408068 + 1007.6565@5.4013634 5.4013634 (1008.6637, 1027.62)(1009.6862, 947.77)(1010.6894, 1081.81) 1 1007.6565 1007.6565@5.4013634 + 1266.8376@5.4228497 5.4228497 (1267.8406, 1699.78)(1268.8387, 1110.37)(1269.837, 1119.0549)(1289.8337, 792.52)(1290.84, 691.92) 2 1266.8376 1266.8376@5.4228497 + 967.6514@5.4073653 5.4073653 (968.6587, 1089.83)(969.6577, 722.99)(970.662, 1221.86)(971.6746, 237.74) 1 967.6514 967.6514@5.4073653 + 537.3067@5.404525 5.404525 (538.3141, 2667.048)(539.31744, 1003.375) 10 537.3067 537.3067@5.404525 + 727.4426@5.407939 5.407939 (728.4498, 3258.909)(729.4535, 1616.9175)(730.4622, 1021.78326) 8 727.4426 727.4426@5.407939 + 1269.8224@5.4093657 5.4093657 (1270.8297, 1255.64)(1271.8314, 1309.14)(1272.8295, 1112.87) 1 1269.8224 1269.8224@5.4093657 + 1259.3314@5.416536 5.416536 (1260.3455, 1615.1367)(1261.333, 1503.7401)(1262.3309, 1522.8368)(1263.3339, 1053.9)(1264.3363, 1027.55)(1282.3268, 962.44)(1283.3157, 1110.11)(1284.3312, 790.12) 3 1259.3314 1259.3314@5.416536 + 1267.3279@5.436484 5.436484 (1268.3368, 1391.9033)(1269.3378, 1213.9033)(1270.3345, 1026.75) 3 1267.3279 1267.3279@5.436484 + 398.7783@5.4113665 5.4113665 (399.7856, 3208.18) 1 398.7783 398.7783@5.4113665 + 1666.1206@5.413367 5.413367 (1667.1279, 1049.61)(1668.1335, 879.95)(1669.1144, 1222.83)(1670.1301, 1109.59)(1671.1259, 1090.51) 1 1666.1206 1666.1206@5.413367 + 1270.3295@5.4143677 5.4143677 (1271.3368, 1328.17)(1272.3387, 1201.6)(1273.3326, 1144.06) 1 1270.3295 1270.3295@5.4143677 + 1233.8456@5.448508 5.448508 (1234.8481, 3212.3345)(1235.8518, 2114.0068)(1236.8423, 1615.9727)(1256.847, 759.01) 11 1233.8456 1233.8456@5.448508 + 830.061@5.4488935 5.4488935 (1661.126, 1382.06)(1662.1317, 1743.56)(1663.1324, 1520.2)(831.0679, 6157.627)(832.07477, 3213.386)(833.0792, 2040.3025) 16 830.061 830.061@5.4488935 + 1255.827@5.433688 5.433688 (1256.8334, 1046.3574)(1257.8293, 1189.0051)(1258.8335, 1232.1875)(1259.8424, 1067.32)(1260.8346, 1073.41) 4 1255.827 1255.827@5.433688 + 1663.1393@5.447335 5.447335 (1664.1364, 1675.8013)(1665.1328, 1286.4834)(1666.1344, 1255.262)(1667.1202, 1006.05)(1668.1125, 1009.05) 8 1663.1393 1663.1393@5.447335 + 1646.1215@5.4272375 5.4272375 (1647.1299, 1866.5)(1648.1351, 1886.8625)(1649.135, 1521.875)(1650.1252, 1168.22)(1651.1218, 1109.3)(1669.1062, 704.54)(1670.117, 814.85)(1671.1166, 863.06995) 5 1646.1215 1646.1215@5.4272375 + 1649.1317@5.419369 5.419369 (1650.1357, 2153.77)(1651.1346, 1800.14)(1652.1302, 2076.4)(1653.1262, 1736.74)(1654.127, 2137.05)(1672.1272, 1390.38)(1673.1361, 1263.3)(1674.129, 1062.5)(1675.1163, 1065.66)(1676.1191, 1143.0) 1 1649.1317 1649.1317@5.419369 + 1236.8362@5.429444 5.429444 (1237.8396, 2136.294)(1238.8431, 1725.1013)(1239.8431, 1698.7244)(1240.8367, 1772.02)(1241.8364, 2866.74)(1219.8318, 6450.5103)(1220.838, 5515.65)(1221.8422, 2700.02) 8 1236.8362 1236.8362@5.429444 + 1641.611@5.423637 5.423637 (1642.6228, 1094.64)(1643.6183, 989.01)(1644.6145, 1081.64) 2 1641.611 1641.611@5.423637 + 1630.6215@5.423371 5.423371 (1631.6243, 995.16)(1632.6226, 1033.88)(1633.6246, 1235.07)(1653.6154, 657.36)(1654.6216, 626.76)(1655.628, 1040.12)(1656.6145, 798.2)(1657.6146, 826.05) 1 1630.6215 1630.6215@5.423371 + 1224.3344@5.4539237 5.4539237 (1225.3383, 2799.1475)(1226.3416, 2349.323)(1227.3398, 1790.2379)(1207.3312, 5356.295) 8 1224.3344 1224.3344@5.4539237 + 1614.609@5.4243712 5.4243712 (1615.6163, 1191.91) 1 1614.609 1614.609@5.4243712 + 1223.8284@5.447077 5.447077 (1224.8347, 1932.1321)(1225.8402, 2393.8477)(1226.8424, 1934.4138)(1227.8379, 836.445)(1228.827, 996.92)(1206.8268, 2263.9316)(1207.8444, 1637.32)(1208.8387, 1380.64) 10 1223.8284 1223.8284@5.447077 + 1613.1309@5.4512773 5.4512773 (1614.1376, 7968.127)(1615.1431, 6021.7803)(1616.1533, 6483.636)(1617.1577, 3085.1074)(1618.1454, 2875.495)(1619.1655, 1751.05) 9 1613.1309 1613.1309@5.4512773 + 860.611@5.4249325 5.4249325 (861.6154, 10441.825)(862.6209, 9360.14) 2 860.611 860.611@5.4249325 + 1626.6082@5.4519916 5.4519916 (1627.6283, 1108.557)(1628.6273, 1093.96)(1629.6265, 1075.5051)(1630.6237, 1141.48)(1649.5956, 621.07)(1650.6047, 869.92)(1651.5988, 512.66) 7 1626.6082 1626.6082@5.4519916 + 1631.0948@5.4494386 5.4494386 (1632.1226, 1503.51)(1633.1167, 1653.96)(1649.1302, 2915.16)(1650.1329, 2524.5) 4 1631.0948 1631.0948@5.4494386 + 1623.6185@5.438643 5.438643 (1624.6251, 2246.1384)(1625.6302, 1795.7933)(1626.6328, 1408.168)(1646.62, 842.32) 6 1623.6185 1623.6185@5.438643 + 1216.3304@5.4650517 5.4650517 (1217.3358, 2019.085)(1218.3392, 1934.8625)(1219.3369, 1523.7839)(1220.3441, 862.24)(1199.3284, 2543.405)(1200.3319, 3698.74)(1201.3394, 2657.58)(1239.331, 1014.36)(1240.3359, 1175.63)(1241.3324, 954.94) 8 1216.3304 1216.3304@5.4650517 + 955.6616@5.4373755 5.4373755 (956.6689, 1058.29)(957.6855, 655.94) 1 955.6616 955.6616@5.4373755 + 1210.8218@5.4507856 5.4507856 (1211.8292, 2947.2874)(1212.8351, 2622.5342)(1213.8416, 2549.4775)(1214.8419, 1762.3135)(1215.8318, 2167.65) 15 1210.8218 1210.8218@5.4507856 + 1619.6154@5.438376 5.438376 (1620.6226, 1265.18)(1621.623, 1196.21)(1622.6207, 1338.93) 1 1619.6154 1619.6154@5.438376 + 1221.846@5.4984584 5.4984584 (1222.847, 3779.3792)(1223.8472, 2784.2666)(1224.8523, 2015.4326)(1225.842, 4486.71)(1226.8456, 2751.02)(1244.8383, 1405.15)(1245.8379, 1799.47)(1246.8439, 1228.06) 12 1221.846 1221.846@5.4984584 + 1615.6117@5.450677 5.450677 (1616.616, 1378.1975)(1617.6183, 1047.115)(1618.6184, 985.995)(1619.6149, 1006.64)(1598.611, 1109.15)(1599.6167, 1462.13)(1638.6127, 650.81) 4 1615.6117 1615.6117@5.450677 + 1215.8201@5.4602375 5.4602375 (1216.8328, 1856.2224)(1217.8376, 2113.7415)(1218.8363, 1805.5182)(1198.821, 1598.06) 8 1215.8201 1215.8201@5.4602375 + 1210.3512@5.4694486 5.4694486 (1211.3402, 2732.9978)(1212.3398, 2486.5925)(1213.3391, 2090.2556)(1214.3427, 1081.77) 10 1210.3512 1210.3512@5.4694486 + 1214.8131@5.4749794 5.4749794 (1215.8322, 1694.5402)(1216.8326, 1629.374)(1217.8356, 2051.462) 7 1214.8131 1214.8131@5.4749794 + 805.0534@5.4769235 5.4769235 (806.0609, 5888.691) 10 805.0534 805.0534@5.4769235 + 853.5483@5.4707747 5.4707747 (854.5552, 28957.43)(855.5586, 14326.08)(876.5406, 7631.15)(877.5417, 4270.04) 2 853.5483 853.5483@5.4707747 + 1571.1136@5.4531884 5.4531884 (1572.1185, 3304.4146)(1573.1222, 3042.4736)(1574.1274, 2217.444)(1575.1324, 1021.30664)(1594.106, 2180.2183)(1595.1078, 2171.4646)(1596.1157, 3030.34)(1597.1191, 2671.179)(1598.1263, 2622.4016)(1599.1396, 329.63)(1600.1438, 1199.79) 13 1571.1136 1571.1136@5.4531884 + 1603.1218@5.478584 5.478584 (1604.1351, 1728.4635)(1605.1304, 1383.6768)(1606.1278, 1498.2217)(1607.132, 2405.59)(1608.1364, 2983.45) 6 1603.1218 1603.1218@5.478584 + 1601.6139@5.4672337 5.4672337 (1602.6196, 1261.4675)(1603.6234, 1081.02)(1604.6244, 1106.36)(1605.6233, 1034.315)(1606.6213, 992.96) 4 1601.6139 1601.6139@5.4672337 + 1201.8337@5.491196 5.491196 (1202.8326, 1129.5499)(1203.8297, 1323.4)(1204.827, 1140.4) 3 1201.8337 1201.8337@5.491196 + 1561.1038@5.4990025 5.4990025 (1562.1112, 4127.858)(1563.1145, 4237.219)(1564.1248, 8091.142)(1565.1293, 6930.738)(1566.1383, 6681.0737)(1567.1448, 5038.0996)(1579.1324, 1259.78) 13 1561.1038 1561.1038@5.4990025 + 1599.6176@5.4741435 5.4741435 (1600.6246, 1872.7086)(1601.6307, 1719.927)(1602.6383, 1659.3451)(1603.6327, 899.57) 7 1599.6176 1599.6176@5.4741435 + 1590.6133@5.461634 5.461634 (1591.6196, 1109.095)(1592.6194, 949.05)(1593.6205, 942.31006)(1594.6085, 879.42) 2 1590.6133 1590.6133@5.461634 + 1200.8342@5.496147 5.496147 (1201.8373, 1965.0717)(1202.8391, 1587.9539)(1203.8436, 1206.94)(1183.8306, 3240.0967)(1184.8394, 6128.46)(1223.8307, 1540.58) 6 1200.8342 1200.8342@5.496147 + 1188.8323@5.492199 5.492199 (1189.8395, 1045.4875)(1190.8359, 1029.955)(1191.8348, 1088.0701) 4 1188.8323 1188.8323@5.492199 + 815.5691@5.4673862 5.4673862 (816.5764, 366259.75)(817.5794, 176592.92) 1 815.5691 815.5691@5.4673862 + 1591.1469@5.468386 5.468386 (1592.154, 10544.51)(1593.1595, 8536.95)(1594.1653, 7627.72)(1595.1669, 5194.12) 1 1591.1469 1591.1469@5.468386 + 750.48@5.4719224 5.4719224 (751.48895, 1755.4434)(752.49347, 1546.9332) 6 750.48 750.48@5.4719224 + 1577.1299@5.507326 5.507326 (1578.1362, 2424.0466)(1579.1321, 1848.6975)(1580.1296, 2109.7974)(1581.1241, 313.43)(1595.1664, 1820.56)(1596.1742, 1427.84)(1597.1855, 1175.28) 6 1577.1299 1577.1299@5.507326 + 1546.102@5.4803905 5.4803905 (1547.1093, 3890.12)(1548.122, 4087.31)(1549.1213, 3044.8)(1550.1287, 1983.1) 1 1546.102 1546.102@5.4803905 + 1185.8488@5.58841 5.58841 (1186.8547, 2644.2449)(1187.8472, 1971.46)(1188.8322, 1583.9751)(1168.8453, 658.29004) 10 1185.8488 1185.8488@5.58841 + 725.4635@5.4987135 5.4987135 (726.4707, 1997.8201)(727.47144, 1070.22) 2 725.4635 725.4635@5.4987135 + 400.2872@5.5227995 5.5227995 (401.29434, 2299.615) 4 400.2872 400.2872@5.5227995 + 1583.1414@5.50374 5.50374 (1584.1404, 2088.58)(1585.1505, 2483.46)(1586.1562, 2637.19)(1587.1577, 1952.04)(1566.1389, 9671.42)(1606.1259, 1041.34)(1607.1248, 972.26)(1608.1302, 902.71) 2 1583.1414 1583.1414@5.50374 + 1568.1545@5.5200815 5.5200815 (1569.1611, 9232.287)(1570.1675, 7506.54)(1571.1721, 4717.3774)(1572.1779, 934.68) 4 1568.1545 1568.1545@5.5200815 + 1553.1151@5.552378 5.552378 (1554.1217, 2128.97)(1555.1223, 1503.7971)(1556.1229, 1617.9535)(1557.1279, 2119.105)(1558.1357, 1509.04) 7 1553.1151 1553.1151@5.552378 + 722.4479@5.507944 5.507944 (723.45703, 1545.27)(724.4575, 1101.565)(725.4717, 1753.11) 2 722.4479 722.4479@5.507944 + 1551.1165@5.542596 5.542596 (1552.1239, 3033.2358)(1553.1277, 2613.366)(1554.119, 2376.4448)(1555.1238, 915.78) 7 1551.1165 1551.1165@5.542596 + 386.2722@5.4876585 5.4876585 (387.2796, 5121.297)(388.2788, 665.96) 11 386.2722 386.2722@5.4876585 + 1172.3372@5.5324326 5.5324326 (1173.3445, 9587.428)(1174.3494, 6592.9473)(1175.3539, 2650.2366)(1176.3451, 792.03503) 5 1172.3372 1172.3372@5.5324326 + 1172.8407@5.530866 5.530866 (1173.8477, 9748.628)(1174.8523, 4185.4873)(1175.8534, 1300.47) 4 1172.8407 1172.8407@5.530866 + 1515.1223@5.548412 5.548412 (1516.129, 24747.22)(1517.1323, 23260.346)(1518.1378, 18097.05)(1519.1426, 16956.615)(1520.1494, 6133.2354)(1521.1521, 2117.84)(1538.1101, 7983.275)(1539.1138, 7702.06)(1540.1232, 7687.33) 6 1515.1223 1515.1223@5.548412 + 1173.3413@5.525405 5.525405 (1174.3486, 4985.86)(1175.353, 2128.24) 1 1173.3413 1173.3413@5.525405 + 391.7886@5.5302024 5.5302024 (392.79596, 10214.522)(393.7988, 1678.7686) 7 391.7886 391.7886@5.5302024 + 751.4995@5.522074 5.522074 (752.49994, 3096.536)(753.51404, 1850.64) 5 751.4995 751.4995@5.522074 + 1531.1191@5.530404 5.530404 (1532.125, 3447.664)(1533.1278, 3583.38)(1534.1313, 2825.8499)(1535.1388, 1661.68)(1554.1057, 1560.56)(1555.1057, 1086.9299)(1556.1182, 928.935) 5 1531.1191 1531.1191@5.530404 + 1577.1552@5.531407 5.531407 (1578.1548, 1314.25)(1579.1425, 1217.95)(1560.1525, 8032.85)(1561.1536, 6143.34)(1562.1497, 3254.44)(1563.1539, 1101.85) 1 1577.1552 1577.1552@5.531407 + 1258.8435@5.5421553 5.5421553 (1259.8513, 3327.6)(1260.856, 2775.0)(1261.8628, 1884.0) 2 1258.8435 1258.8435@5.5421553 + 703.5123@5.5414104 5.5414104 (704.5196, 3132.1)(705.5262, 1301.77) 1 703.5123 703.5123@5.5414104 + 1489.105@5.5434113 5.5434113 (1490.1123, 2037.08)(1491.1176, 1954.29)(1492.1233, 1358.05) 1 1489.105 1489.105@5.5434113 + 771.5718@5.550569 5.550569 (1544.158, 25300.32)(1545.1624, 22411.01)(1546.1667, 14685.34)(1547.1714, 9962.43)(1548.1768, 5234.86)(1549.159, 1677.07)(772.5764, 174333.77)(773.58044, 86116.03) 2 771.5718 771.5718@5.550569 + 502.0553@5.5754213 5.5754213 (503.0626, 1455.29) 1 502.0553 502.0553@5.5754213 + 867.6454@5.5824237 5.5824237 (868.6527, 7559.51)(869.6557, 4440.05)(870.6679, 11122.64)(871.6708, 6308.42)(872.6777, 691.08) 1 867.6454 867.6454@5.5824237 + 336.2659@5.605431 5.605431 (337.2731, 1613.33) 1 336.2659 336.2659@5.605431 + 1572.1855@5.6082497 5.6082497 (1573.1925, 6005.185)(1574.197, 3535.7852)(1575.1969, 1525.2) 2 1572.1855 1572.1855@5.6082497 + 1262.8739@5.631815 5.631815 (1263.8793, 2760.44)(1264.8813, 1911.025)(1265.8904, 1284.6951) 2 1262.8739 1262.8739@5.631815 + 817.6259@5.6173124 5.6173124 (818.63434, 100339.28)(819.63806, 38548.55)(820.6367, 11250.154)(821.6269, 1544.97) 8 817.6259 817.6259@5.6173124 + 785.5932@5.6431637 5.6431637 (1572.187, 1164.65)(1573.1888, 1002.45)(1594.1714, 1700.11)(1595.1761, 1645.5034)(1596.1805, 851.125)(786.6006, 1381497.5)(787.60443, 671716.06)(788.6083, 222076.2)(789.61194, 56361.9)(790.6092, 8314.787)(808.58203, 50178.99)(809.58545, 19253.135)(810.5982, 12085.69) 22 785.5932 785.5932@5.6431637 + 1158.8264@5.615291 5.615291 (1159.8333, 4539.2954)(1160.8398, 4478.0835)(1161.8446, 2127.0134)(1162.8517, 835.6016)(1176.8655, 1263.69) 18 1158.8264 1158.8264@5.615291 + 557.275@5.6205683 5.6205683 (558.2821, 1794.1599)(559.2839, 853.01) 2 557.275 557.275@5.6205683 + 439.366@5.6165195 5.6165195 (440.37262, 1860.795)(441.3753, 691.53) 4 439.366 439.366@5.6165195 + 795.6089@5.665583 5.665583 (796.6165, 8370.541)(797.6149, 4525.9487)(798.5943, 16423.42) 8 795.6089 795.6089@5.665583 + 1233.834@5.622436 5.622436 (1234.8412, 2020.06) 1 1233.834 1233.834@5.622436 + 1532.1392@5.6264377 5.6264377 (1533.1464, 1223.97)(1534.1458, 1027.23)(1535.1481, 797.64) 1 1532.1392 1532.1392@5.6264377 + 1307.8411@5.613768 5.613768 (1308.8474, 1255.6923)(1309.8591, 1248.1912)(1310.863, 1106.6136)(1330.8324, 827.23) 9 1307.8411 1307.8411@5.613768 + 1166.839@5.6304383 5.6304383 (1167.8463, 1110.23)(1168.8418, 1466.72)(1169.843, 1255.69) 1 1166.839 1166.839@5.6304383 + 961.5599@5.627429 5.627429 (962.56116, 986.86)(963.5686, 881.61)(944.5568, 2646.19)(945.5577, 1707.02)(946.5646, 1586.78) 2 961.5599 961.5599@5.627429 + 797.0857@5.6554446 5.6554446 (798.09283, 3768.2683)(799.0957, 1215.918) 6 797.0857 797.0857@5.6554446 + 1193.8446@5.6361427 5.6361427 (1194.8542, 1092.46)(1195.8529, 1186.23)(1196.8555, 757.92) 2 1193.8446 1193.8446@5.6361427 + 706.5337@5.6617675 5.6617675 (707.54047, 2704.6936)(708.542, 1362.8401)(729.5237, 713.92) 3 706.5337 706.5337@5.6617675 + 1180.8444@5.5966935 5.5966935 (1181.847, 1738.59)(1182.8538, 2184.26) 3 1180.8444 1180.8444@5.5966935 + 1181.3447@5.649444 5.649444 (1182.3519, 2572.51)(1183.3538, 1723.0)(1184.3514, 885.42) 1 1181.3447 1181.3447@5.649444 + 378.2743@5.694628 5.694628 (379.28143, 6731.8403)(380.2833, 807.16)(396.3102, 6009.55)(397.313, 1949.48) 2 378.2743 378.2743@5.694628 + 773.56@5.6367664 5.6367664 (774.5757, 88942.85)(775.57733, 45313.895)(776.57715, 17723.0)(791.608, 6028.81)(796.5541, 10764.47)(797.5467, 4806.99) 3 773.56 773.56@5.6367664 + 983.6321@5.657447 5.657447 (984.6393, 1678.3)(985.6254, 1271.5) 1 983.6321 983.6321@5.657447 + 1194.3512@5.6584473 5.6584473 (1195.3585, 1729.56)(1196.3588, 1835.83)(1197.3574, 1141.75) 1 1194.3512 1194.3512@5.6584473 + 960.619@5.6604476 5.6604476 (961.6249, 1683.26)(962.6237, 1143.16)(963.6397, 1664.85)(964.6385, 1033.91)(983.6089, 3311.85) 1 960.619 960.619@5.6604476 + 1175.856@5.661448 5.661448 (1176.8633, 2177.43)(1177.8616, 1048.59) 1 1175.856 1175.856@5.661448 + 1195.85@5.662448 5.662448 (1196.8573, 1878.94)(1197.8495, 1174.86)(1198.8413, 960.64) 1 1195.85 1195.85@5.662448 + 1215.3453@5.662448 5.662448 (1216.3525, 1279.52)(1217.3546, 1390.86)(1218.3546, 1251.6) 1 1215.3453 1215.3453@5.662448 + 1188.862@5.687671 5.687671 (1189.8718, 2615.855)(1190.8551, 2790.25)(1191.8531, 1135.16) 2 1188.862 1188.862@5.687671 + 1123.759@5.665449 5.665449 (1124.7662, 901.04) 1 1123.759 1123.759@5.665449 + 687.4465@5.5896206 5.5896206 (688.4541, 4623.4897)(689.4592, 1946.2225)(690.4397, 1100.55) 4 687.4465 687.4465@5.5896206 + 1189.3564@5.6704507 5.6704507 (1190.3636, 2863.2)(1191.355, 2506.17)(1192.3561, 770.02) 1 1189.3564 1189.3564@5.6704507 + 1264.8872@5.6834545 5.6834545 (1265.8945, 3641.72)(1266.901, 2023.72) 1 1264.8872 1264.8872@5.6834545 + 314.1164@5.6834545 5.6834545 (315.1237, 3036.76)(316.1291, 651.14) 1 314.1164 314.1164@5.6834545 + 826.5325@5.683838 5.683838 (827.5459, 9735.123) 3 826.5325 826.5325@5.683838 + 495.3676@5.694493 5.694493 (496.3744, 2070.49)(497.3757, 1382.2) 3 495.3676 495.3676@5.694493 + 955.5735@5.5984135 5.5984135 (956.58093, 4906.577)(957.5896, 4208.166)(958.59406, 2346.2)(938.5655, 757.01) 10 955.5735 955.5735@5.5984135 + 596.296@5.705461 5.705461 (597.3037, 2184.44)(598.3078, 852.46)(579.2919, 1345.28) 1 596.296 596.296@5.705461 + 1266.8328@5.705461 5.705461 (1267.8401, 1351.82)(1268.8499, 1062.16)(1269.8547, 956.26) 1 1266.8328 1266.8328@5.705461 + 733.5611@5.706604 5.706604 (734.56824, 21934.363)(735.57214, 9453.567)(736.5752, 2398.098)(737.5781, 197.24666) 13 733.5611 733.5611@5.706604 + 1032.199@5.7074614 5.7074614 (1033.2063, 1245.33)(1034.2129, 1339.81)(1035.2212, 1038.09) 1 1032.199 1032.199@5.7074614 + 813.5509@5.691248 5.691248 (814.5598, 10671.498)(815.5615, 4142.8076)(816.5652, 18274.545)(817.5673, 9988.7)(796.5401, 2753.92)(797.5391, 1605.59)(836.5421, 7341.21)(837.54553, 4262.28)(838.5552, 13727.926)(839.5587, 6438.5303)(840.5712, 32168.03) 9 813.5509 813.5509@5.691248 + 1254.8239@5.663766 5.663766 (1255.8403, 1492.885)(1256.8536, 1313.6)(1257.8381, 2701.155)(1258.8392, 2213.55)(1259.8484, 2124.665) 2 1254.8239 1254.8239@5.663766 + 850.0484@5.8109784 5.8109784 (851.0559, 1378.9501)(852.0596, 996.6016)(853.0712, 1425.8674)(854.0693, 996.12)(855.0561, 1394.08) 6 850.0484 850.0484@5.8109784 + 509.2758@5.7125525 5.7125525 (510.2826, 1793.6375)(511.2886, 744.33496)(492.27194, 2175.705)(493.2746, 876.115)(532.2657, 869.0675) 4 509.2758 509.2758@5.7125525 + 1213.8643@5.713463 5.713463 (1214.8715, 2787.68)(1215.8679, 1422.04)(1216.8513, 1120.32) 1 1213.8643 1213.8643@5.713463 + 928.5467@5.751494 5.751494 (929.55865, 1861.6768)(930.56, 1560.4933)(931.5596, 1283.415)(911.5449, 2047.24)(912.5517, 2224.92)(913.5548, 1659.6)(951.5311, 892.47) 3 928.5467 928.5467@5.751494 + 911.5491@5.7747993 5.7747993 (912.5546, 4931.855)(913.5556, 2075.47)(914.5613, 2790.67)(915.572, 535.65)(934.5368, 4191.33)(935.5379, 2779.28)(936.5551, 3436.47) 2 911.5491 911.5491@5.7747993 + 1283.8483@5.6266274 5.6266274 (1284.8531, 1801.2316)(1285.8618, 1469.55)(1286.8668, 1057.72)(1306.8325, 1104.375)(1307.8398, 1013.84) 6 1283.8483 1283.8483@5.6266274 + 533.2754@5.7244663 5.7244663 (534.2826, 3571.08)(535.2871, 1283.43)(556.265, 1153.02) 1 533.2754 533.2754@5.7244663 + 475.2679@5.7244663 5.7244663 (476.2752, 32622.17)(477.2791, 7802.72)(498.2572, 4836.14)(499.2593, 1304.89) 1 475.2679 475.2679@5.7244663 + 593.3688@5.728467 5.728467 (594.3761, 5183.55)(595.3788, 2378.74)(596.3824, 897.72) 1 593.3688 593.3688@5.728467 + 872.6784@5.6926165 5.6926165 (873.6797, 1089.04)(874.6583, 700.96)(875.6476, 630.41) 2 872.6784 872.6784@5.6926165 + 875.6312@5.735469 5.735469 (876.6385, 6660.43)(877.6431, 2120.35) 1 875.6312 875.6312@5.735469 + 693.4564@5.7291527 5.7291527 (694.465, 1556.39)(695.4714, 931.11005) 3 693.4564 693.4564@5.7291527 + 183.1371@5.753474 5.753474 (184.1444, 22477.82)(185.1475, 2758.72) 1 183.1371 183.1371@5.753474 + 465.322@5.7544746 5.7544746 (466.3293, 1560.94) 1 465.322 465.322@5.7544746 + 847.6041@5.7554746 5.7554746 (848.6114, 12317.96)(849.6145, 6499.62) 1 847.6041 847.6041@5.7554746 + 715.4501@5.760476 5.760476 (716.4574, 2759.97)(717.4601, 1080.59) 1 715.4501 715.4501@5.760476 + 357.2873@5.7593637 5.7593637 (358.29465, 2655.435)(359.29828, 1118.3451) 8 357.2873 357.2873@5.7593637 + 600.3277@5.76115 5.76115 (601.33606, 1160.5325)(583.32434, 4198.2026)(584.3306, 1544.3562)(585.3308, 762.08)(623.31647, 1055.1725) 8 600.3277 600.3277@5.76115 + 787.5371@5.769479 5.769479 (788.5444, 16769.19)(789.5494, 8585.08) 1 787.5371 787.5371@5.769479 + 703.478@5.77827 5.77827 (704.48773, 2530.77)(705.4879, 1058.6)(706.4953, 1545.645)(726.468, 2436.58) 2 703.478 703.478@5.77827 + 740.4796@5.7630744 5.7630744 (741.48254, 1455.2151) 2 740.4796 740.4796@5.7630744 + 731.4731@5.776856 5.776856 (732.4803, 9069.8)(733.4847, 4140.413)(734.4803, 1654.3885)(754.4647, 1918.35) 10 731.4731 731.4731@5.776856 + 346.1425@5.7763343 5.7763343 (347.1502, 5839.47)(348.15402, 1821.3734)(369.1311, 1240.52) 4 346.1425 346.1425@5.7763343 + 580.3007@5.778481 5.778481 (581.308, 2136.42)(582.3128, 1005.94) 1 580.3007 580.3007@5.778481 + 400.7569@5.7675533 5.7675533 (401.76447, 4077.2) 5 400.7569 400.7569@5.7675533 + 216.093@5.787483 5.787483 (217.1002, 9435.32)(218.1018, 1540.32) 1 216.093 216.093@5.787483 + 515.2647@5.787483 5.787483 (516.272, 2646.29)(517.2722, 847.49) 1 515.2647 515.2647@5.787483 + 475.2711@5.796486 5.796486 (476.2784, 2558.46)(477.2914, 911.41) 1 475.2711 475.2711@5.796486 + 531.2568@5.802757 5.802757 (532.2639, 2396.705)(533.2673, 874.41)(554.2465, 1359.28) 2 531.2568 531.2568@5.802757 + 578.2867@5.802488 5.802488 (579.294, 2835.72)(580.2957, 1231.55) 1 578.2867 578.2867@5.802488 + 529.7954@5.83422 5.83422 (530.8015, 2204.255)(531.8025, 924.385) 4 529.7954 529.7954@5.83422 + 1653.6793@5.8360424 5.8360424 (1654.6853, 1536.7662)(1655.687, 684.03) 8 1653.6793 1653.6793@5.8360424 + 859.0678@5.8323784 5.8323784 (860.0749, 1239.3334)(861.0737, 965.508)(862.052, 1031.9) 6 859.0678 859.0678@5.8323784 + 417.2597@5.8247604 5.8247604 (835.5311, 1010.76)(418.26663, 3054.7957)(419.2735, 628.005) 7 417.2597 417.2597@5.8247604 + 739.5466@5.832495 5.832495 (740.5539, 1365.88)(741.5571, 933.06)(742.5544, 856.62) 1 739.5466 739.5466@5.832495 + 1259.769@5.8312516 5.8312516 (1260.7771, 2376.7864)(1261.7789, 931.3433) 11 1259.769 1259.769@5.8312516 + 499.2643@5.8344955 5.8344955 (500.2716, 1646.95) 1 499.2643 499.2643@5.8344955 + 986.5259@5.8327103 5.8327103 (987.5324, 2721.8357)(988.53314, 1175.4629)(989.52527, 1022.52) 7 986.5259 986.5259@5.8327103 + 836.0584@5.8384967 5.8384967 (837.0657, 1710.58)(838.0613, 1862.01)(839.0575, 2173.36) 1 836.0584 836.0584@5.8384967 + 982.5497@5.8384967 5.8384967 (983.5535, 1058.84)(965.5471, 2073.55)(966.5375, 1837.41)(967.5386, 1093.39) 1 982.5497 982.5497@5.8384967 + 905.5267@5.839497 5.839497 (906.5339, 4362.45)(907.5384, 3552.47) 1 905.5267 905.5267@5.839497 + 1009.5434@5.8330526 5.8330526 (1010.5487, 1645.7809)(1011.55444, 1062.3677)(1012.5447, 3590.6848)(1013.54767, 2104.5535)(1014.54297, 1718.85)(1032.5298, 943.18)(1033.5299, 772.20996)(1034.5281, 770.92) 10 1009.5434 1009.5434@5.8330526 + 999.5277@5.8835993 5.8835993 (1000.53284, 1226.85)(1001.5423, 913.2386)(1002.5288, 1039.1633)(1003.5311, 464.98)(1004.5168, 1287.22)(1017.5578, 545.89)(1022.51483, 1192.995)(1023.508, 616.71)(1024.5021, 569.06) 8 999.5277 999.5277@5.8835993 + 400.763@5.83706 5.83706 (401.7698, 2221.0825) 4 400.763 400.763@5.83706 + 1221.3531@5.8247066 5.8247066 (1222.3618, 1393.2001)(1223.3651, 1412.0367)(1224.3676, 972.60004) 3 1221.3531 1221.3531@5.8247066 + 1483.7113@5.8480816 5.8480816 (1484.7183, 1436.6299) 2 1483.7113 1483.7113@5.8480816 + 815.4324@5.84143 5.84143 (816.4387, 1920.1266)(817.44354, 1080.21)(818.4449, 1763.01) 3 815.4324 815.4324@5.84143 + 601.3349@5.840039 5.840039 (602.3427, 3021.566)(603.34644, 1086.3046)(604.3545, 607.51) 15 601.3349 601.3349@5.840039 + 749.3872@5.8459673 5.8459673 (750.39856, 2369.415)(751.39923, 1173.225) 2 749.3872 749.3872@5.8459673 + 938.5303@5.8515 5.8515 (939.5376, 1876.82) 1 938.5303 938.5303@5.8515 + C42 H66 Cl N O8 5.8452415 [ C42 H66 Cl N O8, mfg=68.35, overall=34.18 ] (748.45215, 2813.032)(749.45593, 1459.053)(750.4603, 1462.1699)(730.4468, 693.56)(770.4314, 1052.3467)(771.4204, 891.13) 14 747.4454 C42 H66 Cl N O8 + 1144.2756@5.8416553 5.8416553 (1145.2836, 1418.69) 3 1144.2756 1144.2756@5.8416553 + 1187.362@5.8269753 5.8269753 (1188.3687, 2021.655)(1189.3733, 1865.2343)(1190.3727, 922.7899)(1210.358, 898.29) 8 1187.362 1187.362@5.8269753 + 1235.3632@5.8575015 5.8575015 (1236.3702, 985.22)(1237.3654, 789.2)(1238.3575, 800.23) 1 1235.3632 1235.3632@5.8575015 + 1221.8586@5.825751 5.825751 (1222.8638, 1379.5125)(1223.8628, 1000.94)(1224.8553, 581.07)(1204.8608, 649.36)(1244.8497, 819.31) 4 1221.8586 1221.8586@5.825751 + 1174.3524@5.8325906 5.8325906 (1175.3593, 1788.4268)(1176.3643, 1601.8633) 3 1174.3524 1174.3524@5.8325906 + 787.5375@5.8785067 5.8785067 (788.5447, 6308.89)(789.5513, 3674.75) 1 787.5375 787.5375@5.8785067 + 657.4002@5.880507 5.880507 (658.4075, 2223.6)(659.4102, 882.1) 1 657.4002 657.4002@5.880507 + 991.4739@5.9341793 5.9341793 (992.4903, 1106.2849)(993.4857, 825.37)(994.4911, 811.1) 2 991.4739 991.4739@5.9341793 + 824.5529@5.932096 5.932096 (825.56, 40293.938)(826.5647, 26988.176)(827.5677, 11220.343)(847.5505, 7554.39)(848.56, 5630.66)(849.5621, 5166.78) 9 824.5529 824.5529@5.932096 + 683.3562@5.9362273 5.9362273 (684.3655, 2939.62)(685.3681, 1695.47)(686.3703, 947.91) 2 683.3562 683.3562@5.9362273 + 825.5618@5.8917 5.8917 (826.5663, 24779.639)(827.5713, 13795.847)(848.5385, 18586.77)(849.5426, 9473.45) 4 825.5618 825.5618@5.8917 + 681.3421@5.942522 5.942522 (682.3494, 2945.44)(683.3543, 1032.03) 1 681.3421 681.3421@5.942522 + 737.4057@5.959441 5.959441 (738.41345, 1643.26)(739.41614, 909.565)(740.4275, 1514.6001)(741.4347, 585.16)(760.3885, 824.98) 2 737.4057 737.4057@5.959441 + 963.4922@5.9465227 5.9465227 (964.4994, 1475.77)(965.516, 903.9)(966.5123, 2182.48)(967.5171, 695.83)(968.5226, 0.0)(986.4815, 915.21) 1 963.4922 963.4922@5.9465227 + 974.5044@5.9262066 5.9262066 (975.5146, 1267.2275)(976.5239, 1013.39996)(957.5006, 1990.92) 4 974.5044 974.5044@5.9262066 + 953.4775@5.957645 5.957645 (954.4872, 1988.5673)(955.48956, 1139.9415)(956.501, 3068.306)(957.5034, 1821.9241)(958.5137, 2525.4438)(959.5231, 835.64)(960.529, 1146.64)(971.5192, 940.25) 7 953.4775 953.4775@5.957645 + 766.4392@5.9485235 5.9485235 (767.4465, 3577.87)(768.4505, 2914.08)(769.4584, 530.5) 1 766.4392 766.4392@5.9485235 + 952.5188@5.9599767 5.9599767 (953.5327, 1679.7799)(954.54846, 1241.055)(975.5128, 1052.29) 3 952.5188 952.5188@5.9599767 + 771.5993@5.9616575 5.9616575 (772.6122, 2642.1602)(773.6143, 1728.85)(774.59845, 4516.005)(775.60205, 1363.7324)(776.5902, 914.335) 4 771.5993 771.5993@5.9616575 + 367.0109@5.957511 5.957511 (368.01855, 3249.483) 13 367.0109 367.0109@5.957511 + 499.2692@5.9585257 5.9585257 (500.2765, 3424.39)(501.2796, 1152.55) 1 499.2692 499.2692@5.9585257 + 219.1261@5.9656577 5.9656577 (220.13358, 4167.315)(221.13658, 912.3175) 10 219.1261 219.1261@5.9656577 + 254.0783@5.972065 5.972065 (255.08553, 4325.3403)(256.08725, 865.775) 10 254.0783 254.0783@5.972065 + 687.4412@5.9869995 5.9869995 (688.4521, 7008.045)(689.4587, 2371.0525)(690.4567, 4808.7)(691.4621, 2146.49)(710.4389, 1927.92) 4 687.4412 687.4412@5.9869995 + 236.0799@6.0089984 6.0089984 (237.08723, 4031.4287)(238.09126, 813.9067)(259.06924, 1000.78) 8 236.0799 236.0799@6.0089984 + 361.9185@6.037472 6.037472 (362.92584, 3991.375) 2 361.9185 361.9185@6.037472 + 443.3604@6.062417 6.062417 (444.36774, 2622.3599)(445.371, 1274.395) 2 443.3604 443.3604@6.062417 + 639.3514@6.071549 6.071549 (640.3584, 8394.4)(641.3618, 2458.45)(642.3648, 1016.28)(662.3442, 1402.69) 1 639.3514 639.3514@6.071549 + 711.4459@6.0092244 6.0092244 (712.4633, 2461.327)(713.4649, 1182.2933)(714.46564, 3191.495)(715.4652, 1898.98) 3 711.4459 711.4459@6.0092244 + 824.5593@6.07655 6.07655 (825.5659, 14166.96)(826.568, 9276.34)(827.572, 4452.98)(847.5501, 10938.92)(848.5536, 2907.88)(849.542, 1942.79) 1 824.5593 824.5593@6.07655 + 819.5248@6.025728 6.025728 (820.5293, 1774.8534)(821.53143, 1208.3766)(822.5446, 2363.115)(823.54565, 967.37)(802.5209, 1255.88)(842.51355, 2201.9)(843.5188, 1218.19)(844.5314, 4139.61)(845.5335, 5946.0)(846.5464, 20864.75) 3 819.5248 819.5248@6.025728 + 693.4006@6.0850334 6.0850334 (694.40686, 2702.52)(695.4095, 1370.72)(696.4208, 6382.05)(697.4245, 2446.98)(698.4359, 11196.65)(699.4399, 4358.21) 2 693.4006 693.4006@6.0850334 + 932.619@6.0861883 6.0861883 (933.62573, 2363.9849)(934.6282, 1299.01)(935.6433, 3545.09)(936.645, 1349.77) 2 932.619 932.619@6.0861883 + 600.0843@6.103031 6.103031 (601.09174, 1862.64) 2 600.0843 600.0843@6.103031 + 701.856@6.141562 6.141562 (702.8633, 2262.18) 1 701.856 701.856@6.141562 + 703.4741@6.1655664 6.1655664 (704.4814, 5253.06)(705.4837, 2373.71)(706.47, 1875.82) 1 703.4741 703.4741@6.1655664 + 775.4034@6.1725907 6.1725907 (776.4104, 1953.5625)(777.40594, 1280.6234)(778.4295, 1326.96)(793.4335, 967.41) 4 775.4034 775.4034@6.1725907 + 181.0739@6.178599 6.178599 (182.08115, 54016.176)(183.08412, 5986.092)(184.0881, 1150.0549)(204.06384, 2989.0264)(205.067, 1224.17) 9 181.0739 181.0739@6.178599 + 647.4138@6.1863556 6.1863556 (648.41925, 4714.7896)(649.42334, 1937.802)(670.405, 3641.19)(671.40894, 1982.6201) 7 647.4138 647.4138@6.1863556 + 1030.6177@6.1780357 6.1780357 (1031.628, 1010.16003)(1032.6267, 768.985)(1033.6426, 1031.575)(1053.6072, 655.78) 2 1030.6177 1030.6177@6.1780357 + 753.416@6.181583 6.181583 (754.4259, 3778.3398)(755.432, 1750.63)(776.4167, 714.64) 2 753.416 753.416@6.181583 + 989.5108@6.173026 6.173026 (990.5135, 1084.48)(991.5232, 672.19)(992.5158, 1061.91)(972.50757, 1899.4199)(973.51105, 848.305)(974.52075, 1182.15) 2 989.5108 989.5108@6.173026 + 960.5324@6.1805687 6.1805687 (961.5397, 1284.75)(962.5409, 834.27)(963.5183, 809.31) 1 960.5324 960.5324@6.1805687 + 693.4096@6.1750126 6.1750126 (694.4138, 2051.53)(695.4128, 945.25336)(696.4209, 5460.7036)(697.42505, 1975.2567)(698.4307, 4894.495)(699.4362, 1505.47)(711.4401, 1228.52) 3 693.4096 693.4096@6.1750126 + 924.5186@6.1872497 6.1872497 (925.52325, 2171.37)(926.5352, 2153.565)(927.53613, 1580.395) 2 924.5186 924.5186@6.1872497 + 621.3052@6.1986704 6.1986704 (622.31195, 2670.69)(623.31525, 1073.1001)(644.2927, 1076.18) 4 621.3052 621.3052@6.1986704 + 288.1186@6.205452 6.205452 (289.12582, 4585.975)(290.12878, 1090.3167)(311.11035, 935.975) 6 288.1186 288.1186@6.205452 + 283.163@6.211574 6.211574 (284.1703, 5429.3)(285.1756, 1026.69) 1 283.163 283.163@6.211574 + 337.0801@6.2124543 6.2124543 (338.08704, 6203.8647)(339.09137, 1370.75)(360.069, 1188.2) 4 337.0801 337.0801@6.2124543 + 659.4162@6.23232 6.23232 (660.42303, 9223.975)(661.4262, 3691.5)(662.4379, 13716.13)(663.4419, 2573.21)(664.454, 13990.92)(682.408, 4043.13)(683.4119, 1615.8)(684.4216, 4670.95) 2 659.4162 659.4162@6.23232 + 675.4455@6.219515 6.219515 (676.45123, 12512.928)(677.4547, 4770.264)(678.46967, 10313.727)(679.4732, 3737.85)(680.4741, 483.59)(698.4328, 5576.81)(699.43823, 2557.5066)(700.4331, 5360.665) 11 675.4455 675.4455@6.219515 + 232.1059@6.2611604 6.2611604 (233.11304, 4918.864)(234.119, 948.2) 3 232.1059 232.1059@6.2611604 + 727.4376@6.259501 6.259501 (728.4461, 7320.144)(729.4498, 3217.4158)(730.4457, 3516.125)(731.4565, 1932.12)(710.4342, 2267.41)(711.435, 1440.13)(712.4158, 4152.18)(713.4193, 1669.5) 7 727.4376 727.4376@6.259501 + 583.3834@6.304171 6.304171 (584.38916, 1532.3434)(585.3955, 971.92)(566.3804, 4311.3)(567.3841, 1396.21) 3 583.3834 583.3834@6.304171 + 905.5042@6.196378 6.196378 (906.5112, 2494.7583)(907.5147, 1545.3716)(908.52734, 4737.2036)(909.5313, 2538.7998)(910.5401, 4199.9814) 6 905.5042 905.5042@6.196378 + 521.3487@6.30831 6.30831 (522.3554, 4622.236)(523.35815, 1580.0184)(524.36475, 1084.7151)(544.3384, 1903.7273)(545.34, 774.52) 14 521.3487 521.3487@6.30831 + 921.5007@6.2227907 6.2227907 (922.512, 2300.6377)(923.51227, 1335.9233)(924.52, 4434.5537)(925.5236, 2300.267)(926.5332, 2908.2317)(927.53845, 1562.4099)(928.5518, 4900.09) 9 921.5007 921.5007@6.2227907 + 723.4156@6.30891 6.30891 (724.41943, 4287.4136)(725.42194, 2438.8901)(741.451, 2477.33) 3 723.4156 723.4156@6.30891 + 883.5884@6.2981157 6.2981157 (884.5956, 3456.9697)(885.59827, 1836.755)(886.6055, 816.49) 4 883.5884 883.5884@6.2981157 + 811.5117@6.309588 6.309588 (812.519, 2999.39)(813.5282, 1151.86)(814.5375, 2283.98)(815.5482, 963.33)(816.5521, 1387.96) 1 811.5117 811.5117@6.309588 + 987.4938@6.2495284 6.2495284 (988.50275, 1654.2649)(989.5055, 964.935)(990.51385, 933.275)(991.5107, 598.09)(970.4959, 899.17) 2 987.4938 987.4938@6.2495284 + 937.498@6.217818 6.217818 (938.50494, 2144.0183)(939.5062, 1311.5345)(940.5154, 3219.4001)(941.5167, 2086.81)(942.52795, 2195.8337)(955.522, 1006.96) 11 937.498 937.498@6.217818 + 755.4356@6.311588 6.311588 (756.4429, 4444.67)(757.4418, 1728.67) 1 755.4356 755.4356@6.311588 + 603.3525@6.3125877 6.3125877 (604.3598, 1518.05)(605.3797, 839.68)(606.3735, 601.23) 1 603.3525 603.3525@6.3125877 + 707.472@6.347174 6.347174 (708.47845, 12151.8545)(709.4832, 4991.3213)(710.4708, 3192.3647)(711.48065, 582.605)(730.4569, 9134.189)(731.4641, 4170.925)(732.4459, 19980.14)(733.4501, 7923.54) 7 707.472 707.472@6.347174 + 751.507@6.3144107 6.3144107 (752.51447, 2897.0085)(753.5152, 1396.6134)(769.5417, 648.65) 6 751.507 751.507@6.3144107 + 547.256@6.3155885 6.3155885 (548.2635, 1654.33)(570.2443, 777.21) 1 547.256 547.256@6.3155885 + 749.4111@6.3222375 6.3222375 (750.41125, 2376.605)(751.41095, 1082.785)(752.4307, 1678.45) 2 749.4111 749.4111@6.3222375 + 820.4594@6.3459115 6.3459115 (821.4664, 2675.19)(822.47375, 1383.2476)(823.4804, 1414.39) 4 820.4594 820.4594@6.3459115 + 891.624@6.365594 6.365594 (892.6312, 2535.07)(893.6396, 1125.0) 1 891.624 891.624@6.365594 + 723.4791@6.364274 6.364274 (724.4853, 5904.3115)(725.50024, 2698.595)(726.49255, 1870.23) 7 723.4791 723.4791@6.364274 + 145.11@6.3770776 6.3770776 (146.11732, 17899.244)(147.11707, 2246.9631) 3 145.11 145.11@6.3770776 + 894.6479@6.389597 6.389597 (895.6552, 1925.08)(896.6573, 1142.02) 1 894.6479 894.6479@6.389597 + 405.1546@6.3905973 6.3905973 (406.162, 2632.465) 2 405.1546 405.1546@6.3905973 + 683.3822@6.39732 6.39732 (684.3875, 3317.03)(685.3873, 1183.3301) 2 683.3822 683.3822@6.39732 + 865.6145@6.4026074 6.4026074 (866.6204, 4742.027)(867.62524, 2371.9434)(868.625, 1385.3) 6 865.6145 865.6145@6.4026074 + 829.5444@6.412599 6.412599 (830.5516, 115143.82)(831.555, 56551.75)(832.5667, 42162.06) 1 829.5444 829.5444@6.412599 + 617.3704@6.413599 6.413599 (618.3776, 6461.09)(619.3812, 2405.09) 1 617.3704 617.3704@6.413599 + 247.142@6.4155993 6.4155993 (248.1493, 3773.88)(249.1508, 1159.92) 1 247.142 247.142@6.4155993 + 337.0922@6.4175386 6.4175386 (338.0996, 3633.0352)(339.1032, 676.3) 2 337.0922 337.0922@6.4175386 + 673.3962@6.4298077 6.4298077 (674.40295, 3906.6626)(675.4096, 1793.8314)(656.3928, 769.7)(657.4005, 572.28)(658.4027, 1558.46)(691.4314, 708.56)(696.38666, 1935.9033)(697.3929, 949.14) 15 673.3962 673.3962@6.4298077 + 577.3732@6.4803133 6.4803133 (578.37836, 1945.99)(579.3715, 776.95) 2 577.3732 577.3732@6.4803133 + 733.4491@6.4416018 6.4416018 (734.4564, 4582.24)(735.4393, 1430.56) 1 733.4491 733.4491@6.4416018 + 793.5551@6.481232 6.481232 (794.5607, 2519.8125)(795.56195, 1313.9075) 4 793.5551 793.5551@6.481232 + 619.3847@6.4617915 6.4617915 (620.39185, 37885.945)(621.39514, 14238.538)(642.3742, 6994.5)(643.3775, 2916.3677) 9 619.3847 619.3847@6.4617915 + 819.5652@6.430798 6.430798 (820.5696, 2054.21)(821.5736, 1073.115)(822.5858, 4677.56) 2 819.5652 819.5652@6.430798 + 247.142@6.4573126 6.4573126 (248.14926, 3332.185)(249.15198, 844.216)(250.1452, 941.81) 8 247.142 247.142@6.4573126 + 200.0799@6.469184 6.469184 (201.08734, 4048.1746)(202.08984, 1007.485)(183.0782, 2269.93)(223.06935, 1490.1967) 9 200.0799 200.0799@6.469184 + 695.3804@6.476467 6.476467 (696.3887, 2785.1165)(697.3903, 1072.6566) 3 695.3804 695.3804@6.476467 + C20 H39 N23 O 6.491937 [ C20 H39 N23 O, mfg=74.79, overall=74.79 ] (618.3763, 8305.496)(619.3797, 2840.073)(635.4083, 1196.56)(640.3591, 6701.53)(641.3647, 2551.47) 10 617.3694 C20 H39 N23 O + 865.6128@6.488169 6.488169 (866.62036, 4170.888)(867.625, 2166.2217)(868.62445, 1421.0233) 6 865.6128 865.6128@6.488169 + 761.4755@6.4932494 6.4932494 (762.4806, 5573.13)(763.48535, 2181.885)(764.4655, 668.15)(784.4676, 3921.8)(785.4689, 1557.53)(786.484, 1616.17) 2 761.4755 761.4755@6.4932494 + 411.298@6.4954166 6.4954166 (412.30518, 3245.6064)(413.30655, 1699.5167) 13 411.298 411.298@6.4954166 + 645.3478@6.493311 6.493311 (646.3539, 2619.88)(647.35645, 1159.71) 2 645.3478 645.3478@6.493311 + 631.3261@6.5057793 6.5057793 (632.3333, 3351.8132)(633.3368, 1309.142) 6 631.3261 631.3261@6.5057793 + 669.4283@6.5693398 6.5693398 (670.4283, 3926.1035)(671.4328, 1578.12)(672.4091, 1569.93)(652.425, 25192.47)(653.4285, 8546.24)(654.4212, 2718.45)(655.4101, 436.42) 6 669.4283 669.4283@6.5693398 + 826.6546@6.521608 6.521608 (827.6618, 1117.59)(828.6588, 940.94) 1 826.6546 826.6546@6.521608 + 527.2874@6.526644 6.526644 (528.2939, 2930.4434)(529.29584, 874.9634)(550.27673, 1351.24) 3 527.2874 527.2874@6.526644 + 679.4078@6.541609 6.541609 (680.415, 4814.59)(681.418, 2076.15)(682.3954, 1445.95) 1 679.4078 679.4078@6.541609 + 841.5123@6.623397 6.623397 (842.5108, 2937.18)(843.5154, 1165.495)(844.5181, 1085.4) 2 841.5123 841.5123@6.623397 + 597.3791@6.553385 6.553385 (598.38605, 1825.865) 2 597.3791 597.3791@6.553385 + 992.5268@6.56861 6.56861 (993.534, 725.32)(994.5321, 433.32) 1 992.5268 992.5268@6.56861 + 669.3233@6.566099 6.566099 (670.33057, 2910.9346)(671.33417, 1016.21655)(672.342, 853.72) 9 669.3233 669.3233@6.566099 + 617.3099@6.5634336 6.5634336 (618.3175, 4202.756)(619.3213, 1485.645) 5 617.3099 617.3099@6.5634336 + 683.4@6.566948 6.566948 (684.4085, 4132.3813)(685.4125, 2255.9526)(686.4039, 2294.74)(666.39984, 4128.58) 6 683.4 683.4@6.566948 + 379.139@6.572399 6.572399 (380.14664, 3467.95)(381.1499, 1003.89)(402.128, 953.93) 4 379.139 379.139@6.572399 + 755.4351@6.600967 6.600967 (756.44147, 6022.0435)(757.44366, 2293.3267)(758.4561, 10405.58)(759.459, 4707.55)(760.4684, 5045.5)(761.4723, 1079.63) 3 755.4351 755.4351@6.600967 + 563.3927@6.587611 6.587611 (564.4, 3729.41)(565.4028, 1658.36)(566.4121, 3009.02) 1 563.3927 563.3927@6.587611 + 799.4372@6.6748333 6.6748333 (800.444, 1648.25)(801.45087, 1000.94995)(802.4474, 1037.505) 4 799.4372 799.4372@6.6748333 + 735.4596@6.5996118 6.5996118 (736.4669, 10070.48)(737.4649, 3979.23) 1 735.4596 735.4596@6.5996118 + 686.4278@6.6016555 6.6016555 (687.4333, 3615.2786)(688.4333, 1688.5033)(689.438, 571.56)(709.4187, 5076.46)(710.4249, 1059.62) 7 686.4278 686.4278@6.6016555 + 742.3774@6.615612 6.615612 (743.3847, 4680.87) 1 742.3774 742.3774@6.615612 + 1007.5198@6.645228 6.645228 (1008.53156, 723.02997)(1009.5489, 699.63)(990.51776, 1251.79)(991.516, 812.44995)(992.5345, 646.64) 3 1007.5198 1007.5198@6.645228 + 675.5387@6.6164737 6.6164737 (676.5458, 3344.8699)(677.5493, 1606.88) 2 675.5387 675.5387@6.6164737 + 587.35@6.633877 6.633877 (588.3568, 4659.11)(589.3566, 1736.0)(590.3604, 816.16) 2 587.35 587.35@6.633877 + 724.5485@6.7261834 6.7261834 (725.55585, 15742.694)(726.55804, 6896.28)(727.5645, 5354.9)(728.5739, 1865.09) 3 724.5485 724.5485@6.7261834 + 595.4331@6.6266127 6.6266127 (596.4404, 2667.42)(597.4387, 1037.08) 1 595.4331 595.4331@6.6266127 + 716.5484@6.6329436 6.6329436 (717.55634, 2218.8)(718.5636, 1101.446)(719.5686, 1571.87) 5 716.5484 716.5484@6.6329436 + 679.4079@6.64824 6.64824 (680.4149, 6980.1953)(681.4072, 1201.71)(682.4271, 994.57)(702.3993, 3175.32)(703.4035, 1193.48)(704.4137, 7030.98)(705.4187, 3918.16) 2 679.4079 679.4079@6.64824 + 950.6257@6.6336126 6.6336126 (951.633, 1617.13)(952.6433, 1039.97) 1 950.6257 950.6257@6.6336126 + 627.4216@6.6508007 6.6508007 (628.42926, 6182.9336)(629.43427, 2300.6467)(630.4455, 4339.8237)(631.4487, 1231.515)(632.4522, 596.3) 3 627.4216 627.4216@6.6508007 + 674.3982@6.637613 6.637613 (675.4055, 3830.0)(676.4096, 1813.5)(677.413, 1033.07) 1 674.3982 674.3982@6.637613 + 1144.6678@6.7318544 6.7318544 (1145.6755, 1900.718)(1146.6785, 1470.188)(1147.6779, 1243.775)(1127.6755, 1945.095)(1128.6818, 1525.09)(1129.6831, 1660.79) 5 1144.6678 1144.6678@6.7318544 + 663.4903@6.6396127 6.6396127 (664.4976, 1830.24)(665.5038, 864.74) 1 663.4903 663.4903@6.6396127 + 655.3481@6.656295 6.656295 (656.3555, 2554.454)(657.3534, 1266.296)(658.37024, 10006.641)(659.3727, 3287.68) 5 655.3481 655.3481@6.656295 + 691.3683@6.651926 6.651926 (692.37494, 4950.207)(693.3769, 1801.7251)(709.4084, 2532.61) 3 691.3683 691.3683@6.651926 + 526.4647@6.655613 6.655613 (527.472, 1569.51) 1 526.4647 526.4647@6.655613 + 582.4199@6.6516795 6.6516795 (583.42706, 7574.681)(584.42896, 1758.8624)(585.4278, 1445.43) 12 582.4199 582.4199@6.6516795 + 695.4034@6.6628585 6.6628585 (696.41077, 3677.11)(697.41846, 2180.83)(698.4138, 1218.9724) 5 695.4034 695.4034@6.6628585 + 591.4248@6.658613 6.658613 (592.4321, 5595.48)(593.4382, 1737.31) 1 591.4248 591.4248@6.658613 + 849.5742@6.661613 6.661613 (850.5815, 3699.42)(851.5782, 1617.61)(852.5875, 2383.81) 1 849.5742 849.5742@6.661613 + 895.6196@6.661613 6.661613 (896.6269, 2095.04)(897.6334, 2411.89)(898.6363, 1426.53) 1 895.6196 895.6196@6.661613 + 765.4454@6.716963 6.716963 (766.4475, 2765.9924)(767.45197, 1530.3075)(768.45355, 2017.1666)(769.44165, 1318.335)(770.4263, 1705.31) 4 765.4454 765.4454@6.716963 + 1245.8947@6.662613 6.662613 (1246.9019, 2697.91)(1247.9043, 1944.81)(1248.919, 3167.43)(1249.92, 1835.41)(1250.9253, 655.99) 1 1245.8947 1245.8947@6.662613 + 937.6228@6.662613 6.662613 (938.6301, 1244.84)(939.6464, 1369.7)(940.6509, 1123.72) 1 937.6228 937.6228@6.662613 + 635.4506@6.7030497 6.7030497 (636.45667, 3893.49)(637.4673, 2125.33)(638.466, 800.21) 2 635.4506 635.4506@6.7030497 + 632.3496@6.663613 6.663613 (633.3569, 22820.51) 1 632.3496 632.3496@6.663613 + 1330.9323@6.665613 6.665613 (1331.9395, 1328.3)(1332.9456, 999.81)(1333.9575, 1298.41) 1 1330.9323 1330.9323@6.665613 + 597.3783@6.6611643 6.6611643 (598.38513, 3927.9583)(599.38806, 1503.948)(600.3983, 5921.9443)(601.4011, 1609.4)(602.4072, 7704.49)(603.4123, 2135.64)(604.4278, 1996.8)(605.4255, 461.15)(620.3683, 1407.91)(621.379, 725.32)(622.3793, 2153.15) 10 597.3783 597.3783@6.6611643 + 593.4412@6.6872573 6.6872573 (594.44727, 5061.428)(595.4501, 1889.4215)(596.4421, 4305.4365)(597.4402, 2108.825)(616.4325, 1886.6849)(617.435, 1044.65) 6 593.4412 593.4412@6.6872573 + 820.5305@6.669613 6.669613 (821.5378, 2420.61) 1 820.5305 820.5305@6.669613 + 1250.775@6.6706133 6.6706133 (1251.7823, 930.12)(1252.7654, 812.58)(1253.7828, 775.31) 1 1250.775 1250.775@6.6706133 + 365.1232@6.66946 6.66946 (366.13074, 6645.165)(367.135, 1002.04) 2 365.1232 365.1232@6.66946 + 820.0316@6.7142596 6.7142596 (821.03955, 2163.7866)(822.04596, 1627.31) 3 820.0316 820.0316@6.7142596 + 637.4759@6.6796136 6.6796136 (638.4831, 3069.05)(639.4865, 1225.58) 1 637.4759 637.4759@6.6796136 + 828.0042@6.6806135 6.6806135 (829.0115, 3395.29)(830.0153, 2047.92) 1 828.0042 828.0042@6.6806135 + 1122.7524@6.6826134 6.6826134 (1123.7596, 2725.25)(1124.7631, 1625.58)(1125.7742, 2313.95)(1126.7792, 1261.56) 1 1122.7524 1122.7524@6.6826134 + 1073.7429@6.683614 6.683614 (1074.7502, 2093.74)(1075.7622, 2366.72)(1076.7646, 1252.87) 1 1073.7429 1073.7429@6.683614 + 718.5618@6.693077 6.693077 (719.5681, 2220.3)(720.586, 2019.87)(721.5883, 2557.49) 2 718.5618 718.5618@6.693077 + 610.4514@6.6946135 6.6946135 (611.4587, 8232.64)(612.462, 1582.36) 1 610.4514 610.4514@6.6946135 + 461.3628@6.7026134 6.7026134 (462.3701, 3080.47) 1 461.3628 461.3628@6.7026134 + 1099.7565@6.7046137 6.7046137 (1100.7635, 1545.76)(1101.7769, 1855.94)(1102.7806, 1372.11)(1122.7458, 2359.46) 1 1099.7565 1099.7565@6.7046137 + 864.9939@6.747552 6.747552 (866.0095, 1772.505)(867.01434, 1463.2949)(868.0161, 1691.51) 2 864.9939 864.9939@6.747552 + 773.4487@6.7066135 6.7066135 (774.456, 2252.58)(775.4529, 576.72) 1 773.4487 773.4487@6.7066135 + 873.4811@6.7012305 6.7012305 (874.4941, 3845.9531)(875.50275, 1771.3099)(856.4712, 1502.17) 3 873.4811 873.4811@6.7012305 + 1109.6492@6.707394 6.707394 (1110.6565, 60295.79)(1111.665, 45977.742)(1112.6713, 22785.324) 2 1109.6492 1109.6492@6.707394 + 1124.1704@6.7086134 6.7086134 (1125.1777, 1561.07) 1 1124.1704 1124.1704@6.7086134 + 529.3149@6.7096133 6.7096133 (530.3221, 7478.84)(531.326, 2343.85) 1 529.3149 529.3149@6.7096133 + 1028.6772@6.7096133 6.7096133 (1029.6844, 2870.72)(1030.691, 1770.6)(1031.7012, 1405.51) 1 1028.6772 1028.6772@6.7096133 + 1124.6663@6.739558 6.739558 (1125.6674, 2086.885)(1126.6731, 1717.28)(1147.6631, 1013.88)(1148.6486, 1030.57) 2 1124.6663 1124.6663@6.739558 + 1130.6473@6.7145395 6.7145395 (1131.6572, 1856.53)(1132.6666, 1538.8301)(1133.6545, 11332.425)(1134.6594, 4481.89)(1135.6711, 19610.92) 2 1130.6473 1130.6473@6.7145395 + 559.3606@6.6814804 6.6814804 (1141.7052, 1059.82)(1142.6971, 890.12)(560.3671, 21880.389)(561.3713, 6858.2095)(562.3709, 3630.81)(563.3783, 722.3) 14 559.3606 559.3606@6.6814804 + 1083.6495@6.7156134 6.7156134 (1084.656, 1640.91)(1101.6835, 4797.78)(1102.6873, 3988.92)(1103.6992, 4699.37) 1 1083.6495 1083.6495@6.7156134 + 1165.6942@6.716614 6.716614 (1166.7015, 1671.45)(1167.7113, 1354.25)(1168.6967, 1064.24) 1 1165.6942 1165.6942@6.716614 + 1093.711@6.720192 6.720192 (1094.7166, 9290.01)(1095.7236, 7102.4697)(1096.7251, 3870.35)(1116.699, 3192.17)(1117.7119, 3519.01)(1118.7057, 1945.9) 2 1093.711 1093.711@6.720192 + 822.0039@6.725747 6.725747 (823.0043, 1650.995)(823.9962, 1263.2975)(825.0076, 1110.1) 4 822.0039 822.0039@6.725747 + 1070.1711@6.7186136 6.7186136 (1071.1783, 1641.57)(1072.1726, 894.11)(1073.1914, 1509.18) 1 1070.1711 1070.1711@6.7186136 + 1107.1606@6.7367077 6.7367077 (1108.1656, 1589.0133)(1109.1738, 1262.885)(1110.1886, 1618.5) 3 1107.1606 1107.1606@6.7367077 + 1347.3375@6.73512 6.73512 (1348.3452, 2208.21)(1349.3524, 2353.555)(1350.358, 2521.1025)(1365.377, 1116.3301) 4 1347.3375 1347.3375@6.73512 + 1083.7219@6.734426 6.734426 (1084.7311, 5090.1997)(1085.739, 4049.26) 3 1083.7219 1083.7219@6.734426 + 1073.737@6.7310495 6.7310495 (1074.7402, 2382.636)(1075.759, 1414.145)(1076.7594, 1322.15)(1096.724, 2219.6333)(1097.7408, 2766.173)(1098.7443, 1666.2067) 5 1073.737 1073.737@6.7310495 + 1337.3488@6.743828 6.743828 (1338.3608, 2992.7334)(1339.3674, 3184.5151)(1340.3738, 4286.165)(1341.3792, 4791.7197)(1342.3844, 2928.35)(1360.343, 1557.69)(1361.3516, 1706.79)(1362.3533, 1456.97) 3 1337.3488 1337.3488@6.743828 + 1090.185@6.7372437 6.7372437 (1091.1924, 5132.618)(1092.1995, 3783.216)(1093.1982, 1739.1119)(1113.1837, 1653.65) 5 1090.185 1090.185@6.7372437 + 1146.7405@6.7386866 6.7386866 (1147.7444, 2804.9324)(1148.748, 1816.2725)(1169.7279, 2715.392)(1170.7244, 1849.18)(1171.7227, 1164.1825) 8 1146.7405 1146.7405@6.7386866 + 1612.0385@6.744725 6.744725 (1613.0452, 3637.5378)(1614.0497, 3093.886)(1615.0562, 2548.8525)(1616.0592, 1111.2067) 5 1612.0385 1612.0385@6.744725 + 1341.3784@6.748554 6.748554 (1342.385, 5120.9604)(1343.389, 2418.6501) 3 1341.3784 1341.3784@6.748554 + 1340.3721@6.748766 6.748766 (1341.3789, 7406.0757)(1342.3844, 6214.348)(1343.3905, 2681.192)(1344.3895, 325.32) 6 1340.3721 1340.3721@6.748766 + 1330.89@6.7528353 6.7528353 (1331.8969, 12967.922)(1332.9009, 5444.2563) 4 1330.89 1330.89@6.7528353 + 1591.5614@6.761613 6.761613 (1592.5687, 5463.05)(1593.5789, 5448.71)(1594.583, 2171.42) 1 1591.5614 1591.5614@6.761613 + 1568.0704@6.7626133 6.7626133 (1569.0778, 4581.38)(1570.0818, 3567.52)(1571.0948, 5073.13)(1572.0969, 3461.16)(1573.1003, 1249.03)(1591.0596, 13193.4)(1592.0652, 11295.73)(1593.0754, 14945.75)(1594.0804, 10069.89)(1595.0833, 4272.81)(1596.087, 685.46) 1 1568.0704 1568.0704@6.7626133 + 529.8624@6.767613 6.767613 (530.8697, 2538.85) 1 529.8624 529.8624@6.767613 + 1327.8674@6.765044 6.765044 (1328.8746, 7270.8115)(1329.8815, 9769.457)(1330.8899, 10407.995) 10 1327.8674 1327.8674@6.765044 + 619.3486@6.682009 6.682009 (620.3602, 2945.122)(621.3657, 1151.396)(622.3835, 1163.87)(637.3918, 1298.43) 5 619.3486 619.3486@6.682009 + 1532.4792@6.8186283 6.8186283 (1533.4867, 6215.133)(1534.4918, 3448.3633)(1535.497, 1393.88) 3 1532.4792 1532.4792@6.8186283 + 1510.9956@6.8240013 6.8240013 (1512.0022, 6468.055)(1513.0077, 3519.87) 2 1510.9956 1510.9956@6.8240013 + 990.6644@6.8376107 6.8376107 (991.6717, 1776373.4)(992.6751, 912326.4)(993.6783, 291574.0)(994.6804, 66381.77)(995.6833, 12558.53)(996.6843, 1386.18) 1 990.6644 990.6644@6.8376107 + 535.2906@6.8879986 6.8879986 (536.2975, 5658.983)(537.3002, 1546.015)(538.31274, 1943.145) 6 535.2906 535.2906@6.8879986 + 1023.6383@6.844238 6.844238 (1024.6461, 3853.071)(1041.6722, 5348.096)(1042.6602, 4298.525)(1043.6538, 2335.68) 7 1023.6383 1023.6383@6.844238 + 1026.6628@6.8169017 6.8169017 (1027.6664, 8977.78)(1028.672, 4074.3333)(1029.6864, 21158.977)(1030.6901, 11250.32)(1031.7009, 9392.76)(1049.6547, 22120.84)(1050.6584, 21449.21)(1051.6688, 28169.6)(1052.6738, 18071.17) 3 1026.6628 1026.6628@6.8169017 + 976.6494@6.855549 6.855549 (977.6556, 5527.809)(978.6589, 3471.4822)(979.6615, 2921.1401)(999.6403, 9323.62)(1000.64276, 5004.8096)(1001.64984, 2228.2986) 17 976.6494 976.6494@6.855549 + 563.3209@6.841678 6.841678 (564.32764, 4263.72)(565.33075, 2553.75)(586.3106, 18379.186)(587.3139, 5268.523)(588.3127, 1555.134) 8 563.3209 563.3209@6.841678 + 1072.6519@6.7926035 6.7926035 (1073.6644, 2889.8257)(1074.6703, 2553.7769)(1075.6776, 4401.123)(1076.6825, 4891.94) 7 1072.6519 1072.6519@6.7926035 + 1079.6615@6.801975 6.801975 (1080.6578, 2975.2598)(1081.6686, 4786.825)(1082.6837, 5659.79) 6 1079.6615 1079.6615@6.801975 + 1074.6324@6.867609 6.867609 (1075.644, 1917.6)(1076.6353, 1186.88)(1077.6469, 3064.07)(1078.648, 2319.94)(1079.653, 2740.31)(1092.6635, 2069.47) 1 1074.6324 1074.6324@6.867609 + 758.4738@6.8686094 6.8686094 (759.4811, 3735.91)(760.4699, 1721.89) 1 758.4738 758.4738@6.8686094 + 1073.6714@6.805374 6.805374 (1074.6716, 3333.237)(1075.6774, 1972.1635)(1076.6709, 1941.245)(1056.6482, 2788.13)(1057.648, 1469.95)(1096.6516, 1679.2) 7 1073.6714 1073.6714@6.805374 + 531.2928@6.861117 6.861117 (532.2965, 9975.073)(533.3003, 3163.123) 6 531.2928 531.2928@6.861117 + 1047.6565@6.8583717 6.8583717 (1048.6611, 10602.29)(1049.6697, 4977.955)(1050.6681, 2367.0) 2 1047.6565 1047.6565@6.8583717 + 1061.6497@6.8102064 6.8102064 (1062.6543, 75597.28)(1063.6621, 79949.33)(1064.6722, 54458.61) 4 1061.6497 1061.6497@6.8102064 + 974.6342@6.873609 6.873609 (975.6407, 5193.42)(976.6435, 3161.1)(997.6239, 5873.01)(998.6243, 3325.33) 1 974.6342 974.6342@6.873609 + 1196.7213@6.8140616 6.8140616 (1197.731, 1704.7351)(1198.7288, 1403.01)(1199.7408, 3424.98)(1200.744, 2763.64)(1201.747, 699.59) 2 1196.7213 1196.7213@6.8140616 + 1044.6376@6.8672457 6.8672457 (1045.6448, 3114.918)(1046.6462, 2144.856)(1067.6274, 5578.78)(1068.6332, 3704.3235) 5 1044.6376 1044.6376@6.8672457 + 1100.6373@6.866312 6.866312 (1101.6389, 2150.0151)(1102.6409, 1606.755) 2 1100.6373 1100.6373@6.866312 + 555.3503@6.860575 6.860575 (556.3546, 13230.054)(557.3579, 3437.1538)(558.36224, 1564.685)(538.3482, 6557.25)(539.3521, 1922.86)(578.3397, 9628.99) 7 555.3503 555.3503@6.860575 + 1050.6613@6.7782493 6.7782493 (1051.6656, 11750.936)(1052.6741, 8907.519)(1053.6808, 17407.44)(1054.6888, 9729.58)(1055.6993, 18467.2)(1033.6431, 3537.38)(1034.6451, 3110.2)(1073.6552, 7625.92)(1074.6589, 6080.17)(1075.6693, 8746.01)(1076.6761, 6691.47)(1077.6844, 5673.83) 8 1050.6613 1050.6613@6.7782493 + 785.9672@6.8786087 6.8786087 (786.9744, 2712.69)(787.9839, 1726.31) 1 785.9672 785.9672@6.8786087 + 535.3271@6.948871 6.948871 (1093.6433, 4947.76)(1094.645, 3655.07)(1095.654, 3142.56)(536.3335, 41598.05)(537.3378, 13333.678)(538.3484, 8945.715)(539.3521, 4575.15)(518.3242, 734.18)(558.3175, 5485.6685)(559.3211, 1868.1315) 14 535.3271 535.3271@6.948871 + 820.9712@6.87274 6.87274 (821.9777, 3614.218)(822.98236, 2243.199)(823.986, 1050.2849) 11 820.9712 820.9712@6.87274 + 608.3162@6.886608 6.886608 (609.3234, 6145.44) 1 608.3162 608.3162@6.886608 + 879.5363@6.8876085 6.8876085 (880.5436, 2240.02)(881.5493, 1193.48) 1 879.5363 879.5363@6.8876085 + 821.4729@6.8735857 6.8735857 (822.47974, 3928.351)(823.48206, 1761.5288)(824.47003, 1415.3601)(804.4662, 1446.03)(805.4825, 1276.75)(806.4801, 2731.39)(807.484, 1633.42)(808.4801, 981.49) 9 821.4729 821.4729@6.8735857 + 479.301@6.8856864 6.8856864 (480.3077, 2995.4167)(481.30823, 890.5933) 3 479.301 479.301@6.8856864 + 718.4226@6.87908 6.87908 (719.43024, 5874.7275)(720.43243, 1755.9475)(721.43085, 1317.5901) 4 718.4226 718.4226@6.87908 + 704.4074@6.8848777 6.8848777 (705.41516, 9597.455)(706.4197, 3234.3599)(707.4237, 1902.5149) 2 704.4074 704.4074@6.8848777 + 1156.6298@6.8870378 6.8870378 (1157.6306, 1700.56)(1158.6353, 1014.845)(1159.6423, 685.53) 2 1156.6298 1156.6298@6.8870378 + 827.3876@6.8914027 6.8914027 (828.39746, 6282.175)(829.3993, 2672.165)(830.4014, 1367.31)(831.4122, 1126.36) 2 827.3876 827.3876@6.8914027 + 799.6212@6.8936076 6.8936076 (800.6285, 1562.81)(801.6232, 960.28) 1 799.6212 799.6212@6.8936076 + 883.5113@6.8936076 6.8936076 (884.5186, 1818.27)(885.5214, 1089.94)(886.536, 2428.19)(887.5379, 1447.75) 1 883.5113 883.5113@6.8936076 + 965.5125@6.894608 6.894608 (966.5207, 1488.88)(967.5307, 946.4)(968.5364, 1506.19)(969.5421, 738.33)(948.5081, 1511.97)(949.5152, 873.95)(950.5247, 2439.3)(951.5277, 1365.72)(952.545, 2349.73)(988.5017, 861.26) 1 965.5125 965.5125@6.894608 + 699.3761@6.894608 6.894608 (700.3834, 2745.02)(701.3856, 1238.77) 1 699.3761 699.3761@6.894608 + 501.2866@6.895608 6.895608 (502.2939, 1849.85) 1 501.2866 501.2866@6.895608 + 1226.693@6.889586 6.889586 (1227.7012, 1834.45)(1228.7051, 1241.585)(1229.7123, 863.19) 2 1226.693 1226.693@6.889586 + 1240.7083@6.8986073 6.8986073 (1241.7155, 2384.19)(1242.7181, 1634.68)(1243.7272, 895.4) 1 1240.7083 1240.7083@6.8986073 + 825.4607@6.8986073 6.8986073 (826.468, 1472.89)(827.4727, 1134.38)(828.4709, 2276.29) 1 825.4607 825.4607@6.8986073 + 761.4419@6.8986073 6.8986073 (762.4476, 2276.42)(763.4539, 2103.56)(744.4402, 1857.33)(745.4491, 1039.69)(746.4256, 5176.64)(747.4253, 2063.31)(748.4376, 2707.79) 1 761.4419 761.4419@6.8986073 + 1080.6698@6.895414 6.895414 (1081.6779, 2796.5166)(1082.6796, 1669.7067)(1083.6896, 2407.4333)(1084.6832, 988.8633)(1085.6985, 997.65) 3 1080.6698 1080.6698@6.895414 + 783.4345@6.899607 6.899607 (784.4418, 2084.23)(785.4598, 1388.73)(786.4482, 2134.21) 1 783.4345 783.4345@6.899607 + 647.3071@6.899607 6.899607 (648.313, 1425.32)(630.304, 9263.32)(631.3097, 3246.49)(670.2969, 1018.51) 1 647.3071 647.3071@6.899607 + 823.5573@6.899607 6.899607 (824.5645, 2722.93)(825.5662, 1422.25)(826.5708, 1219.12) 1 823.5573 823.5573@6.899607 + 756.6133@6.905347 6.905347 (757.6211, 1814.835)(758.62146, 1215.315)(759.6257, 669.59)(779.6018, 833.4) 2 756.6133 756.6133@6.905347 + 639.4055@6.8752766 6.8752766 (640.4186, 2905.49)(641.4232, 1237.78) 2 639.4055 639.4055@6.8752766 + 738.3043@6.8930945 6.8930945 (739.31226, 1460.264)(740.3211, 619.3133) 5 738.3043 738.3043@6.8930945 + 829.465@6.9016075 6.9016075 (830.4723, 1845.73)(831.4695, 1030.43) 1 829.465 829.465@6.9016075 + 691.3487@6.9016075 6.9016075 (692.356, 3598.25)(693.3557, 1682.7) 1 691.3487 691.3487@6.9016075 + 661.393@6.898381 6.898381 (662.40015, 2440.465)(663.4059, 949.61)(664.3813, 819.22) 2 661.393 661.393@6.898381 + 623.3793@6.8969 6.8969 (624.38696, 3298.775)(625.39, 1787.675)(626.38257, 1373.57)(646.3684, 3152.6)(647.3827, 1386.92)(648.386, 1190.76) 2 623.3793 623.3793@6.8969 + 621.287@6.8974 6.8974 (622.2943, 2251.385)(623.30176, 1012.745) 2 621.287 621.287@6.8974 + 731.408@6.905607 6.905607 (732.4145, 4458.27)(733.4194, 1959.61)(734.4225, 3518.95)(735.419, 571.85)(749.4441, 2171.67) 1 731.408 731.408@6.905607 + 597.4107@6.903799 6.903799 (598.41736, 1802.9099)(599.4164, 1456.4) 2 597.4107 597.4107@6.903799 + 645.2799@6.9126067 6.9126067 (646.2872, 1218.47) 1 645.2799 645.2799@6.9126067 + 121.0737@6.9156065 6.9156065 (122.0804, 3132.19)(104.0706, 7905.17) 1 121.0737 121.0737@6.9156065 + 581.3105@6.9133334 6.9133334 (582.31696, 8235.479)(583.3209, 2945.1758)(584.3285, 6857.78)(585.3302, 777.28)(586.3417, 892.2)(604.3005, 3033.5684)(605.3041, 1301.9775) 17 581.3105 581.3105@6.9133334 + 563.356@6.8910704 6.8910704 (564.3621, 3960.0098)(565.36523, 2161.585)(566.3778, 2039.6599)(546.35284, 6215.8164)(547.35657, 2162.1765)(548.3663, 1028.8) 5 563.356 563.356@6.8910704 + 493.3501@6.944257 6.944257 (494.35675, 2951.25)(495.3606, 1211.17) 2 493.3501 493.3501@6.944257 + 598.4307@6.968602 6.968602 (599.4377, 4842.24)(600.442, 1656.06)(621.4206, 1981.45) 1 598.4307 598.4307@6.968602 + 219.0037@6.970602 6.970602 (220.011, 1990.95) 1 219.0037 219.0037@6.970602 + C39 H67 N3 O6 S2 6.970114 [ C39 H67 N3 O6 S2, mfg=91.59, overall=91.59 ] (738.454, 4438.3643)(739.4584, 2023.8551)(740.4581, 927.33) 10 737.4464 C39 H67 N3 O6 S2 + 501.3201@7.0035987 7.0035987 (502.3274, 2411.06)(503.3327, 794.43) 1 501.3201 501.3201@7.0035987 + 649.3624@7.014598 7.014598 (650.3697, 1276.01)(651.3764, 725.25) 1 649.3624 649.3624@7.014598 + 625.2853@6.9448333 6.9448333 (626.2878, 1938.3467)(627.3041, 1064.585)(628.2896, 1181.78) 3 625.2853 625.2853@6.9448333 + 299.077@7.020294 7.020294 (300.08447, 8383.65)(301.08838, 1254.7032)(322.0658, 1179.55) 4 299.077 299.077@7.020294 + 600.3251@7.0206094 7.0206094 (601.3327, 1717.13)(602.3353, 870.7) 2 600.3251 600.3251@7.0206094 + 591.3607@7.0222044 7.0222044 (592.3689, 2197.6226)(593.37024, 1020.4525)(594.3788, 1189.555) 4 591.3607 591.3607@7.0222044 + 745.4154@7.0145493 7.0145493 (746.42456, 3628.78)(747.4318, 1598.3734)(748.43933, 2083.39) 3 745.4154 745.4154@7.0145493 + 540.3602@7.0315957 7.0315957 (541.3675, 2872.32)(542.3693, 1413.28) 1 540.3602 540.3602@7.0315957 + 451.3053@7.031163 7.031163 (452.3121, 2065.965)(453.3142, 991.02)(474.2955, 964.43) 2 451.3053 451.3053@7.031163 + 639.3749@7.0470915 7.0470915 (640.3824, 3359.2856)(641.3853, 1206.6901)(642.3901, 774.42004) 7 639.3749 639.3749@7.0470915 + 549.3061@7.0841556 7.0841556 (550.31323, 54522.37)(551.31714, 19917.783)(532.301, 1869.15)(572.2954, 7966.712)(573.30066, 2547.882)(574.2992, 11145.31)(575.3016, 3081.71) 6 549.3061 549.3061@7.0841556 + 579.2937@7.070591 7.070591 (580.3009, 5312.65)(581.3081, 1723.75) 1 579.2937 579.2937@7.070591 + 657.2375@7.0755906 7.0755906 (658.2448, 1788.41)(659.2428, 807.08)(660.2442, 1455.42) 1 657.2375 657.2375@7.0755906 + 593.3785@7.0755906 7.0755906 (594.3857, 9388.98)(595.3877, 3468.14)(596.3885, 1804.31) 1 593.3785 593.3785@7.0755906 + 531.2959@7.1004167 7.1004167 (532.30255, 2834.7964)(533.3047, 1264.05) 8 531.2959 531.2959@7.1004167 + 579.2932@7.129583 7.129583 (580.3005, 11824.61)(581.303, 3493.67) 1 579.2932 579.2932@7.129583 + 820.4525@7.136582 7.136582 (821.4551, 1158.92)(803.4521, 1523.48) 1 820.4525 820.4525@7.136582 + 602.3363@7.141581 7.141581 (603.3436, 2128.53)(604.3504, 1063.37) 1 602.3363 602.3363@7.141581 + 691.4531@7.1349306 7.1349306 (692.45874, 3661.5498)(693.4643, 1642.4299) 2 691.4531 691.4531@7.1349306 + 958.5204@7.141581 7.141581 (959.5277, 1057.53)(960.5405, 1237.44) 1 958.5204 958.5204@7.141581 + 797.4535@7.143581 7.143581 (798.4607, 3476.26)(799.4627, 1831.97)(800.4615, 2125.01)(801.4563, 912.46)(802.4481, 2824.1) 1 797.4535 797.4535@7.143581 + 591.3174@7.154304 7.154304 (592.3234, 6014.3804)(593.3262, 3041.78)(594.33545, 1299.105)(614.30695, 12276.887)(615.3099, 3806.4434)(616.3231, 6958.71) 3 591.3174 591.3174@7.154304 + 767.4374@7.144581 7.144581 (768.4447, 2786.55)(769.4464, 1761.23)(770.4533, 3661.49)(771.4578, 1633.76)(772.4423, 2685.28) 1 767.4374 767.4374@7.144581 + 635.2841@7.148423 7.148423 (636.292, 4283.8574)(637.2956, 1643.5475)(638.3049, 5673.3867)(639.30865, 2944.1326)(640.3096, 7958.84)(641.3135, 2153.045)(642.322, 1390.5049) 8 635.2841 635.2841@7.148423 + 813.4596@7.145581 7.145581 (814.4669, 1796.89)(815.4698, 1027.86)(816.4653, 1601.76) 1 813.4596 813.4596@7.145581 + 855.4658@7.145581 7.145581 (856.4731, 986.78)(857.4806, 727.4)(858.4527, 1156.98)(859.4644, 634.99)(860.459, 1441.32) 1 855.4658 855.4658@7.145581 + 539.5903@7.1514177 7.1514177 (540.5971, 2352.445)(541.59717, 935.53503) 4 539.5903 539.5903@7.1514177 + 973.516@7.14758 7.14758 (974.5233, 1555.25)(975.52, 840.21)(976.5349, 1404.75) 1 973.516 973.516@7.14758 + 804.6117@7.14758 7.14758 (805.619, 772.16)(806.619, 675.54)(807.6345, 7751.24) 1 804.6117 804.6117@7.14758 + 773.4393@7.14858 7.14858 (774.4466, 929.59)(775.4509, 770.25)(776.4341, 3468.15)(777.4357, 2315.01)(778.4433, 1392.39) 1 773.4393 773.4393@7.14858 + 752.5795@7.1479216 7.1479216 (753.5867, 1315.06)(754.59265, 983.925) 2 752.5795 752.5795@7.1479216 + 939.5098@7.14958 7.14958 (940.5171, 1175.65)(941.5139, 1078.73)(942.5296, 2565.12)(943.536, 1381.97)(944.5437, 1520.37) 1 939.5098 939.5098@7.14958 + 619.289@7.1505795 7.1505795 (620.2962, 2299.18)(621.3043, 1052.56)(622.3102, 6814.11)(623.3133, 2648.21)(624.3164, 5126.38)(625.3189, 1585.2) 1 619.289 619.289@7.1505795 + 798.6592@7.15158 7.15158 (799.6663, 1082.57)(800.6562, 752.62)(801.6581, 908.22)(821.6486, 1257.84)(822.6486, 1032.99) 1 798.6592 798.6592@7.15158 + 807.629@7.160659 7.160659 (808.6371, 2893.845)(809.6416, 832.79004) 2 807.629 807.629@7.160659 + 594.3051@7.1559315 7.1559315 (595.3137, 2609.0632) 6 594.3051 594.3051@7.1559315 + 647.2614@7.1565785 7.1565785 (648.2687, 1872.21)(649.2726, 839.54)(650.285, 2157.36)(651.2874, 1218.28)(652.2876, 3001.65) 1 647.2614 647.2614@7.1565785 + 665.275@7.148425 7.148425 (666.2794, 1796.4299)(667.3004, 795.42)(668.2839, 2748.68)(669.2921, 726.1)(670.2941, 2887.54) 2 665.275 665.275@7.148425 + 659.2703@7.1816006 7.1816006 (660.27826, 2255.565)(661.2785, 902.19006) 2 659.2703 659.2703@7.1816006 + 565.3004@7.187574 7.187574 (566.3077, 6031.75)(567.3112, 1301.42) 1 565.3004 565.3004@7.187574 + 575.3926@7.187574 7.187574 (576.3999, 2340.34)(577.4001, 1185.61) 1 575.3926 575.3926@7.187574 + 481.185@7.1905737 7.1905737 (482.1923, 1615.51) 1 481.185 481.185@7.1905737 + 665.3922@7.1889253 7.1889253 (666.3983, 2709.3337)(667.4024, 1107.4425)(668.3998, 801.52) 5 665.3922 665.3922@7.1889253 + 413.1449@7.188612 7.188612 (414.1522, 3579.7349)(415.1536, 1170.35)(436.1341, 2998.58)(437.1376, 947.11) 2 413.1449 413.1449@7.188612 + 549.2467@7.190817 7.190817 (550.25366, 3142.105)(551.25653, 1174.075) 2 549.2467 549.2467@7.190817 + 527.2641@7.1936965 7.1936965 (528.2714, 3493.6667)(529.276, 1292.726) 6 527.2641 527.2641@7.1936965 + 449.2179@7.1997404 7.1997404 (450.2246, 2964.4456)(451.22885, 1055.255)(452.23682, 770.26)(472.2063, 1317.45) 7 449.2179 449.2179@7.1997404 + 243.0152@7.20957 7.20957 (244.0224, 2238.38) 1 243.0152 243.0152@7.20957 + 559.2914@7.262939 7.262939 (560.2984, 2504.67)(561.301, 897.6766) 3 559.2914 559.2914@7.262939 + 477.2495@7.2815557 7.2815557 (478.2568, 1248.18) 1 477.2495 477.2495@7.2815557 + 631.3113@7.2253475 7.2253475 (632.3181, 5467.8535)(633.32056, 2333.307)(634.3302, 1797.0973)(654.3009, 4656.67)(655.30383, 1884.6362)(656.3112, 1184.3417) 9 631.3113 631.3113@7.2253475 + 533.3406@7.2371793 7.2371793 (534.34924, 3385.045)(535.3452, 1368.85) 4 533.3406 533.3406@7.2371793 + 779.4543@7.301552 7.301552 (780.4616, 1772.54)(781.4623, 970.07) 1 779.4543 779.4543@7.301552 + 785.4543@7.3025517 7.3025517 (786.4616, 1676.32)(787.461, 1011.9)(788.4707, 935.75) 1 785.4543 785.4543@7.3025517 + 667.2774@7.209206 7.209206 (668.28467, 1917.4667)(669.2859, 907.555)(670.2938, 3079.585)(671.2972, 1139.05)(672.3053, 1364.0701)(650.2783, 1497.59)(651.2842, 763.87)(652.2903, 1565.89) 3 667.2774 667.2774@7.209206 + 735.4435@7.305551 7.305551 (736.4504, 7512.23)(737.4535, 3480.21)(758.4335, 5634.3)(759.4363, 2580.79)(760.4509, 1685.49) 1 735.4435 735.4435@7.305551 + 738.3824@7.30023 7.30023 (739.39056, 1566.7125)(740.404, 947.09)(761.37067, 1608.2367)(762.3811, 788.7767)(763.3842, 1100.245) 4 738.3824 738.3824@7.30023 + 699.2644@7.3065505 7.3065505 (700.2717, 1182.61) 1 699.2644 699.2644@7.3065505 + 576.3241@7.3075504 7.3075504 (577.3313, 2506.84) 1 576.3241 576.3241@7.3075504 + 635.3904@7.31055 7.31055 (636.3976, 4619.35)(637.4036, 1544.67)(638.4012, 876.28) 1 635.3904 635.3904@7.31055 + 487.2329@7.321547 7.321547 (488.2401, 2978.93)(489.2407, 800.51) 1 487.2329 487.2329@7.321547 + 419.1704@7.349732 7.349732 (420.17755, 1802.7) 2 419.1704 419.1704@7.349732 + 621.3757@7.349684 7.349684 (622.384, 3023.9434)(623.38745, 1225.84)(624.38544, 751.49335) 6 621.3757 621.3757@7.349684 + 383.2085@7.3591423 7.3591423 (384.2156, 2709.6934)(385.2291, 1498.39) 3 383.2085 383.2085@7.3591423 + 547.2847@7.3795786 7.3795786 (548.2932, 1693.7251)(549.2979, 617.55) 4 547.2847 547.2847@7.3795786 + 649.3217@7.3332753 7.3332753 (650.3288, 3681.417)(651.33203, 1487.2833)(652.3376, 1460.75) 3 649.3217 649.3217@7.3332753 + 695.4121@7.382533 7.382533 (696.4193, 5198.46)(697.4238, 2654.4)(698.4227, 1141.41) 1 695.4121 695.4121@7.382533 + 735.4454@7.3885317 7.3885317 (736.4527, 4660.86)(737.4568, 2462.98)(738.4646, 5450.02)(739.4686, 1923.72) 1 735.4454 735.4454@7.3885317 + 727.2811@7.3995285 7.3995285 (728.2884, 1283.21)(729.2935, 701.58) 1 727.2811 727.2811@7.3995285 + 517.2441@7.4018054 7.4018054 (518.25104, 2048.1433)(519.2522, 915.45996) 6 517.2441 517.2441@7.4018054 + 419.1709@7.41422 7.41422 (420.178, 3454.8452)(421.18115, 995.83203) 8 419.1709 419.1709@7.41422 + 447.201@7.5563293 7.5563293 (448.20868, 2452.66)(449.2128, 601.97) 4 447.201 447.201@7.5563293 + 709.4285@7.4545145 7.4545145 (710.4357, 7307.95)(711.4382, 3140.28)(712.4391, 1008.6) 1 709.4285 709.4285@7.4545145 + 723.4431@7.4655113 7.4655113 (724.4503, 4636.7)(725.454, 2102.46)(726.4577, 993.02) 1 723.4431 723.4431@7.4655113 + 848.5874@7.4675107 7.4675107 (849.5947, 1633.39)(850.5953, 1207.69) 1 848.5874 848.5874@7.4675107 + 793.4837@7.4795074 7.4795074 (794.4909, 2778.1)(795.4949, 1185.01) 1 793.4837 793.4837@7.4795074 + 373.1131@7.4895043 7.4895043 (374.1204, 2898.0)(396.1023, 803.2) 1 373.1131 373.1131@7.4895043 + 779.468@7.4905043 7.4905043 (780.4753, 1373.7)(781.479, 908.03) 1 779.468 779.468@7.4905043 + 478.3022@7.4952083 7.4952083 (479.30994, 1811.75)(480.3263, 860.53)(496.336, 788.32) 3 478.3022 478.3022@7.4952083 + 463.2328@7.504727 7.504727 (464.23996, 4831.18)(465.24338, 1349.8033) 6 463.2328 463.2328@7.504727 + 553.3376@7.5061026 7.5061026 (554.3444, 4240.2075)(555.3489, 1407.87)(556.3538, 895.01) 9 553.3376 553.3376@7.5061026 + 719.4005@7.5024295 7.5024295 (720.4086, 3171.6907)(721.4127, 1391.508)(722.4214, 890.505) 11 719.4005 719.4005@7.5024295 + 695.4123@7.5288353 7.5288353 (696.4197, 8800.167)(697.42413, 3482.6335)(698.4257, 1795.47) 3 695.4123 695.4123@7.5288353 + 765.4536@7.5574837 7.5574837 (766.4609, 4010.31)(767.464, 1652.92) 1 765.4536 765.4536@7.5574837 + 751.4382@7.562482 7.562482 (752.4455, 4358.68)(753.4498, 1637.19) 1 751.4382 751.4382@7.562482 + 435.2016@7.5815406 7.5815406 (436.2086, 2849.3767)(437.2122, 715.07) 3 435.2016 435.2016@7.5815406 + 257.122@7.6014695 7.6014695 (515.2512, 1376.36)(516.2463, 777.75)(258.1293, 1786.98) 1 257.122 257.122@7.6014695 + 675.3751@7.594814 7.594814 (676.38257, 1915.4026)(677.38727, 978.3125) 4 675.3751 675.3751@7.594814 + 595.3482@7.6017876 7.6017876 (596.35474, 3150.7917)(597.35706, 1268.164)(598.3695, 1605.7367)(618.3384, 2465.62)(619.3419, 901.0) 6 595.3482 595.3482@7.6017876 + 455.1705@7.636457 7.636457 (456.1778, 2160.92) 1 455.1705 455.1705@7.636457 + 288.9528@7.6414557 7.6414557 (289.9601, 1587.85) 1 288.9528 288.9528@7.6414557 + 533.2388@7.6452265 7.6452265 (534.246, 3509.5)(535.2487, 1052.65)(536.256, 782.52) 2 533.2388 533.2388@7.6452265 + 453.2122@7.6457233 7.6457233 (454.21912, 4631.73)(455.22336, 1670.355)(476.202, 1831.75) 2 453.2122 453.2122@7.6457233 + 611.2838@7.651452 7.651452 (612.2911, 3050.4)(613.2939, 1274.17)(614.3062, 5369.15)(615.3102, 1365.68) 1 611.2838 611.2838@7.651452 + 547.2184@7.6534514 7.6534514 (548.2262, 2284.01)(549.2343, 246.1)(550.2366, 325.93)(570.2052, 1039.43) 1 547.2184 547.2184@7.6534514 + 555.2203@7.6534514 7.6534514 (556.2276, 1975.44) 1 555.2203 555.2203@7.6534514 + 806.6269@7.65745 7.65745 (807.6342, 1953.0)(808.6363, 1571.01)(809.6425, 1090.13) 1 806.6269 806.6269@7.65745 + 527.19@7.65745 7.65745 (528.1973, 2515.59)(529.1994, 700.53) 1 527.19 527.19@7.65745 + 401.182@7.6584496 7.6584496 (402.1893, 1474.76) 1 401.182 401.182@7.6584496 + 664.3048@7.630601 7.630601 (665.312, 2101.28)(666.3207, 1243.93)(667.326, 774.37) 2 664.3048 664.3048@7.630601 + 832.6411@7.659449 7.659449 (833.6484, 2176.43)(834.6514, 1124.71)(835.6647, 3380.31)(836.6684, 1931.99)(837.6722, 141.95) 1 832.6411 832.6411@7.659449 + 643.2748@7.659449 7.659449 (644.2821, 3107.59)(645.2852, 1106.85)(646.2968, 4766.66)(647.3013, 1582.14) 1 643.2748 643.2748@7.659449 + 629.2953@7.661448 7.661448 (630.3021, 5562.07)(631.307, 1970.23)(652.2854, 2948.9)(653.2895, 1183.58)(654.2994, 4270.83) 1 629.2953 629.2953@7.661448 + 701.2787@7.661448 7.661448 (702.2842, 2638.63)(703.2865, 900.35)(704.2992, 1245.64)(684.2789, 1297.85)(685.286, 783.89) 1 701.2787 701.2787@7.661448 + 685.2846@7.6802435 7.6802435 (686.2909, 4070.7651)(687.2937, 1490.22)(688.3025, 1164.75)(668.2841, 2132.96)(669.2825, 1067.99) 2 685.2846 685.2846@7.6802435 + 449.1585@7.668848 7.668848 (450.1659, 3250.78)(451.1692, 874.24)(452.1664, 808.51) 3 449.1585 449.1585@7.668848 + 307.0967@7.6651554 7.6651554 (308.10406, 6013.27)(309.11816, 1549.415) 2 307.0967 307.0967@7.6651554 + 437.3012@7.6764426 7.6764426 (875.6093, 935.95)(438.3085, 2718.69) 1 437.3012 437.3012@7.6764426 + 401.1215@7.685278 7.685278 (402.12866, 2293.65)(403.1312, 933.91) 2 401.1215 401.1215@7.685278 + 459.1995@7.68444 7.68444 (460.2068, 3737.01)(461.2104, 1147.77) 1 459.1995 459.1995@7.68444 + 441.2482@7.6803236 7.6803236 (442.25537, 1843.315)(443.26532, 722.98)(464.2383, 722.96) 2 441.2482 441.2482@7.6803236 + 848.5881@7.701055 7.701055 (849.5953, 2990.53)(850.5992, 1578.785) 2 848.5881 848.5881@7.701055 + 74.0188@7.697048 7.697048 (75.026245, 3239.79) 2 74.0188 74.0188@7.697048 + 489.2097@7.697159 7.697159 (490.2168, 5608.2266)(491.22095, 1412.12)(492.2069, 1039.35) 3 489.2097 489.2097@7.697159 + 727.281@7.738419 7.738419 (728.2882, 1219.7) 1 727.281 727.281@7.738419 + 473.1609@7.7356014 7.7356014 (474.1668, 3142.7827)(475.1735, 1644.39)(496.1463, 751.32) 4 473.1609 473.1609@7.7356014 + 435.2017@7.7373886 7.7373886 (436.20883, 3980.114)(437.212, 1415.5051) 5 435.2017 435.2017@7.7373886 + 545.2377@7.7427063 7.7427063 (546.2453, 2589.2168)(547.2485, 944.99664)(548.2529, 710.44)(568.2276, 1532.04) 3 545.2377 545.2377@7.7427063 + 591.3152@7.751414 7.751414 (592.3225, 21427.76)(593.3257, 7056.25)(594.3375, 3653.11) 1 591.3152 591.3152@7.751414 + 292.143@7.7463856 7.7463856 (585.2966, 791.25)(293.15225, 3047.5967)(294.156, 877.58) 3 292.143 292.143@7.7463856 + 409.186@7.784374 7.784374 (410.19302, 2964.715)(411.19684, 934.598) 6 409.186 409.186@7.784374 + 397.1498@7.8394737 7.8394737 (398.15714, 3842.5842)(399.1599, 1120.85) 7 397.1498 397.1498@7.8394737 + 609.3272@7.8516784 7.8516784 (610.3346, 3684.44)(611.3385, 1364.4176)(612.3505, 2963.77)(613.3528, 969.88)(632.3192, 1429.48) 8 609.3272 609.3272@7.8516784 + 559.2543@7.8713627 7.8713627 (560.2615, 1546.3) 1 559.2543 559.2543@7.8713627 + 376.2395@7.867678 7.867678 (753.4819, 1127.03)(377.24646, 5430.3003)(378.2463, 935.96) 3 376.2395 376.2395@7.867678 + 390.7424@7.8873553 7.8873553 (782.4886, 670.04)(391.75, 1577.07) 1 390.7424 390.7424@7.8873553 + 477.212@7.9318886 7.9318886 (478.21893, 1710.5475)(479.2257, 989.96) 4 477.212 477.212@7.9318886 + 382.2384@7.9623194 7.9623194 (383.2457, 1929.61) 1 382.2384 382.2384@7.9623194 + 381.737@7.899028 7.899028 (764.4804, 2028.72)(765.4842, 1034.97)(766.4696, 518.41)(382.74457, 2851.435)(383.74762, 991.2) 2 381.737 381.737@7.899028 + 608.3796@7.989306 7.989306 (609.3869, 5755.06)(610.3869, 2435.16) 1 608.3796 608.3796@7.989306 + 368.224@8.008926 8.008926 (369.2316, 3581.1025)(370.23718, 1122.135) 4 368.224 368.224@8.008926 + 613.3027@8.031284 8.031284 (614.31, 1682.4) 1 613.3027 613.3027@8.031284 + 479.2247@8.03928 8.03928 (480.232, 2183.38) 1 479.2247 479.2247@8.03928 + 463.1964@8.037415 8.037415 (464.2036, 2156.865) 2 463.1964 463.1964@8.037415 + 505.2072@8.034706 8.034706 (506.21448, 3464.2876)(507.21704, 1006.325)(508.2285, 701.2) 4 505.2072 505.2072@8.034706 + 399.1661@8.066814 8.066814 (400.1729, 4058.36)(401.1765, 1278.64) 2 399.1661 399.1661@8.066814 + 345.1186@8.08337 8.08337 (346.1259, 3436.01)(347.1399, 1353.23) 7 345.1186 345.1186@8.08337 + 613.3015@8.092873 8.092873 (614.30835, 2254.285) 2 613.3015 613.3015@8.092873 + 495.2228@8.113053 8.113053 (496.22998, 3698.952)(497.23447, 1437.9567)(498.2417, 968.58997) 5 495.2228 495.2228@8.113053 + 427.1963@8.129844 8.129844 (428.20358, 3978.4714)(429.20868, 1086.0443) 7 427.1963 427.1963@8.129844 + 425.1803@8.124652 8.124652 (426.18805, 3134.312)(427.1908, 994.25) 5 425.1803 425.1803@8.124652 + 649.3227@8.154216 8.154216 (650.3345, 780.07)(632.3191, 4981.39)(633.3217, 946.37) 1 649.3227 649.3227@8.154216 + 369.231@8.153756 8.153756 (370.2385, 2898.4766) 3 369.231 369.231@8.153756 + 381.1548@8.245349 8.245349 (382.1621, 3269.3481)(383.16614, 907.8925) 5 381.1548 381.1548@8.245349 + 348.2074@8.262702 8.262702 (349.2151, 6071.5728)(350.2187, 749.77) 4 348.2074 348.2074@8.262702 + 306.1586@8.260548 8.260548 (613.3253, 1343.3201)(614.3406, 1054.53)(307.1661, 2634.5261)(308.17023, 811.19) 5 306.1586 306.1586@8.260548 + 427.1612@8.260393 8.260393 (428.16812, 3732.0737)(429.172, 1015.35004) 5 427.1612 427.1612@8.260393 + 541.1921@8.276773 8.276773 (542.19946, 2506.7852)(543.2025, 905.15) 2 541.1921 541.1921@8.276773 + 217.0912@8.280138 8.280138 (435.188, 2378.1)(436.1827, 1051.35)(218.0994, 2493.71) 1 217.0912 217.0912@8.280138 + 487.1954@8.313167 8.313167 (488.201, 3540.145)(489.20502, 1301.025)(490.2138, 807.51) 2 487.1954 487.1954@8.313167 + 385.1864@8.325352 8.325352 (386.1932, 2648.7424)(387.1991, 534.34) 4 385.1864 385.1864@8.325352 + 469.2054@8.361281 8.361281 (470.21304, 3303.08)(471.21783, 1064.615) 3 469.2054 469.2054@8.361281 + 473.1813@8.444026 8.444026 (474.1885, 2050.98)(475.1889, 974.31) 1 473.1813 473.1813@8.444026 + 509.2023@8.444026 8.444026 (510.2096, 4294.6)(511.2124, 1364.04) 1 509.2023 509.2023@8.444026 + 441.1753@8.560474 8.560474 (442.18274, 4011.877)(443.1881, 1051.7849)(444.1712, 677.32) 3 441.1753 441.1753@8.560474 + 457.2041@8.549531 8.549531 (458.21198, 2627.675) 2 457.2041 457.2041@8.549531 + 413.1806@8.624886 8.624886 (414.1872, 1800.78)(396.1778, 1813.89)(397.182, 894.12) 1 413.1806 413.1806@8.624886 + 469.1707@8.684865 8.684865 (470.17822, 2456.5232)(471.182, 1111.69) 3 469.1707 469.1707@8.684865 + 329.124@8.769212 8.769212 (330.13132, 4788.0933)(331.136, 1324.63)(352.1134, 2098.03) 3 329.124 329.124@8.769212 + 411.165@8.812969 8.812969 (412.17294, 3011.995)(413.1759, 868.68)(394.16174, 3225.49)(395.1646, 1062.62) 2 411.165 411.165@8.812969 + 479.2029@8.858178 8.858178 (480.20984, 4386.29)(481.2108, 983.29) 2 479.2029 479.2029@8.858178 + 439.2072@8.857123 8.857123 (440.2128, 1768.7533) 3 439.2072 439.2072@8.857123 + 415.1603@8.865417 8.865417 (416.16748, 12618.488)(417.16977, 3012.4998)(438.1504, 1356.99) 6 415.1603 415.1603@8.865417 + Lysine 8.990875 C16440 Lysine [ C6 H14 N2 O2, mfg=60.53, db=60.50, overall=60.52, KEGG ID=C16440, METLIN ID=71200 ] (147.11267, 12844.619)(148.11226, 1728.24)(149.1045, 757.47) 16 146.1054 Lysine + 279.1139@9.010039 9.010039 (280.12097, 4189.43)(281.12592, 1045.635) 3 279.1139 279.1139@9.010039 + 497.2131@9.062474 9.062474 (498.2204, 2005.83)(499.2256, 804.23) 1 497.2131 497.2131@9.062474 + 219.0993@9.108425 9.108425 (220.1066, 2424.62) 1 219.0993 219.0993@9.108425 + 536.1874@9.119413 9.119413 (537.1947, 267337.8)(538.1979, 48577.61)(539.1994, 10104.18)(540.2038, 1944.56) 1 536.1874 536.1874@9.119413 + 407.1459@9.11651 9.11651 (408.15314, 1588.7251)(409.1544, 990.91) 2 407.1459 407.1459@9.11651 + 154.1199@9.15837 9.15837 (155.1271, 1896.36) 1 154.1199 154.1199@9.15837 + 453.1899@9.143855 9.143855 (454.19507, 4741.89)(455.198, 1213.27)(456.1831, 911.09) 3 453.1899 453.1899@9.143855 + 411.1668@9.146862 9.146862 (412.1737, 2469.9275)(413.17792, 883.46) 4 411.1668 411.1668@9.146862 + 511.1941@9.163364 9.163364 (512.2013, 4242.74)(513.2037, 1169.22) 1 511.1941 511.1941@9.163364 + 483.2347@9.1823435 9.1823435 (484.242, 1373.96) 1 483.2347 483.2347@9.1823435 + 513.2557@9.176739 9.176739 (514.26263, 3171.38)(515.2672, 897.33997)(536.2452, 1235.1) 2 513.2557 513.2557@9.176739 + 471.1976@9.328816 9.328816 (472.20462, 3693.2678)(473.20898, 1058.835) 4 471.1976 471.1976@9.328816 + 269.1243@9.319138 9.319138 (270.1323, 2599.35)(271.1438, 824.52) 2 269.1243 269.1243@9.319138 + 527.2241@9.393716 9.393716 (528.2311, 2120.54)(529.234, 1041.37) 2 527.2241 527.2241@9.393716 + 196.1684@9.460112 9.460112 (197.17581, 1972.05)(198.181, 662.07) 2 196.1684 196.1684@9.460112 + 513.2084@9.446926 9.446926 (514.2156, 2652.425)(515.2185, 974.48) 2 513.2084 513.2084@9.446926 + 457.1929@9.725642 9.725642 (458.2002, 3181.92)(459.2061, 819.38) 1 457.1929 457.1929@9.725642 + 454.2075@9.722325 9.722325 (455.21472, 3617.627)(456.21774, 1157.895) 3 454.2075 454.2075@9.722325 + 249.1089@9.720526 9.720526 (250.1163, 4871.6924)(251.1278, 629.64) 7 249.1089 249.1089@9.720526 + 443.178@9.786552 9.786552 (444.1852, 2908.97) 1 443.178 443.178@9.786552 + 428.1924@9.944043 9.944043 (429.19962, 3953.7117)(430.20352, 1124.6925) 6 428.1924 428.1924@9.944043 + 414.1765@9.983829 9.983829 (415.18347, 3507.7424)(416.18677, 1416.74)(417.1878, 624.96) 4 414.1765 414.1765@9.983829 + 236.1011@10.092523 10.092523 (237.10881, 5240.9033) 3 236.1011 236.1011@10.092523 + 192.0834@10.120119 10.120119 (385.173, 2527.6025)(386.1762, 904.23)(193.09183, 1931.3374) 4 192.0834 192.0834@10.120119 + 270.1195@10.162943 10.162943 (271.1267, 1896.83) 1 270.1195 270.1195@10.162943 + 252.1037@10.700903 10.700903 (253.111, 2688.69) 1 252.1037 252.1037@10.700903 + 339.0775@0.76867056 0.76867056 (340.08472, 42353.48)(341.0878, 7234.6934)(342.08557, 2511.4934)(357.112, 1113.66)(362.0665, 1480.45) 3 339.0775 339.0775@0.76867056 + 264.0903@0.7907162 0.7907162 (265.0953, 8872.078)(266.10004, 1812.645)(247.08725, 4334.93)(248.08795, 1182.3) 6 264.0903 264.0903@0.7907162 + 360.0261@0.7908701 0.7908701 (361.0334, 812.78) 1 360.0261 360.0261@0.7908701 + 381.2547@0.86151654 0.86151654 (382.26196, 3203.1277)(383.26514, 1163.06)(364.2503, 683.71) 4 381.2547 381.2547@0.86151654 + 461.2113@0.8631234 0.8631234 (462.21878, 2843.2969) 3 461.2113 461.2113@0.8631234 + 106.9597@0.91672057 0.91672057 (107.96692, 3075.366) 5 106.9597 106.9597@0.91672057 + 821.1945@1.0126996 1.0126996 (822.201, 2640.19)(823.1989, 1335.8467)(824.2119, 948.38)(839.2301, 4689.98)(840.2274, 1560.88) 6 821.1945 821.1945@1.0126996 + 1132.3046@1.0296248 1.0296248 (1133.299, 3650.1868)(1134.2972, 2143.4016)(1135.2957, 1192.1239) 6 1132.3046 1132.3046@1.0296248 + 912.2473@1.0238672 1.0238672 (913.2501, 4150.9043)(914.2468, 1757.0664)(915.25073, 924.54004) 13 912.2473 912.2473@1.0238672 + 642.5959@1.0419726 1.0419726 (643.60315, 1363.03)(644.6015, 1110.24) 2 642.5959 642.5959@1.0419726 + 710.3623@1.0128032 1.0128032 (711.36694, 1973.21)(712.3651, 1202.03)(733.3527, 941.09) 2 710.3623 710.3623@1.0128032 + 421.2834@1.0601436 1.0601436 (422.2901, 3367.83) 5 421.2834 421.2834@1.0601436 + 528.419@1.0632718 1.0632718 (529.4259, 3609.1501) 2 528.419 528.419@1.0632718 + 685.3523@1.0635208 1.0635208 (686.3489, 1791.1234)(687.3579, 951.07666) 3 685.3523 685.3523@1.0635208 + 528.3435@1.0686419 1.0686419 (1057.6813, 1316.34)(529.3495, 6170.881)(530.3628, 7554.82) 9 528.3435 528.3435@1.0686419 + 407.2706@1.0697166 1.0697166 (815.5551, 706.23)(408.2775, 2924.9744)(425.30536, 6069.1714)(426.31097, 3260.545) 7 407.2706 407.2706@1.0697166 + 442.3445@1.0697812 1.0697812 (443.35428, 4373.6265) 6 442.3445 442.3445@1.0697812 + 455.36@1.0755979 1.0755979 (456.36737, 4695.8394)(457.3707, 2730.2102)(458.3797, 3947.58)(438.36163, 2848.085)(478.34814, 2592.2651) 11 455.36 455.36@1.0755979 + 521.3702@1.070777 1.070777 (522.3775, 7649.59)(523.3652, 4188.09) 1 521.3702 521.3702@1.070777 + 563.4186@1.070777 1.070777 (564.4258, 7750.3)(565.4254, 4538.56)(566.4228, 5148.08) 1 563.4186 563.4186@1.070777 + 611.5106@1.0801891 1.0801891 (612.51843, 5348.0654)(613.5183, 2663.3774)(614.531, 1825.39) 4 611.5106 611.5106@1.0801891 + 500.3145@1.0727763 1.0727763 (501.3217, 1912.75) 1 500.3145 500.3145@1.0727763 + 665.5042@1.0692185 1.0692185 (666.51855, 2534.1133)(667.5227, 1681.0101)(668.5235, 2584.84) 3 665.5042 665.5042@1.0692185 + 1133.3049@1.0562828 1.0562828 (1134.3049, 3002.0127)(1135.3091, 1483.9634)(1136.3066, 810.88) 4 1133.3049 1133.3049@1.0562828 + 477.4111@1.073776 1.073776 (478.4183, 1794.47) 1 477.4111 477.4111@1.073776 + 589.461@1.0742598 1.0742598 (590.469, 3770.7) 2 589.461 589.461@1.0742598 + 717.4692@1.0757751 1.0757751 (718.4765, 1750.94)(719.4856, 1052.49) 1 717.4692 717.4692@1.0757751 + 801.4838@1.0757751 1.0757751 (802.4874, 999.27)(784.4818, 1158.11)(785.4907, 701.15)(786.502, 778.24) 1 801.4838 801.4838@1.0757751 + 451.3169@1.0764272 1.0764272 (452.3236, 3933.255) 2 451.3169 451.3169@1.0764272 + 738.5037@1.0757967 1.0757967 (739.51245, 1736.6101)(740.5237, 1465.65) 2 738.5037 738.5037@1.0757967 + 809.4924@1.0797737 1.0797737 (810.4997, 1111.52)(811.503, 1073.38)(812.5147, 760.29) 1 809.4924 809.4924@1.0797737 + Lankacidin C 1.0817 C15758 Lankacidin C [ C25 H33 N O7, mfg=70.34, db=70.31, overall=70.32, KEGG ID=C15758, METLIN ID=71089 ] (460.23355, 6964.289)(461.2401, 2479.4287)(462.23813, 1257.8601)(482.2135, 717.88) 15 459.2262 Lankacidin C + 692.4525@1.085074 1.085074 (693.4586, 1960.0599)(694.4672, 1459.1729)(695.4741, 1563.83) 8 692.4525 692.4525@1.085074 + 749.4869@1.0817729 1.0817729 (750.4942, 1218.4)(751.4835, 762.48)(752.4955, 1970.53)(753.4961, 1269.15)(754.5008, 1890.85) 1 749.4869 749.4869@1.0817729 + 370.2347@1.0837721 1.0837721 (371.2412, 5674.98)(388.2687, 26301.67)(389.2701, 15173.8) 1 370.2347 370.2347@1.0837721 + 458.215@1.0875682 1.0875682 (459.21848, 2871.0198)(441.2146, 2298.33) 7 458.215 458.215@1.0875682 + 394.2552@1.0887702 1.0887702 (395.2624, 5651.2) 1 394.2552 394.2552@1.0887702 + 793.4925@1.0927687 1.0927687 (794.4997, 1559.59)(795.5067, 1188.2)(796.5169, 1350.62) 1 793.4925 793.4925@1.0927687 + 779.5912@1.0964077 1.0964077 (780.59717, 6096.31)(781.60443, 3228.572)(782.6032, 1875.3126)(762.589, 1110.44) 5 779.5912 779.5912@1.0964077 + 369.2523@1.1007776 1.1007776 (739.5108, 837.47)(370.25903, 10735.236)(371.2571, 4897.17)(392.2403, 12369.17)(393.2426, 6026.36) 3 369.2523 369.2523@1.1007776 + 609.5677@1.1037314 1.1037314 (610.5736, 1201.1925)(611.5758, 751.17505)(592.5654, 3873.8074)(593.57434, 1495.1174)(594.5782, 1750.66) 8 609.5677 609.5677@1.1037314 + 679.5544@1.1807353 1.1807353 (680.55774, 1424.8049)(681.56506, 918.92) 2 679.5544 679.5544@1.1807353 + 560.4063@1.1152799 1.1152799 (561.41394, 4178.44)(562.4105, 2479.21) 4 560.4063 560.4063@1.1152799 + 421.3036@1.1461666 1.1461666 (422.31104, 7520.805)(423.3121, 6059.15) 2 421.3036 421.3036@1.1461666 + 577.4776@1.1342729 1.1342729 (578.48395, 2051.17)(579.49664, 975.43994) 3 577.4776 577.4776@1.1342729 + 339.2069@1.1224144 1.1224144 (340.2139, 7574.6694)(341.22076, 7681.8325)(342.2236, 5065.45)(322.2013, 1504.57) 14 339.2069 339.2069@1.1224144 + 222.1256@1.116759 1.116759 (223.1329, 9755.93) 1 222.1256 222.1256@1.116759 + 425.2413@1.1218425 1.1218425 (426.249, 10015.43)(427.2551, 4897.8604)(448.2262, 2915.85) 3 425.2413 425.2413@1.1218425 + 607.4006@1.1197578 1.1197578 (608.4079, 1650.06) 1 607.4006 607.4006@1.1197578 + 358.2134@1.1263479 1.1263479 (717.4416, 1036.77)(718.4441, 693.72)(719.4408, 1029.78)(359.21957, 15644.534)(360.2294, 5217.07) 3 358.2134 358.2134@1.1263479 + 326.155@1.1657988 1.1657988 (327.16086, 21245.186)(328.16785, 5956.02)(329.1635, 3995.12)(349.1479, 3020.51) 3 326.155 326.155@1.1657988 + 178.0997@1.1390269 1.1390269 (357.20657, 9427.353)(358.21964, 4968.5664)(179.10727, 3434.0942) 5 178.0997 178.0997@1.1390269 + 521.4131@1.1049451 1.1049451 (522.4217, 3499.8135)(523.4341, 1641.475) 3 521.4131 521.4131@1.1049451 + 739.5013@1.1227566 1.1227566 (740.5085, 1461.4) 1 739.5013 739.5013@1.1227566 + 602.4521@1.1135739 1.1135739 (603.4571, 2677.62)(604.46686, 2395.7068)(605.4598, 1944.8501)(620.4848, 1708.3)(621.5008, 1057.74)(622.4944, 1572.32) 8 602.4521 602.4521@1.1135739 + 382.2133@1.1023343 1.1023343 (383.22107, 5079.675) 2 382.2133 382.2133@1.1023343 + 370.1795@1.1267549 1.1267549 (371.1868, 4814.09) 1 370.1795 370.1795@1.1267549 + 616.4036@1.1307534 1.1307534 (617.4109, 1278.26) 1 616.4036 616.4036@1.1307534 + 607.4783@1.1356196 1.1356196 (608.48444, 3818.1934)(609.4841, 3584.24)(630.4619, 1796.41) 3 607.4783 607.4783@1.1356196 + 491.4327@1.1361321 1.1361321 (492.43884, 2105.8926)(493.4411, 910.4975)(509.4699, 1627.61) 4 491.4327 491.4327@1.1361321 + 401.2761@1.1359363 1.1359363 (402.27942, 7934.295)(403.2842, 5008.69) 2 401.2761 401.2761@1.1359363 + 416.3664@1.1377504 1.1377504 (417.3737, 2445.02)(418.3828, 1062.14) 1 416.3664 416.3664@1.1377504 + 338.281@1.1567842 1.1567842 (339.2883, 4322.033)(340.2876, 2019.64) 3 338.281 338.281@1.1567842 + 271.1779@1.1728051 1.1728051 (272.1856, 8090.1533)(273.18448, 3640.57) 10 271.1779 271.1779@1.1728051 + 369.2519@1.1621891 1.1621891 (370.25937, 15329.501)(371.26294, 10030.365) 7 369.2519 369.2519@1.1621891 + 98.073@1.135252 1.135252 (197.15324, 5641.1094)(198.1522, 1359.0299)(214.17941, 6278.495)(215.1824, 2103.97)(99.07997, 2239.9026)(81.0695, 1400.19) 4 98.073 98.073@1.135252 + 421.2096@1.1640605 1.1640605 (422.21774, 3719.0598) 3 421.2096 421.2096@1.1640605 + 653.5028@1.1657387 1.1657387 (654.5101, 1021.38)(655.5232, 885.45) 1 653.5028 653.5028@1.1657387 + 423.2257@1.1598507 1.1598507 (424.23398, 4885.247)(425.23657, 1972.77)(446.21893, 1921.7899) 8 423.2257 423.2257@1.1598507 + 619.357@1.181627 1.181627 (620.3664, 2662.482)(621.368, 1390.1733)(622.3781, 631.48)(642.3453, 840.0) 10 619.357 619.357@1.181627 + 268.1665@1.1797327 1.1797327 (269.1737, 13715.91)(270.1753, 4001.02) 1 268.1665 268.1665@1.1797327 + 359.2298@1.193761 1.193761 (741.4541, 784.76)(360.2367, 14203.927)(361.23715, 6705.705)(382.2225, 4743.91) 6 359.2298 359.2298@1.193761 + 262.2154@1.1955094 1.1955094 (263.22324, 2796.1006)(264.22278, 1396.885)(265.2146, 1273.6)(285.2048, 3714.36) 9 262.2154 262.2154@1.1955094 + 407.2296@1.1987245 1.1987245 (408.2369, 16882.86) 1 407.2296 407.2296@1.1987245 + 490.2228@1.2077205 1.2077205 (491.2301, 1849.45)(492.245, 777.0) 1 490.2228 490.2228@1.2077205 + 228.0619@1.2076378 1.2076378 (229.06805, 1481.165) 2 228.0619 228.0619@1.2076378 + 385.3182@1.1953418 1.1953418 (386.32654, 12617.996)(387.3287, 10394.08)(368.31512, 57896.59)(369.3188, 13833.5)(408.307, 8741.79)(409.30566, 3813.04) 8 385.3182 385.3182@1.1953418 + 203.0696@1.2147175 1.2147175 (204.0769, 10331.33)(205.0865, 2946.48) 1 203.0696 203.0696@1.2147175 + C17 H26 O4 1.2258022 [ C17 H26 O4, mfg=59.05, overall=59.05 ] (589.3745, 698.77)(295.18906, 14133.239)(296.19595, 4353.2446)(317.1752, 2110.14) 17 294.1808 C17 H26 O4 + 415.2196@1.2217144 1.2217144 (416.2269, 9008.76)(417.227, 5463.56) 1 415.2196 415.2196@1.2217144 + 234.1615@1.2384372 1.2384372 (491.3133, 2034.06)(235.16924, 11581.68)(252.1931, 5159.71) 3 234.1615 234.1615@1.2384372 + 400.2236@1.2289555 1.2289555 (801.4444, 1525.51)(802.4471, 987.12)(401.22986, 5859.025) 2 400.2236 400.2236@1.2289555 + 342.2178@1.2327094 1.2327094 (343.2251, 9159.04) 1 342.2178 342.2178@1.2327094 + 318.2198@1.2367164 1.2367164 (319.228, 6246.055) 2 318.2198 318.2198@1.2367164 + 343.2268@1.1524053 1.1524053 (344.23605, 17158.676)(345.2417, 5781.2)(346.22165, 3767.585) 4 343.2268 343.2268@1.1524053 + 401.3088@1.2459016 1.2459016 (402.31802, 3108.5479)(403.31747, 1532.125)(384.30682, 19865.824)(385.3005, 12049.19)(424.29956, 3449.4216)(425.2995, 1907.0)(426.3048, 4277.73) 9 401.3088 401.3088@1.2459016 + 350.2125@1.2347972 1.2347972 (718.4605, 769.19)(351.21765, 11779.01)(352.2218, 6000.7734)(353.2299, 28065.46)(373.2009, 9062.39) 4 350.2125 350.2125@1.2347972 + 259.1816@1.248702 1.248702 (260.1872, 2915.77)(277.2158, 9920.28)(278.2162, 3535.17)(279.2182, 8750.66) 1 259.1816 259.1816@1.248702 + 150.1404@1.249761 1.249761 (151.14766, 3537.6501) 3 150.1404 150.1404@1.249761 + 619.361@1.2486145 1.2486145 (620.36774, 2259.6733)(621.3719, 1205.9976)(602.3628, 1286.95) 6 619.361 619.361@1.2486145 + 654.5114@1.2517008 1.2517008 (655.5187, 1904.57)(656.53, 1326.12)(657.5312, 941.15) 1 654.5114 654.5114@1.2517008 + 365.2989@1.2426137 1.2426137 (731.5889, 3959.36)(732.5878, 2515.25)(366.30017, 30137.285)(367.30225, 7899.694)(368.315, 54791.02)(369.3184, 13029.78)(383.3233, 8067.18) 8 365.2989 365.2989@1.2426137 + 735.5146@1.2575315 1.2575315 (736.51953, 3012.298)(737.5239, 1494.2716)(738.52924, 1918.07)(753.5504, 1839.29)(754.5425, 1374.44)(755.5602, 1708.47) 6 735.5146 735.5146@1.2575315 + 256.1802@1.2558987 1.2558987 (535.3435, 1479.08)(257.1869, 7141.7124) 4 256.1802 256.1802@1.2558987 + 838.6188@1.2589648 1.2589648 (839.6257, 2150.5886)(840.6276, 1159.3367) 7 838.6188 838.6188@1.2589648 + 642.4852@1.1829503 1.1829503 (643.4966, 3068.187)(644.4966, 2651.7878)(645.4971, 1049.29)(625.482, 4649.62) 7 642.4852 642.4852@1.1829503 + 265.1688@1.2570937 1.2570937 (553.3312, 1095.81)(266.1766, 68998.27)(267.1707, 17812.963) 4 265.1688 265.1688@1.2570937 + 743.5783@1.2561594 1.2561594 (744.58344, 3651.0535)(745.58075, 2396.6768)(746.56464, 1684.7567)(747.5541, 716.84) 3 743.5783 743.5783@1.2561594 + 787.5978@1.1899006 1.1899006 (788.6067, 2158.295)(789.6097, 2149.44)(790.5919, 2546.52)(770.5945, 7440.6)(771.5977, 3496.39)(772.612, 2715.46) 2 787.5978 787.5978@1.1899006 + 202.1373@1.2337449 1.2337449 (427.26093, 4323.88)(428.2648, 2256.38)(429.2464, 2831.77)(203.14453, 5099.4595)(204.14407, 1482.22)(220.1687, 1145.98) 10 202.1373 202.1373@1.2337449 + 498.287@1.2546993 1.2546993 (499.2943, 8715.76)(500.295, 3737.59)(501.292, 1733.15) 1 498.287 498.287@1.2546993 + 783.589@1.2580626 1.2580626 (784.5945, 1961.395)(785.6142, 1304.73) 2 783.589 783.589@1.2580626 + 613.4896@1.2275478 1.2275478 (614.4937, 3532.3767)(615.48944, 1970.38)(616.4968, 640.48)(596.4877, 3021.14)(597.4942, 1255.88)(636.4799, 6910.3867)(637.4789, 2635.3867)(638.4777, 1675.42) 3 613.4896 613.4896@1.2275478 + 158.0841@1.2556989 1.2556989 (159.0914, 13603.29)(160.097, 4713.27)(161.0973, 6002.86) 1 158.0841 158.0841@1.2556989 + 357.2856@1.258207 1.258207 (358.29224, 3436.295) 2 357.2856 357.2856@1.258207 + 209.1768@1.2601241 1.2601241 (436.3943, 888.82)(210.18442, 4998.9155) 5 209.1768 209.1768@1.2601241 + 592.3808@1.2566985 1.2566985 (593.3861, 1198.35)(610.4156, 2260.11)(611.4289, 1456.71) 1 592.3808 592.3808@1.2566985 + 648.4596@1.2137747 1.2137747 (649.4674, 1603.82)(650.4712, 1325.67)(651.4739, 1069.76)(666.4972, 2504.525)(667.4986, 1674.53) 3 648.4596 648.4596@1.2137747 + 715.5404@1.2614112 1.2614112 (716.54156, 3887.3052)(717.54175, 1603.99)(738.5332, 6647.9) 2 715.5404 715.5404@1.2614112 + 589.4199@1.2624104 1.2624104 (1196.8809, 3194.33)(1197.8857, 1365.69)(590.4262, 11186.425)(591.4304, 4151.465)(592.4176, 1549.305) 2 589.4199 589.4199@1.2624104 + 403.3293@1.2587067 1.2587067 (404.33585, 2866.845)(386.3261, 57143.97)(387.3277, 16671.28) 2 403.3293 403.3293@1.2587067 + 359.3029@1.2704909 1.2704909 (360.30957, 2652.5151)(361.31232, 967.17004) 2 359.3029 359.3029@1.2704909 + 223.1209@1.2829046 1.2829046 (464.28, 1650.33)(224.12846, 14206.661) 5 223.1209 223.1209@1.2829046 + 1207.3234@1.2756896 1.2756896 (1208.3307, 1492.13) 1 1207.3234 1207.3234@1.2756896 + 1201.325@1.2787696 1.2787696 (1202.3325, 4703.8267)(1203.3341, 5139.0464)(1204.3326, 5441.1) 3 1201.325 1201.325@1.2787696 + 1204.3248@1.2830073 1.2830073 (1205.3322, 5524.27)(1206.3307, 3263.59)(1207.3304, 1734.8401) 2 1204.3248 1204.3248@1.2830073 + 179.0616@1.3005166 1.3005166 (180.06897, 10714.134)(202.05025, 1366.625) 3 179.0616 179.0616@1.3005166 + 186.0796@1.2936811 1.2936811 (187.0869, 23072.33) 1 186.0796 186.0796@1.2936811 + 126.032@1.3126032 1.3126032 (127.03963, 4079.804)(149.0233, 2129.53) 5 126.032 126.032@1.3126032 + 376.3024@1.3086739 1.3086739 (377.3097, 1988.91)(378.3128, 1280.35) 1 376.3024 376.3024@1.3086739 + 253.2043@1.3116724 1.3116724 (254.2116, 1487.35) 1 253.2043 253.2043@1.3116724 + 309.1774@1.3236666 1.3236666 (310.1846, 3567.03) 1 309.1774 309.1774@1.3236666 + 245.1875@1.3396587 1.3396587 (246.1948, 2550.32)(247.1955, 653.12) 1 245.1875 245.1875@1.3396587 + 1350.3625@1.3560297 1.3560297 (1351.3702, 3147.1921)(1352.3694, 3558.5398)(1353.3689, 2499.184) 5 1350.3625 1350.3625@1.3560297 + 215.1524@1.329787 1.329787 (431.3134, 2018.37)(448.3316, 2644.67)(216.15874, 36229.92)(217.16225, 6352.2197)(218.1621, 1193.44)(198.149, 47442.73)(199.1526, 7158.95)(238.14235, 19953.355) 3 215.1524 215.1524@1.329787 + 436.1328@1.3706431 1.3706431 (437.1401, 1174.53) 1 436.1328 436.1328@1.3706431 + 126.0316@1.3755957 1.3755957 (127.039635, 4670.7246)(128.0415, 884.87) 6 126.0316 126.0316@1.3755957 + 169.1466@1.4040264 1.4040264 (170.15388, 9573.8125)(171.15201, 1724.1199) 8 169.1466 169.1466@1.4040264 + 166.0642@1.3886338 1.3886338 (167.072, 3800.23)(184.0973, 2209.04) 1 166.0642 166.0642@1.3886338 + 621.4554@1.4354472 1.4354472 (622.4636, 1567.79)(623.4592, 1157.38) 2 621.4554 621.4554@1.4354472 + 369.2736@1.5095447 1.5095447 (370.28024, 4752.669)(371.28125, 1110.8099) 8 369.2736 369.2736@1.5095447 + 344.1663@1.4076239 1.4076239 (345.1736, 1821.3)(346.1863, 498.85) 1 344.1663 344.1663@1.4076239 + 262.0875@1.3374162 1.3374162 (263.0919, 61982.938)(264.09235, 8872.72)(265.0962, 5947.24)(245.084, 12624.91)(246.0876, 1424.47)(285.0765, 10897.31)(286.0812, 1255.53)(287.0756, 1137.36) 2 262.0875 262.0875@1.3374162 + 197.1418@1.4115438 1.4115438 (198.1489, 69684.34)(199.1519, 9982.425)(200.16245, 1815.7649)(220.1336, 1975.23) 2 197.1418 197.1418@1.4115438 + 199.0302@1.420617 1.420617 (200.0375, 4420.75) 1 199.0302 199.0302@1.420617 + 285.195@1.4312615 1.4312615 (286.20322, 4207.569)(287.2051, 1070.0283)(268.1902, 1969.3)(308.18442, 2302.874) 8 285.195 285.195@1.4312615 + 201.0791@1.4339402 1.4339402 (202.08655, 11549.85) 2 201.0791 201.0791@1.4339402 + 364.1224@1.3656735 1.3656735 (365.12653, 1743.485)(366.1289, 1172.62)(382.1561, 1993.13) 2 364.1224 364.1224@1.3656735 + 156.1204@1.3866659 1.3866659 (313.2471, 7886.8)(314.2517, 1940.4)(157.13055, 2198.795) 2 156.1204 156.1204@1.3866659 + 138.1044@1.4559121 1.4559121 (139.11224, 2093.59)(156.13794, 7841.357)(157.139, 1178.755) 3 138.1044 138.1044@1.4559121 + 428.2547@1.5075217 1.5075217 (429.2599, 2708.545)(430.2663, 1464.535) 2 428.2547 428.2547@1.5075217 + 198.1305@1.4645932 1.4645932 (199.1378, 6446.89) 1 198.1305 198.1305@1.4645932 + 196.1196@1.4645932 1.4645932 (197.1269, 7443.04) 1 196.1196 196.1196@1.4645932 + 236.1037@1.4835669 1.4835669 (237.11113, 7576.7603)(238.11237, 1801.0166) 3 236.1037 236.1037@1.4835669 + 315.1684@1.5035713 1.5035713 (316.1757, 6459.71)(317.1813, 920.62) 1 315.1684 315.1684@1.5035713 + 294.2039@1.5002675 1.5002675 (295.21146, 19351.295)(296.21344, 3744.3923)(312.23767, 10621.485) 4 294.2039 294.2039@1.5002675 + 113.0841@1.5488626 1.5488626 (227.1739, 2610.095)(249.1577, 2722.8901)(114.0914, 251250.83)(115.09445, 16807.121)(116.0975, 1256.21) 2 113.0841 113.0841@1.5488626 + 416.3279@1.6209114 1.6209114 (417.3356, 1601.245)(418.3307, 892.88) 2 416.3279 416.3279@1.6209114 + 274.1085@1.568191 1.568191 (549.2245, 1043.47)(571.2081, 2983.62)(572.2122, 1058.43)(275.11255, 2871.335) 2 274.1085 274.1085@1.568191 + 341.2045@1.5802698 1.5802698 (342.2119, 14902.92)(343.2153, 4372.82)(344.2122, 9740.5)(345.2168, 2381.93)(346.22, 1065.63) 2 341.2045 341.2045@1.5802698 + 354.1232@1.5758506 1.5758506 (355.131, 2817.945)(356.13385, 1015.1757)(357.12567, 762.81)(377.1132, 5981.356)(378.11838, 1299.07) 14 354.1232 354.1232@1.5758506 + 184.0238@1.5775278 1.5775278 (185.0312, 5372.6)(167.0201, 2512.97) 1 184.0238 184.0238@1.5775278 + 463.3149@1.6072406 1.6072406 (464.32227, 4825.29)(465.32507, 1510.565)(466.3255, 965.31) 2 463.3149 463.3149@1.6072406 + 98.0371@1.5817764 1.5817764 (99.04478, 3862.61)(81.033646, 3479.804) 5 98.0371 98.0371@1.5817764 + 364.9898@1.6041365 1.6041365 (365.99915, 2666.545)(366.99915, 1039.02)(367.998, 633.43) 4 364.9898 364.9898@1.6041365 + 469.093@1.5985333 1.5985333 (470.10095, 1752.0875) 4 469.093 469.093@1.5985333 + 292.0928@1.616504 1.616504 (293.1001, 2753.59)(294.1061, 1053.7) 1 292.0928 292.0928@1.616504 + 179.059@1.6474844 1.6474844 (180.0663, 7473.63)(181.066, 1169.58) 1 179.059 179.059@1.6474844 + 430.2699@1.6494831 1.6494831 (431.2771, 2354.38)(432.2843, 1009.17) 1 430.2699 430.2699@1.6494831 + 411.1141@1.6514819 1.6514819 (412.1241, 1572.65)(434.1028, 5522.24)(435.106, 1041.24) 1 411.1141 411.1141@1.6514819 + 243.1473@1.6530527 1.6530527 (244.15422, 7949.5654)(245.15388, 2461.0798)(266.13696, 4944.916)(267.139, 2494.78) 5 243.1473 243.1473@1.6530527 + 247.0875@1.6867684 1.6867684 (495.1845, 2001.79)(248.09384, 3408.255) 2 247.0875 247.0875@1.6867684 + 229.0446@1.709444 1.709444 (230.0511, 796.93)(252.0339, 6229.75) 1 229.0446 229.0446@1.709444 + 522.0318@1.7164394 1.7164394 (523.0391, 1043.36) 1 522.0318 522.0318@1.7164394 + 136.0635@1.727432 1.727432 (137.0708, 50527.56)(138.0717, 5092.3) 1 136.0635 136.0635@1.727432 + 206.0695@1.7374252 1.7374252 (207.0769, 20517.12)(208.0838, 3713.57)(189.0661, 2925.26) 1 206.0695 206.0695@1.7374252 + 354.0691@1.7454197 1.7454197 (355.0747, 1310.39)(337.0682, 766.8) 1 354.0691 354.0691@1.7454197 + 435.2833@1.8272566 1.8272566 (436.29016, 2145.76)(437.2932, 906.04)(438.27966, 688.75) 12 435.2833 435.2833@1.8272566 + 269.1838@1.7763982 1.7763982 (270.1911, 36171.95)(271.1947, 5195.96)(272.1885, 2393.44) 1 269.1838 269.1838@1.7763982 + 206.1054@1.7853919 1.7853919 (207.1127, 16721.87)(208.1216, 1644.75) 1 206.1054 206.1054@1.7853919 + 296.1585@1.8188896 1.8188896 (297.1654, 3632.91)(298.1734, 1870.18) 3 296.1585 296.1585@1.8188896 + 588.3132@1.8553414 1.8553414 (589.3205, 5961.61)(590.3224, 2516.43) 1 588.3132 588.3132@1.8553414 + 441.0093@1.9003078 1.9003078 (442.0165, 906.2) 1 441.0093 441.0093@1.9003078 + 256.0517@1.9413484 1.9413484 (257.0592, 3757.3618)(258.0638, 762.41504)(279.04065, 1623.5449) 5 256.0517 256.0517@1.9413484 + 266.1184@1.9832426 1.9832426 (267.1246, 2192.41)(249.1155, 9237.22) 1 266.1184 266.1184@1.9832426 + 184.1101@1.9858783 1.9858783 (185.1177, 10128.795)(186.11713, 1937.7559)(187.11035, 1251.585)(167.1067, 4754.7065)(168.1102, 3116.93) 10 184.1101 184.1101@1.9858783 + 413.1712@1.995233 1.995233 (414.1785, 4243.77)(415.1821, 1098.26) 1 413.1712 413.1712@1.995233 + 245.1624@2.0022438 2.0022438 (246.17021, 2564.1218)(247.1708, 1343.685)(228.15923, 9109.533)(229.1598, 2000.3633)(268.1502, 1485.15) 5 245.1624 245.1624@2.0022438 + 416.2449@2.0691714 2.0691714 (417.2521, 2292.63)(418.2489, 829.03) 1 416.2449 416.2449@2.0691714 + 192.0896@2.1381116 2.1381116 (193.0969, 32314.58)(194.1017, 4500.07) 1 192.0896 192.0896@2.1381116 + 806.1873@2.1461046 2.1461046 (807.1946, 2235.55)(808.1933, 1001.29) 1 806.1873 806.1873@2.1461046 + 337.1539@2.1471035 2.1471035 (338.1611, 3076.56)(339.1682, 1081.26) 1 337.1539 337.1539@2.1471035 + 548.171@2.1540973 2.1540973 (549.1782, 2251.69)(550.1785, 709.85) 1 548.171 548.171@2.1540973 + 478.1979@2.1540973 2.1540973 (479.2052, 1593.89) 1 478.1979 478.1979@2.1540973 + 507.181@2.1540973 2.1540973 (508.19, 1092.24)(525.2143, 5468.6)(530.1705, 1820.63) 1 507.181 507.181@2.1540973 + 738.2366@2.1550963 2.1550963 (739.2425, 726.6)(721.2339, 1344.7) 1 738.2366 738.2366@2.1550963 + 451.1683@2.1560955 2.1560955 (452.1756, 4089.41)(453.181, 1298.04)(454.1856, 861.19) 1 451.1683 451.1683@2.1560955 + 243.1126@2.1575265 2.1575265 (244.11934, 1244.6525)(226.10947, 19302.062)(227.11723, 2554.5366)(228.1184, 1430.41) 4 243.1126 243.1126@2.1575265 + 551.2002@2.15877 2.15877 (552.2078, 3861.51)(553.2087, 1188.4099) 2 551.2002 551.2002@2.15877 + 176.095@2.1600919 2.1600919 (177.1023, 25591.38)(178.1068, 3700.51) 1 176.095 176.095@2.1600919 + 568.2148@2.1599429 2.1599429 (569.2217, 3098.5535)(551.21173, 1723.6901) 3 568.2148 568.2148@2.1599429 + 321.1611@2.1620014 2.1620014 (322.1683, 3194.525)(323.16885, 1026.0625) 4 321.1611 321.1611@2.1620014 + 460.2887@2.2000556 2.2000556 (461.2959, 8960.65)(462.3007, 3210.74)(463.3044, 832.36) 1 460.2887 460.2887@2.2000556 + 745.554@2.2340238 2.2340238 (746.5612, 2101.04)(747.564, 1161.23) 1 745.554 745.554@2.2340238 + 287.1007@2.2539628 2.2539628 (288.10803, 2688.0066)(289.1097, 642.73) 3 287.1007 287.1007@2.2539628 + 176.099@2.2827358 2.2827358 (177.10904, 13769.961)(178.111, 2729.46) 2 176.099 176.099@2.2827358 + 355.2208@2.2969637 2.2969637 (356.2281, 2973.06)(357.2304, 1011.93) 1 355.2208 355.2208@2.2969637 + 239.1516@2.4846404 2.4846404 (240.15904, 9490.555)(241.1621, 1820.9834) 6 239.1516 239.1516@2.4846404 + 227.1519@2.4423482 2.4423482 (228.15913, 5999.3433)(229.16223, 1214.3433) 3 227.1519 227.1519@2.4423482 + 305.1163@2.5274007 2.5274007 (306.1237, 3639.9272)(307.12723, 1075.125) 7 305.1163 305.1163@2.5274007 + 211.0661@2.661982 2.661982 (212.07364, 4031.545)(213.07835, 824.69995) 2 211.0661 211.0661@2.661982 + 325.1177@2.6865385 2.6865385 (326.125, 1260.61) 1 325.1177 325.1177@2.6865385 + 392.1282@2.6586542 2.6586542 (393.13525, 1208.48) 2 392.1282 392.1282@2.6586542 + 483.1567@2.6924963 2.6924963 (484.16376, 5392.052)(485.16675, 1947.64) 5 483.1567 483.1567@2.6924963 + 128.0583@2.7389119 2.7389119 (129.0655, 11152.707)(130.0665, 952.36)(111.0562, 2724.395) 6 128.0583 128.0583@2.7389119 + 547.3384@2.8992672 2.8992672 (548.3457, 20341.96)(549.3485, 6319.58)(550.3493, 1829.17) 1 547.3384 547.3384@2.8992672 + 96.0214@2.903161 2.903161 (97.02871, 25891.182)(98.02936, 1814.5969)(99.025475, 685.6425) 19 96.0214 96.0214@2.903161 + 577.652@2.97017 2.97017 (578.6593, 4407.79)(579.6622, 2472.57)(580.6674, 1038.31) 1 577.652 577.652@2.97017 + 1193.0818@3.0111127 3.0111127 (1194.089, 3021.88) 1 1193.0818 1193.0818@3.0111127 + 712.0595@3.0121112 3.0121112 (713.0668, 23936.9)(714.0657, 1518.77)(715.064, 20083.17)(716.0629, 1047.1)(717.0611, 11351.89)(718.0584, 620.86) 1 712.0595 712.0595@3.0121112 + 718.0512@3.01311 3.01311 (719.0585, 6179.18) 1 718.0512 718.0512@3.01311 + 399.1452@3.0550494 3.0550494 (400.1525, 1614.64) 1 399.1452 399.1452@3.0550494 + 515.2015@3.0560482 3.0560482 (516.2088, 1612.55) 1 515.2015 515.2015@3.0560482 + 278.0639@3.063038 3.063038 (279.0712, 2805.2)(280.079, 655.09) 1 278.0639 278.0639@3.063038 + 392.1258@3.0660338 3.0660338 (393.1344, 2066.24)(375.1204, 1544.02) 1 392.1258 392.1258@3.0660338 + 312.1183@3.0617673 3.0617673 (313.1261, 5806.37)(314.128, 1670.92)(315.1251, 936.98)(335.1078, 2090.24) 2 312.1183 312.1183@3.0617673 + 795.7305@3.0790148 3.0790148 (796.7377, 1119.72) 1 795.7305 795.7305@3.0790148 + 313.1736@3.0945878 3.0945878 (314.1812, 4180.37) 2 313.1736 313.1736@3.0945878 + 260.0826@3.1479123 3.1479123 (261.0898, 3073.01)(283.0721, 1865.58) 1 260.0826 260.0826@3.1479123 + 310.1081@3.1565428 3.1565428 (311.11548, 3068.7117)(293.10364, 2045.885) 6 310.1081 310.1081@3.1565428 + 470.1707@3.315649 3.315649 (471.1779, 1402.32) 1 470.1707 470.1707@3.315649 + 170.0694@3.3366146 3.3366146 (171.0766, 3963.41)(172.0723, 730.01) 1 170.0694 170.0694@3.3366146 + 216.1225@3.350086 3.350086 (217.1294, 4652.7)(218.13365, 1098.375) 2 216.1225 216.1225@3.350086 + 135.0356@3.373459 3.373459 (136.04274, 4657.3633)(137.0458, 1089.915)(158.02464, 2040.4634) 3 135.0356 135.0356@3.373459 + 395.1406@3.3610063 3.3610063 (396.14865, 3641.3398) 2 395.1406 395.1406@3.3610063 + 165.0667@3.3935542 3.3935542 (353.1261, 1098.81)(166.0737, 10746.38)(167.08096, 1158.16) 2 165.0667 165.0667@3.3935542 + 591.3648@3.4154828 3.4154828 (592.3721, 29333.05)(593.3753, 9803.25)(594.3762, 3382.33)(595.3742, 338.82) 1 591.3648 591.3648@3.4154828 + 373.2829@3.4246576 3.4246576 (374.2893, 2891.59)(375.2918, 919.46)(356.2767, 989.45)(396.2723, 1948.03)(397.275, 817.66) 2 373.2829 373.2829@3.4246576 + 206.0695@3.4274623 3.4274623 (207.0768, 18111.0) 1 206.0695 206.0695@3.4274623 + 559.3584@3.4578514 3.4578514 (560.364, 1647.095)(561.3722, 807.895)(562.37866, 981.92) 2 559.3584 559.3584@3.4578514 + 369.2174@3.4501119 3.4501119 (370.22455, 2075.3398)(371.2317, 1085.905) 2 369.2174 369.2174@3.4501119 + 378.0138@3.4833658 3.4833658 (379.0211, 1131.49) 1 378.0138 378.0138@3.4833658 + 368.032@3.4903533 3.4903533 (369.0387, 2810.98)(391.0218, 2011.17) 1 368.032 368.032@3.4903533 + 319.9544@3.500336 3.500336 (320.9616, 981.99) 1 319.9544 319.9544@3.500336 + 422.097@3.505327 3.505327 (423.1037, 2041.81)(445.0869, 1453.48) 1 422.097 422.097@3.505327 + 194.0694@3.5173059 3.5173059 (195.0767, 5777.89)(196.0873, 1477.39) 1 194.0694 194.0694@3.5173059 + 448.9992@3.5733917 3.5733917 (450.00626, 1327.0634) 3 448.9992 448.9992@3.5733917 + 330.0525@3.5769525 3.5769525 (331.0595, 2497.655) 2 330.0525 330.0525@3.5769525 + 208.0849@3.6141305 3.6141305 (209.0921, 16084.1)(210.1007, 1173.05) 1 208.0849 208.0849@3.6141305 + 270.0977@3.661043 3.661043 (271.105, 3255.7)(272.1078, 955.79) 1 270.0977 270.0977@3.661043 + 157.0744@3.6879463 3.6879463 (158.0833, 8106.043)(159.08665, 1028.762)(140.0707, 1738.51) 6 157.0744 157.0744@3.6879463 + 447.8323@3.6914585 3.6914585 (448.8397, 1418.9775) 4 447.8323 447.8323@3.6914585 + 345.1142@3.7359 3.7359 (346.1215, 2172.36)(347.1239, 790.64) 1 345.1142 345.1142@3.7359 + 566.4083@3.78687 3.78687 (567.4157, 1773.4452)(568.4162, 900.19) 6 566.4083 566.4083@3.78687 + 695.4919@3.7506404 3.7506404 (696.4988, 1358.105)(697.5019, 756.72) 2 695.4919 695.4919@3.7506404 + 811.5756@3.7882717 3.7882717 (812.582, 2296.09)(813.58636, 1083.27) 8 811.5756 811.5756@3.7882717 + 445.2887@3.8005018 3.8005018 (446.29584, 2177.75)(447.2889, 1203.5) 2 445.2887 445.2887@3.8005018 + 253.0826@3.827173 3.827173 (254.09094, 1912.52) 3 253.0826 253.0826@3.827173 + 693.4953@3.8630657 3.8630657 (694.5022, 1401.04)(695.50366, 828.08) 4 693.4953 693.4953@3.8630657 + 693.996@3.8566122 3.8566122 (695.00415, 1602.5101) 3 693.996 693.996@3.8566122 + 223.107@3.911547 3.911547 (224.1142, 6346.27)(225.1181, 1492.03) 1 223.107 223.107@3.911547 + 920.659@3.9680517 3.9680517 (921.6718, 1176.8633)(922.66797, 1079.26) 6 920.659 920.659@3.9680517 + 218.1426@3.9374928 3.9374928 (219.1498, 6038.98)(220.1433, 1061.77) 1 218.1426 218.1426@3.9374928 + 600.0963@3.9503362 3.9503362 (601.10394, 2354.4265)(602.1079, 1007.8467) 6 600.0963 600.0963@3.9503362 + 937.5681@3.9484696 3.9484696 (938.5754, 1269.42) 1 937.5681 937.5681@3.9484696 + 345.2513@4.023923 4.023923 (346.2585, 6450.815)(347.2613, 1739.695)(368.2403, 7008.4697)(369.24323, 1605.63) 2 345.2513 345.2513@4.023923 + 311.1953@4.047258 4.047258 (312.2026, 18598.14) 1 311.1953 311.1953@4.047258 + 291.0277@4.062225 4.062225 (292.035, 1406.24) 1 291.0277 291.0277@4.062225 + 595.4229@4.0911293 4.0911293 (596.4295, 1788.8099)(597.43585, 1116.43) 6 595.4229 595.4229@4.0911293 + 123.0318@4.197919 4.197919 (124.0391, 23390.71)(125.0423, 1988.48) 1 123.0318 123.0318@4.197919 + 707.1701@4.1952605 4.1952605 (708.1778, 1769.9833) 3 707.1701 707.1701@4.1952605 + 668.4761@4.196104 4.196104 (669.48376, 2362.53) 2 668.4761 668.4761@4.196104 + 563.599@4.21887 4.21887 (564.6063, 937.66) 1 563.599 563.599@4.21887 + 695.6419@4.2208652 4.2208652 (696.6492, 1043.47)(697.6535, 523.59) 1 695.6419 695.6419@4.2208652 + 603.0769@4.230842 4.230842 (604.0824, 990.06)(605.0853, 683.18)(626.0676, 1154.82) 1 603.0769 603.0769@4.230842 + 590.1451@4.232837 4.232837 (591.1524, 2100.0)(592.1527, 804.42)(613.1343, 1007.31) 1 590.1451 590.1451@4.232837 + 281.0406@4.225168 4.225168 (282.04852, 1712.7968) 3 281.0406 281.0406@4.225168 + 508.2457@4.2358303 4.2358303 (509.253, 1115.56) 1 508.2457 508.2457@4.2358303 + 266.071@4.2388234 4.2388234 (267.0783, 9702.31)(268.081, 1407.09) 1 266.071 266.071@4.2388234 + 143.0582@4.2683606 4.2683606 (144.06549, 6882.2197)(145.0721, 589.04) 2 143.0582 143.0582@4.2683606 + 314.1992@4.2777314 4.2777314 (315.2065, 3277.14) 1 314.1992 314.1992@4.2777314 + 165.0405@4.2827196 4.2827196 (353.0684, 596.77)(166.0491, 1681.86)(188.0295, 3994.9) 1 165.0405 165.0405@4.2827196 + 312.183@4.2828865 4.2828865 (313.1903, 3613.425)(314.19434, 1181.8049) 4 312.183 312.183@4.2828865 + 497.1911@4.312481 4.312481 (498.1993, 2252.312) 5 497.1911 497.1911@4.312481 + 353.2179@4.3226237 4.3226237 (354.2252, 1760.89) 1 353.2179 353.2179@4.3226237 + 369.2364@4.3252726 4.3252726 (370.244, 3667.1821)(371.24292, 1189.96) 5 369.2364 369.2364@4.3252726 + 288.2855@4.3465657 4.3465657 (289.2928, 4359.88) 1 288.2855 288.2855@4.3465657 + 295.1989@4.533559 4.533559 (296.2067, 1851.9567)(297.20685, 1029.755) 3 295.1989 295.1989@4.533559 + 677.841@4.5929036 4.5929036 (678.8479, 3022.43)(679.8489, 534.0) 5 677.841 677.841@4.5929036 + 532.3188@4.592526 4.592526 (533.3255, 3806.937)(534.32983, 1585.5016)(535.335, 4203.98)(536.3381, 1707.27) 7 532.3188 532.3188@4.592526 + 290.098@4.611856 4.611856 (291.10504, 4106.615)(292.11, 858.7) 2 290.098 290.098@4.611856 + 403.3041@4.6248937 4.6248937 (404.31125, 4669.81)(405.31345, 1410.96) 2 403.3041 403.3041@4.6248937 + 401.289@4.6278853 4.6278853 (402.2955, 4155.28)(403.2962, 1080.48) 2 401.289 401.289@4.6278853 + 372.1222@4.6044497 4.6044497 (373.1297, 2618.45)(374.13348, 832.635) 2 372.1222 372.1222@4.6044497 + 983.55@4.6398926 4.6398926 (984.5573, 4821.76)(985.56104, 1099.9285)(986.5555, 3958.772)(987.5581, 372.11) 9 983.55 983.55@4.6398926 + 476.828@4.638386 4.638386 (477.83496, 4412.4937)(478.8347, 728.69)(479.8324, 1678.17) 10 476.828 476.828@4.638386 + 889.5678@4.6507835 4.6507835 (890.5751, 1292.68) 1 889.5678 889.5678@4.6507835 + 704.932@4.728881 4.728881 (705.9388, 3775.355)(706.9415, 882.525) 2 704.932 704.932@4.728881 + 132.0683@4.7515063 4.7515063 (133.0755, 7155.82)(134.0788, 864.82) 1 132.0683 132.0683@4.7515063 + 537.2732@4.663881 4.663881 (1075.5538, 10373.33)(1076.5573, 6673.26)(1077.5575, 2973.16)(1078.5558, 953.03)(1092.58, 8361.51)(1093.5828, 4768.65)(1094.5826, 2553.34)(1095.5845, 776.55)(538.28064, 13717.287)(539.28467, 4267.214)(540.2843, 5363.19)(541.2843, 1110.81)(560.262, 3469.47)(561.2665, 1311.04) 5 537.2732 537.2732@4.663881 + 174.0793@4.760481 4.760481 (175.0866, 10942.37)(176.0916, 2022.46) 1 174.0793 174.0793@4.760481 + 215.1517@4.802106 4.802106 (216.15901, 3988.2876)(217.16125, 1154.1825) 4 215.1517 215.1517@4.802106 + 789.5291@4.8083463 4.8083463 (790.5363, 3126.76)(791.5395, 1372.83) 1 789.5291 789.5291@4.8083463 + 175.1568@4.8183174 4.8183174 (176.1641, 1000.17) 1 175.1568 175.1568@4.8183174 + 748.4564@4.8519907 4.8519907 (749.464, 2922.675)(750.4686, 1449.3225) 4 748.4564 748.4564@4.8519907 + 174.1004@4.9166045 4.9166045 (175.10771, 28451.584)(176.11157, 2863.9734)(177.1037, 8596.66)(178.1056, 1617.75) 6 174.1004 174.1004@4.9166045 + 274.0609@4.929992 4.929992 (275.0682, 1608.0) 1 274.0609 274.0609@4.929992 + 198.0772@4.9282794 4.9282794 (199.0846, 3301.1099)(200.08675, 806.11) 2 198.0772 198.0772@4.9282794 + 414.1114@4.9279313 4.9279313 (415.11832, 8094.35)(416.12198, 1948.3033)(417.11728, 3587.6902) 3 414.1114 414.1114@4.9279313 + 352.1897@4.933844 4.933844 (353.19678, 7091.7754)(354.2004, 1917.5499) 2 352.1897 352.1897@4.933844 + 242.0666@4.927839 4.927839 (243.074, 7003.0376)(244.07712, 1153.3582) 5 242.0666 242.0666@4.927839 + 234.0646@4.9359746 4.9359746 (235.0718, 3131.96) 1 234.0646 234.0646@4.9359746 + 748.4561@4.910738 4.910738 (749.464, 2853.4011)(750.4673, 1381.9874)(751.4684, 685.64) 9 748.4561 748.4561@4.910738 + 260.0413@4.973836 4.973836 (261.04834, 1993.105) 2 260.0413 260.0413@4.973836 + 476.2516@5.0087557 5.0087557 (477.2588, 4049.1)(478.2632, 1432.63) 1 476.2516 476.2516@5.0087557 + 682.4928@5.048006 5.048006 (683.49976, 1627.74) 2 682.4928 682.4928@5.048006 + 724.016@5.17125 5.17125 (725.0233, 1319.34) 1 724.016 724.016@5.17125 + 638.449@5.1881957 5.1881957 (639.4563, 1280.1) 1 638.449 638.449@5.1881957 + 265.1221@5.3257446 5.3257446 (266.1294, 2678.02)(267.1328, 1073.62) 1 265.1221 265.1221@5.3257446 + 348.1589@5.3272953 5.3272953 (349.16626, 3171.5498)(350.16934, 920.105) 2 348.1589 348.1589@5.3272953 + 423.1889@5.3686 5.3686 (424.1961, 4105.43)(425.2007, 857.93)(426.2054, 561.34) 1 423.1889 423.1889@5.3686 + 436.2206@5.405474 5.405474 (437.2279, 1435.03) 1 436.2206 436.2206@5.405474 + 1235.8492@5.4858465 5.4858465 (1236.8446, 2353.45)(1237.8636, 1758.34) 2 1235.8492 1235.8492@5.4858465 + 955.5064@5.4081206 5.4081206 (956.51514, 2095.9866)(957.5175, 1260.79)(958.5271, 949.68) 3 955.5064 955.5064@5.4081206 + 851.5799@5.4355445 5.4355445 (852.5962, 5813.547)(853.60443, 2260.6233) 3 851.5799 851.5799@5.4355445 + 937.5497@5.411394 5.411394 (938.5599, 3364.423)(939.5575, 2099.4648)(940.5474, 3058.2)(941.5477, 1782.43)(960.5383, 2610.71)(961.5384, 732.28) 3 937.5497 937.5497@5.411394 + 401.7722@5.4449887 5.4449887 (402.7792, 2075.5618)(403.78455, 775.52) 6 401.7722 401.7722@5.4449887 + 361.246@5.434329 5.434329 (362.25323, 4985.33)(363.25595, 1571.45)(384.2351, 1167.04) 2 361.246 361.246@5.434329 + 1251.8202@5.422187 5.422187 (1252.832, 1220.7051)(1253.8324, 1076.54)(1254.8247, 1253.58)(1255.8257, 578.96) 2 1251.8202 1251.8202@5.422187 + 1617.1075@5.447152 5.447152 (1618.1134, 1691.89)(1619.1094, 1663.4875)(1620.1144, 1574.97)(1621.116, 1309.72)(1622.1272, 1535.62)(1623.1321, 1435.89)(1624.1351, 1413.46) 4 1617.1075 1617.1075@5.447152 + 192.0898@5.440824 5.440824 (193.09698, 14429.025)(194.10075, 2059.9026) 4 192.0898 192.0898@5.440824 + 809.5193@5.4390693 5.4390693 (810.5274, 17301.463)(811.5308, 8559.367)(812.54175, 234102.88) 3 809.5193 809.5193@5.4390693 + 1245.3345@5.4422884 5.4422884 (1246.3383, 1809.1074)(1247.3395, 1401.1326)(1248.3356, 1255.4933)(1228.3319, 1918.82) 4 1245.3345 1245.3345@5.4422884 + 1265.8262@5.4487667 5.4487667 (1266.8317, 1054.5801)(1267.8293, 997.805)(1268.8292, 958.21497)(1288.8142, 809.01) 2 1265.8262 1265.8262@5.4487667 + 1225.8279@5.485699 5.485699 (1226.8394, 977.966)(1227.8365, 1002.99493)(1228.836, 1141.2133) 5 1225.8279 1225.8279@5.485699 + 812.5374@5.4467263 5.4467263 (813.5449, 124592.016)(814.5573, 109421.47)(815.5617, 45718.414) 4 812.5374 812.5374@5.4467263 + 1223.3274@5.438756 5.438756 (1224.3326, 1930.668)(1225.3394, 2062.7458)(1226.3434, 1926.7)(1227.3461, 1285.41)(1228.3315, 1185.28) 10 1223.3274 1223.3274@5.438756 + 1593.0997@5.4520664 5.4520664 (1594.1068, 2769.5999)(1595.1069, 2839.1335)(1596.1157, 3990.6965)(1597.1182, 2785.26)(1598.1267, 2067.69) 3 1593.0997 1593.0997@5.4520664 + C36 H63 N15 O3 5.456214 [ C36 H63 N15 O3, mfg=69.56, overall=34.78 ] (754.53827, 16018.412)(755.5369, 16004.33)(736.5205, 1461.02)(737.5251, 649.31) 17 753.5308 C36 H63 N15 O3 + 1202.8173@5.4656973 5.4656973 (1203.8273, 2486.2964)(1204.8307, 2086.8884)(1205.8356, 1633.604) 8 1202.8173 1202.8173@5.4656973 + 889.5603@5.453171 5.453171 (890.5697, 5355.858)(891.5718, 3584.1724)(872.5547, 18119.695)(873.5576, 8510.1)(912.55444, 3631.48)(913.55444, 2292.4849)(914.5636, 4167.13) 5 889.5603 889.5603@5.453171 + 824.043@5.4797945 5.4797945 (825.0547, 1143.31)(826.0584, 1117.51)(827.0614, 1355.72) 2 824.043 824.043@5.4797945 + 1257.8374@5.527896 5.527896 (1258.836, 1405.0172)(1259.8422, 1110.7775)(1260.8406, 1126.23) 7 1257.8374 1257.8374@5.527896 + 796.0437@5.496612 5.496612 (797.05334, 2026.956)(798.0558, 1068.136)(799.0554, 1061.38) 5 796.0437 796.0437@5.496612 + 910.5345@5.470321 5.470321 (911.545, 2387.0898)(912.5627, 1518.15) 3 910.5345 910.5345@5.470321 + 881.5624@5.4667478 5.4667478 (882.57306, 5423.405)(883.57465, 2598.5356)(884.5826, 2672.1475)(885.5902, 471.93)(886.5904, 1893.21) 7 881.5624 881.5624@5.4667478 + 857.58@5.48279 5.48279 (858.5896, 13050.02)(859.5945, 5507.675) 2 857.58 857.58@5.48279 + 809.5203@5.4865217 5.4865217 (810.5281, 22386.145)(811.53326, 11361.32) 2 809.5203 809.5203@5.4865217 + 823.5695@5.443338 5.443338 (1648.1282, 1323.42)(1649.1298, 1373.0)(1650.1288, 1368.8)(1651.1222, 778.81)(1652.1191, 681.15)(1670.1263, 1103.62)(1671.1235, 914.63)(824.5794, 13373.315)(825.5843, 6685.682)(826.5979, 12829.32)(827.5972, 9685.04)(828.608, 7866.66) 6 823.5695 823.5695@5.443338 + 1245.3344@5.541235 5.541235 (1246.3389, 2134.808)(1247.3463, 2837.452)(1248.353, 2692.25)(1249.3584, 1440.48)(1250.3661, 666.48)(1228.334, 1179.06)(1229.3383, 885.82)(1230.34, 1322.04)(1231.344, 0.0) 11 1245.3344 1245.3344@5.541235 + 883.6366@5.463974 5.463974 (884.64294, 2216.386)(885.6454, 1193.848)(886.6416, 1427.4967)(887.64014, 853.51) 5 883.6366 883.6366@5.463974 + 1208.3372@5.478931 5.478931 (1209.3424, 5087.2407)(1210.3485, 4585.051)(1211.3538, 3566.58) 11 1208.3372 1208.3372@5.478931 + 400.3411@5.5011024 5.5011024 (401.3483, 2285.7366)(402.35306, 948.9016) 6 400.3411 400.3411@5.5011024 + 1257.3422@5.4416685 5.4416685 (1258.3384, 1229.4525)(1259.3436, 1329.0634)(1260.3341, 1318.1632)(1240.3312, 1384.34) 4 1257.3422 1257.3422@5.4416685 + 1195.8322@5.488241 5.488241 (1196.8387, 5001.2593)(1197.8474, 5660.887)(1198.8524, 3314.82)(1199.8586, 1990.28) 11 1195.8322 1195.8322@5.488241 + 1578.1196@5.507095 5.507095 (1579.1289, 1598.9451)(1580.1278, 1629.34)(1581.1217, 1461.5) 4 1578.1196 1578.1196@5.507095 + 1190.3235@5.499979 5.499979 (1191.3328, 1476.59)(1192.3357, 1856.1799)(1193.3381, 2366.61) 2 1190.3235 1190.3235@5.499979 + 1178.8262@5.5205994 5.5205994 (1179.832, 1681.7125)(1180.839, 1885.1099)(1181.8424, 1779.0865)(1182.8337, 522.1) 4 1178.8262 1178.8262@5.5205994 + 751.5111@5.50519 5.50519 (752.51733, 2701.8)(753.51935, 2052.918) 8 751.5111 751.5111@5.50519 + 1581.1267@5.5125413 5.5125413 (1582.13, 1848.05)(1583.1348, 1459.7261)(1584.1309, 1355.662)(1585.1328, 722.115)(1564.1238, 6885.5703)(1565.1292, 6565.6)(1566.139, 9545.46) 5 1581.1267 1581.1267@5.5125413 + 346.1429@5.521071 5.521071 (347.1501, 4028.44)(348.1533, 1287.16) 1 346.1429 346.1429@5.521071 + 1105.7198@5.5250573 5.5250573 (1106.727, 1970.8)(1107.7316, 1408.11)(1108.7329, 646.12) 1 1105.7198 1105.7198@5.5250573 + 1549.6031@5.523224 5.523224 (1550.6117, 1739.5365)(1551.6188, 2656.8372)(1552.6255, 2305.6143)(1553.6309, 1159.0657) 12 1549.6031 1549.6031@5.523224 + 1223.3585@5.523025 5.523025 (1224.3589, 1921.7019)(1225.3577, 1351.9401)(1226.3506, 1172.3033)(1246.3341, 1740.78)(1247.341, 1485.94)(1248.3427, 1275.35) 5 1223.3585 1223.3585@5.523025 + 1283.846@5.539092 5.539092 (1284.8527, 1912.0249)(1285.8569, 1447.14)(1286.8661, 1003.21)(1306.8336, 1301.565)(1307.8381, 1175.25)(1308.8423, 1244.92) 4 1283.846 1283.846@5.539092 + 559.3379@5.536486 5.536486 (560.3453, 2281.845)(561.3521, 939.76337) 4 559.3379 559.3379@5.536486 + 1232.8268@5.54164 5.54164 (1233.8345, 3757.32)(1234.8413, 2413.945)(1235.85, 2985.7852) 2 1232.8268 1232.8268@5.54164 + 814.0584@5.532248 5.532248 (815.0703, 1434.895)(816.0657, 767.93) 4 814.0584 814.0584@5.532248 + 926.6789@5.5504293 5.5504293 (927.6841, 1186.646)(928.6831, 1029.47)(929.6697, 895.15) 5 926.6789 926.6789@5.5504293 + 936.5528@5.555273 5.555273 (937.55914, 1950.885)(938.56445, 1595.385)(939.5624, 1490.84)(919.5512, 3663.32)(920.5559, 3518.27)(921.5579, 5694.86)(922.5625, 3222.3)(923.5652, 1638.28) 2 936.5528 936.5528@5.555273 + 115.0996@5.541943 5.541943 (116.10688, 23767.256)(117.1065, 1917.4451)(98.096146, 3487.38) 4 115.0996 115.0996@5.541943 + 1295.3362@5.574622 5.574622 (1296.3418, 1237.335)(1297.3458, 983.49426)(1298.357, 1073.8317) 8 1295.3362 1295.3362@5.574622 + 419.2993@5.5449862 5.5449862 (420.3066, 4807.49)(421.3118, 1341.36) 1 419.2993 419.2993@5.5449862 + 503.2972@5.5463805 5.5463805 (504.30515, 6253.4067)(505.31015, 1564.9967) 3 503.2972 503.2972@5.5463805 + 325.2252@5.5444326 5.5444326 (326.23224, 5065.51)(327.23468, 1568.7749) 2 325.2252 325.2252@5.5444326 + 857.623@5.524013 5.524013 (858.6286, 10997.311)(859.6315, 5575.628)(860.6433, 7623.5635)(861.6489, 3514.0017)(862.64777, 1332.1666) 10 857.623 857.623@5.524013 + 1140.7888@5.5494146 5.5494146 (1141.7949, 3104.28)(1142.7997, 2261.6099)(1143.8019, 1228.67)(1163.7802, 880.22) 2 1140.7888 1140.7888@5.5494146 + 981.5877@5.5549507 5.5549507 (982.595, 1237.16)(983.5982, 818.02) 1 981.5877 981.5877@5.5549507 + 777.0366@5.5436606 5.5436606 (778.04865, 4731.5864)(779.0536, 1352.21)(795.0685, 7822.83)(796.0757, 4109.37)(797.0815, 1273.59) 3 777.0366 777.0366@5.5436606 + 886.094@5.5828505 5.5828505 (887.1005, 1018.69)(888.0995, 1006.76)(909.085, 666.85) 1 886.094 886.094@5.5828505 + 698.5706@5.5838466 5.5838466 (699.5779, 1729.32)(700.5791, 1176.36) 1 698.5706 698.5706@5.5838466 + 709.5615@5.5858393 5.5858393 (710.5688, 1368.78)(711.569, 1014.41) 1 709.5615 709.5615@5.5858393 + 397.0255@5.5770392 5.5770392 (795.063, 3958.58)(398.0329, 4601.4253)(399.03506, 744.8757)(400.02997, 1153.0042)(420.0148, 2595.1274)(421.0162, 669.84) 14 397.0255 397.0255@5.5770392 + 208.0849@5.586127 5.586127 (209.09187, 6415.3296)(210.09795, 1157.26) 3 208.0849 208.0849@5.586127 + 162.1156@5.5997887 5.5997887 (163.1228, 96448.45)(164.1262, 10048.32) 1 162.1156 162.1156@5.5997887 + 756.0978@5.6007857 5.6007857 (757.1067, 1529.13)(758.1079, 1062.18)(779.0838, 1041.17) 1 756.0978 756.0978@5.6007857 + 746.5652@5.601765 5.601765 (747.57196, 6848.09)(748.57086, 1862.6031)(749.5797, 753.15) 6 746.5652 746.5652@5.601765 + 904.5585@5.6137385 5.6137385 (905.5658, 86763.56)(906.569, 41060.04)(907.5771, 31329.86) 1 904.5585 904.5585@5.6137385 + 821.5877@5.5653496 5.5653496 (822.6019, 9498.439)(823.6166, 4647.925)(824.6127, 17786.07) 2 821.5877 821.5877@5.5653496 + 768.5526@5.6132803 5.6132803 (1538.1106, 2256.26)(1539.1138, 2109.96)(1540.1228, 2281.33)(1541.1267, 1461.62)(1542.1348, 1547.75)(1543.144, 751.02)(769.56195, 3100.58) 2 768.5526 768.5526@5.6132803 + 753.5276@5.608828 5.608828 (754.53687, 4909.674)(755.5366, 2084.3323)(736.5231, 3458.08)(737.5265, 1347.325)(738.5306, 618.49) 9 753.5276 753.5276@5.608828 + 958.529@5.609712 5.609712 (959.53534, 1287.5466)(960.541, 474.84)(961.5457, 862.08) 3 958.529 958.529@5.609712 + 960.5387@5.589166 5.589166 (961.54663, 1104.2899)(962.558, 638.15)(963.5587, 720.62)(943.53705, 5020.46)(944.54193, 2128.775)(945.5421, 1005.62) 3 960.5387 960.5387@5.589166 + 258.1079@5.6565814 5.6565814 (259.1152, 3255.61)(260.124, 862.32) 1 258.1079 258.1079@5.6565814 + 422.2416@5.6595707 5.6595707 (423.2489, 4134.87)(424.253, 1537.63) 1 422.2416 422.2416@5.6595707 + 405.1261@5.6612053 5.6612053 (406.13263, 2284.6401)(407.1351, 806.26) 2 405.1261 405.1261@5.6612053 + 796.0714@5.6834817 5.6834817 (797.0786, 1872.22)(798.0895, 1252.03) 1 796.0714 796.0714@5.6834817 + 909.5323@5.6964335 5.6964335 (910.5396, 3845.46)(911.5421, 1595.19)(912.5576, 3551.77)(913.5598, 1804.0)(914.5702, 2133.68) 1 909.5323 909.5323@5.6964335 + 846.6551@5.6823893 5.6823893 (847.66437, 3614.3928)(848.65643, 2030.6127)(849.6479, 1268.2201) 7 846.6551 846.6551@5.6823893 + 1256.8322@5.672869 5.672869 (1257.837, 1253.285)(1258.839, 1135.606)(1259.8467, 1410.6418)(1260.855, 1180.7401)(1261.8623, 1661.645)(1279.8179, 869.53503) 6 1256.8322 1256.8322@5.672869 + 187.0849@5.7372804 5.7372804 (188.0922, 2887.34) 1 187.0849 187.0849@5.7372804 + 165.0796@5.736673 5.736673 (166.08687, 9790.91)(167.08752, 1642.5067) 3 165.0796 165.0796@5.736673 + 143.0583@5.7542167 5.7542167 (144.0656, 5723.71) 1 143.0583 143.0583@5.7542167 + 336.2379@5.763182 5.763182 (337.2452, 1865.44)(338.2493, 718.85) 1 336.2379 336.2379@5.763182 + 368.1247@5.7858596 5.7858596 (369.1318, 4773.16)(370.1344, 1511.8833) 3 368.1247 368.1247@5.7858596 + 161.0014@5.811996 5.811996 (162.0095, 2260.07)(179.035, 5789.17) 1 161.0014 161.0014@5.811996 + 788.4389@5.833277 5.833277 (789.445, 1641.11)(790.4468, 1028.8367)(791.4428, 953.3) 3 788.4389 788.4389@5.833277 + 846.0549@5.822032 5.822032 (847.0593, 1394.165)(848.0631, 1015.565)(849.0652, 991.22003) 2 846.0549 846.0549@5.822032 + 893.5399@5.816033 5.816033 (894.5523, 3328.3767)(895.55304, 2016.5099)(896.5549, 2185.9268)(897.5587, 3529.97)(898.5606, 1732.81) 3 893.5399 893.5399@5.816033 + 782.0612@5.8149843 5.8149843 (783.0685, 11994.85)(784.0738, 2120.51) 1 782.0612 782.0612@5.8149843 + 816.0563@5.863476 5.863476 (817.0669, 2130.33)(818.06866, 1050.91)(819.0613, 1093.74) 3 816.0563 816.0563@5.863476 + 977.5317@5.8293157 5.8293157 (978.54443, 1263.2)(979.54834, 938.46204)(980.5541, 1103.365)(981.5438, 282.285)(982.5517, 998.85) 5 977.5317 977.5317@5.8293157 + 973.5176@5.8700037 5.8700037 (974.5177, 1273.685)(975.5143, 932.94)(976.5184, 1234.99)(956.5065, 1123.71)(957.5053, 1013.02) 2 973.5176 973.5176@5.8700037 + 811.35@5.832694 5.832694 (812.35754, 1715.0) 2 811.35 811.35@5.832694 + 879.336@5.83938 5.83938 (880.34283, 1408.8033)(881.3483, 880.53) 3 879.336 879.336@5.83938 + 572.8893@5.837896 5.837896 (573.8965, 2350.98) 1 572.8893 572.8893@5.837896 + 1150.7819@5.8359475 5.8359475 (1151.7891, 2178.625)(1152.7932, 740.55005) 8 1150.7819 1150.7819@5.8359475 + 1218.769@5.835463 5.835463 (1219.7765, 2092.1133)(1220.7838, 898.11) 3 1218.769 1218.769@5.835463 + 913.3282@5.8348317 5.8348317 (914.33514, 1837.6934) 3 913.3282 913.3282@5.8348317 + 1001.8357@5.8388233 5.8388233 (1002.843, 1754.37) 2 1001.8357 1001.8357@5.8388233 + 1069.822@5.8428764 5.8428764 (1070.8293, 1463.55) 1 1069.822 1069.822@5.8428764 + 887.4931@5.8508453 5.8508453 (888.5004, 1052.49)(889.5085, 610.22) 1 887.4931 887.4931@5.8508453 + 504.745@5.8518414 5.8518414 (505.7523, 1351.3)(506.7554, 801.97) 1 504.745 504.745@5.8518414 + 890.5769@5.8528376 5.8528376 (891.5842, 2233.53)(892.5862, 1545.07) 1 890.5769 890.5769@5.8528376 + 804.8403@5.8528376 5.8528376 (805.8475, 1479.88) 1 804.8403 804.8403@5.8528376 + 977.5272@5.893118 5.893118 (978.53326, 1168.34)(979.5352, 695.77)(960.5231, 2215.69) 3 977.5272 977.5272@5.893118 + 503.7391@5.8508406 5.8508406 (504.74548, 1901.865)(505.7522, 1408.41)(506.7456, 986.39) 2 503.7391 503.7391@5.8508406 + 821.59@5.923257 5.923257 (822.59656, 2445.0503)(823.5959, 1489.2435) 7 821.59 821.59@5.923257 + 829.0624@5.8298774 5.8298774 (830.0689, 3677.4268)(831.0718, 1616.6866)(832.0649, 626.02) 3 829.0624 829.0624@5.8298774 + 662.9466@5.8473735 5.8473735 (663.95386, 1860.0376)(664.95966, 1156.4532) 4 662.9466 662.9466@5.8473735 + 828.5498@5.873756 5.873756 (829.5571, 4886.55)(830.5543, 1389.48)(831.5643, 1058.16) 1 828.5498 828.5498@5.873756 + 845.5407@5.8797326 5.8797326 (846.548, 6764.87)(847.5511, 3140.9)(868.5299, 5030.73)(869.5335, 2312.99)(870.5465, 2196.83) 1 845.5407 845.5407@5.8797326 + 800.5376@5.894674 5.894674 (801.5449, 2452.04)(802.548, 1182.01)(803.5632, 1735.7) 1 800.5376 800.5376@5.894674 + 771.5207@5.9253373 5.9253373 (772.52606, 4195.2734)(773.53125, 1589.7949)(774.5289, 1426.03) 3 771.5207 771.5207@5.9253373 + 443.699@5.919575 5.919575 (444.7062, 1808.87) 1 443.699 443.699@5.919575 + 761.659@5.9146085 5.9146085 (762.66656, 2109.619)(763.66534, 795.2967)(764.6662, 1149.9867) 8 761.659 761.659@5.9146085 + 541.7245@5.9255514 5.9255514 (542.7318, 1899.6) 1 541.7245 541.7245@5.9255514 + 443.7869@5.915634 5.915634 (444.79395, 1604.9099) 4 443.7869 443.7869@5.915634 + 165.9437@5.93352 5.93352 (166.951, 1316.78) 1 165.9437 165.9437@5.93352 + 881.4951@5.9287267 5.9287267 (882.5022, 5695.091)(883.5063, 2812.6404)(884.5088, 3562.6604)(885.5132, 3812.735)(886.534, 8336.89)(887.5429, 2429.85)(888.554, 5063.67) 18 881.4951 881.4951@5.9287267 + 192.9543@5.9584203 5.9584203 (193.9616, 5220.33) 1 192.9543 192.9543@5.9584203 + 508.0795@5.9594164 5.9594164 (509.0868, 6442.24)(510.092, 1030.02) 1 508.0795 508.0795@5.9594164 + 154.0726@5.958386 5.958386 (155.0799, 7579.346)(137.0693, 6985.6704) 3 154.0726 154.0726@5.958386 + 705.494@5.960438 5.960438 (706.49554, 2354.432)(707.49304, 1198.0481)(708.4785, 340.37)(728.4822, 3618.8098)(729.48804, 1809.1865)(730.4743, 1940.5349) 6 705.494 705.494@5.960438 + 434.9987@5.9593234 5.9593234 (436.00607, 1397.39) 3 434.9987 434.9987@5.9593234 + 915.5721@5.971404 5.971404 (916.58167, 1430.8674)(917.583, 734.1675) 4 915.5721 915.5721@5.971404 + 968.5231@5.9622693 5.9622693 (969.53156, 1430.86)(970.53705, 1369.63)(971.5075, 738.28)(991.5087, 1059.56)(992.5165, 898.69)(993.5164, 640.52) 3 968.5231 968.5231@5.9622693 + 370.0613@5.9653926 5.9653926 (371.0686, 2555.26) 1 370.0613 370.0613@5.9653926 + 741.4313@5.952203 5.952203 (742.44385, 2020.3945)(743.4456, 1091.8077)(764.4336, 1210.5967)(765.44214, 728.29)(766.4468, 2627.5999)(767.4505, 1062.3733)(768.44727, 1365.9166) 9 741.4313 741.4313@5.952203 + 687.3835@5.9569974 5.9569974 (688.3954, 2216.897)(689.3957, 1126.9772)(690.3755, 2877.634)(691.3823, 1166.6832) 7 687.3835 687.3835@5.9569974 + 176.9802@5.9646287 5.9646287 (177.98763, 3228.57) 3 176.9802 176.9802@5.9646287 + 997.5105@5.959435 5.959435 (998.51, 1105.325)(999.5089, 887.26)(980.50165, 1017.55005)(981.5354, 908.42)(982.5112, 1417.02)(983.5161, 822.13)(1020.4802, 658.31)(1021.4863, 633.68)(1022.4894, 670.24) 2 997.5105 997.5105@5.959435 + 1003.4716@5.9640317 5.9640317 (1004.4815, 1372.8585)(1005.4868, 869.32715)(1006.4956, 1154.0985)(1007.5021, 728.56)(1008.5098, 809.23) 7 1003.4716 1003.4716@5.9640317 + 977.5338@5.9672956 5.9672956 (978.5414, 1199.72)(979.54846, 708.58496)(1000.52094, 1384.05)(1001.5155, 779.84)(1002.5321, 666.89) 2 977.5338 977.5338@5.9672956 + 1019.6427@5.9618955 5.9618955 (1020.6513, 1537.9025)(1021.63696, 971.8367) 4 1019.6427 1019.6427@5.9618955 + 937.4961@5.959732 5.959732 (938.5, 1785.5557)(939.5027, 1121.3724)(940.5041, 3669.68)(941.50854, 2163.299)(942.5199, 2458.32)(955.535, 1244.79) 12 937.4961 937.4961@5.959732 + 921.4999@5.960136 5.960136 (922.4978, 1895.7568)(923.5004, 1244.4967)(924.5107, 3744.4248)(925.5134, 2187.381)(926.5216, 2975.139)(927.5262, 1029.8059)(928.54034, 2150.418) 12 921.4999 921.4999@5.960136 + 958.5205@5.961638 5.961638 (959.5203, 1322.804)(960.531, 536.35004)(961.5334, 956.75)(981.515, 755.96) 5 958.5205 958.5205@5.961638 + 779.4207@5.96323 5.96323 (780.42944, 1397.9316)(781.42395, 872.492)(782.43634, 3015.8481)(783.4401, 1686.9801)(784.42914, 1973.1151)(802.4105, 767.005) 6 779.4207 779.4207@5.96323 + 948.6218@5.96776 5.96776 (949.6274, 1308.5875)(950.6312, 761.945) 4 948.6218 948.6218@5.96776 + 1036.5876@5.9632893 5.9632893 (1037.5961, 1654.765)(1038.5996, 1035.9199)(1039.6204, 1421.06)(1040.6151, 782.28) 6 1036.5876 1036.5876@5.9632893 + 745.597@5.945959 5.945959 (746.6034, 2560.24)(747.6061, 1333.8926)(748.5915, 820.19)(768.58496, 1152.7)(769.5703, 947.27)(770.603, 724.46) 4 745.597 745.597@5.945959 + 811.6071@5.9483237 5.9483237 (812.6135, 3486.2766)(813.6174, 1756.8334)(814.6307, 5672.1367)(815.6346, 3555.0498)(816.6341, 2162.6533)(817.6301, 596.3467)(818.6351, 3017.64)(834.593, 2112.78)(835.59344, 910.88)(836.592, 1652.365)(837.6082, 688.51)(838.6217, 253.22) 6 811.6071 811.6071@5.9483237 + 889.5128@5.917481 5.917481 (890.5184, 3580.498)(891.5254, 2407.874)(892.5361, 6165.73)(893.5403, 3536.9)(894.5425, 2388.09) 5 889.5128 889.5128@5.917481 + 586.9474@5.9723644 5.9723644 (587.9547, 1082.74) 1 586.9474 586.9474@5.9723644 + 936.5439@5.9684916 5.9684916 (937.5503, 1558.0549)(938.55396, 779.7)(939.5605, 1150.05)(919.5371, 3359.69)(959.5227, 1923.17)(960.5308, 1270.75)(961.5279, 871.26) 2 936.5439 936.5439@5.9684916 + 975.643@5.966959 5.966959 (976.6504, 2797.302)(977.65125, 1031.9911) 9 975.643 975.643@5.966959 + 696.434@5.975353 5.975353 (697.4395, 1087.56)(714.4683, 1983.89)(715.4723, 971.13) 1 696.434 696.434@5.975353 + 342.1831@5.9763484 5.9763484 (343.1904, 1547.52) 1 342.1831 342.1831@5.9763484 + 968.6189@5.9674873 5.9674873 (969.6262, 2910.1853)(970.6293, 1790.9983)(971.63055, 1005.51166)(991.6177, 1325.78)(992.6227, 759.91) 19 968.6189 968.6189@5.9674873 + 677.4629@5.9772544 5.9772544 (678.4702, 12632.165)(679.4732, 5768.1)(700.4532, 4808.31)(701.4548, 2790.22)(702.4589, 2350.73) 2 677.4629 677.4629@5.9772544 + 161.0061@5.976612 5.976612 (162.0137, 3880.8398) 3 161.0061 161.0061@5.976612 + 178.1106@5.9992557 5.9992557 (179.1178, 41874.61)(180.1212, 4911.28)(181.1261, 810.4) 1 178.1106 178.1106@5.9992557 + 198.0794@6.002244 6.002244 (199.0867, 4594.5)(200.0908, 1170.63) 1 198.0794 198.0794@6.002244 + 915.5786@6.0042357 6.0042357 (916.5859, 1345.23)(917.5843, 1066.81) 1 915.5786 915.5786@6.0042357 + 434.9979@6.0052314 6.0052314 (436.0052, 995.71) 1 434.9979 434.9979@6.0052314 + 134.1133@6.016187 6.016187 (135.1206, 25106.37)(136.1223, 1725.88) 1 134.1133 134.1133@6.016187 + 791.5646@6.0410857 6.0410857 (792.5703, 1192.24)(814.5574, 700.43) 1 791.5646 791.5646@6.0410857 + 160.0999@6.0500484 6.0500484 (161.1072, 32261.79)(162.1132, 2912.55) 1 160.0999 160.0999@6.0500484 + 191.0328@6.0938997 6.0938997 (192.03978, 2343.155) 4 191.0328 191.0328@6.0938997 + 328.1348@6.106814 6.106814 (329.1421, 8465.0) 1 328.1348 328.1348@6.106814 + 677.4632@6.1078095 6.1078095 (678.4705, 8093.89)(679.4741, 3010.81) 1 677.4632 677.4632@6.1078095 + 971.4961@6.1127887 6.1127887 (972.5034, 2590.91)(973.5101, 1744.9)(974.5194, 1684.21) 1 971.4961 971.4961@6.1127887 + 346.143@6.133808 6.133808 (347.1501, 2832.0847)(348.15332, 893.74664) 4 346.143 346.143@6.133808 + 297.1476@6.1556087 6.1556087 (298.1548, 2526.89)(299.1551, 851.29) 1 297.1476 297.1476@6.1556087 + 197.967@6.1635747 6.1635747 (198.9743, 1516.71) 1 197.967 197.967@6.1635747 + 532.0967@6.1175117 6.1175117 (533.104, 1868.3988) 8 532.0967 532.0967@6.1175117 + 743.3936@6.1785116 6.1785116 (744.4009, 1059.3)(745.417, 688.19) 1 743.3936 743.3936@6.1785116 + 587.2501@6.1795073 6.1795073 (588.2573, 1013.74) 1 587.2501 587.2501@6.1795073 + 739.4068@6.1233425 6.1233425 (740.41327, 7358.265)(741.4155, 3335.7598)(742.4211, 1787.995) 6 739.4068 739.4068@6.1233425 + 828.5298@6.1824946 6.1824946 (829.5371, 1857.65) 1 828.5298 828.5298@6.1824946 + 1078.5876@6.1824946 6.1824946 (1079.5948, 794.64)(1080.5955, 690.37)(1081.6144, 760.42) 1 1078.5876 1078.5876@6.1824946 + 677.4627@6.1756525 6.1756525 (678.4708, 8208.25)(679.4756, 1624.68)(680.4791, 1166.59)(700.4505, 7175.31)(701.4529, 2555.695)(702.4518, 2227.6) 2 677.4627 677.4627@6.1756525 + 191.0329@6.184093 6.184093 (192.04001, 1760.69) 2 191.0329 191.0329@6.184093 + 959.5289@6.1844864 6.1844864 (960.5335, 1550.46)(961.5249, 993.0)(962.5416, 1142.08)(982.5217, 1246.28) 1 959.5289 959.5289@6.1844864 + 958.5208@6.180489 6.180489 (959.52655, 1152.725)(960.5304, 767.908)(961.51514, 759.805) 6 958.5208 958.5208@6.180489 + 815.5602@6.185482 6.185482 (816.5678, 1795.28)(838.5494, 2069.64)(839.5482, 1005.42)(840.5608, 1453.46)(841.5594, 751.74) 1 815.5602 815.5602@6.185482 + 859.5201@6.1864777 6.1864777 (860.5283, 2188.11)(861.5291, 1798.14)(842.5148, 1915.16)(843.5179, 1311.8)(844.5332, 3452.9)(845.5357, 1857.16)(882.5098, 2435.8)(883.5143, 1979.77)(884.5268, 5745.27)(885.5299, 3305.92) 1 859.5201 859.5201@6.1864777 + 567.1574@6.1874733 6.1874733 (568.1615, 1130.38)(550.1555, 2050.81)(551.1589, 810.68) 1 567.1574 567.1574@6.1874733 + 953.5304@6.179063 6.179063 (954.53406, 2261.995)(955.5191, 1108.02)(956.5106, 4236.955)(957.51355, 2639.54)(958.52026, 2804.2998)(959.5309, 1546.63)(960.5361, 1536.88) 2 953.5304 953.5304@6.179063 + 829.5433@6.188469 6.188469 (830.5527, 2541.46)(831.556, 1334.66)(812.5377, 1607.28)(813.5441, 1382.37)(814.5517, 1393.75)(815.5546, 265.29) 1 829.5433 829.5433@6.188469 + 968.5303@6.188469 6.188469 (969.5376, 1771.71)(970.5397, 1496.11) 1 968.5303 968.5303@6.188469 + 893.5324@6.190461 6.190461 (894.5408, 3741.26)(895.5451, 1571.97)(896.5531, 4266.94)(897.5544, 1555.17)(898.5647, 1344.21)(916.5194, 2320.09)(917.5239, 1200.02)(918.5337, 4633.47)(919.5377, 3985.7)(920.5499, 2947.52) 1 893.5324 893.5324@6.190461 + 661.3547@6.2001038 6.2001038 (662.3617, 1451.865)(663.36487, 631.05)(664.3613, 1391.13)(665.3716, 595.56)(666.3943, 846.24) 2 661.3547 661.3547@6.2001038 + 239.0266@6.197431 6.197431 (240.0362, 1693.55)(262.0144, 1792.67) 1 239.0266 239.0266@6.197431 + 822.4394@6.2047 6.2047 (823.44745, 2265.1628)(824.45593, 1471.34) 7 822.4394 822.4394@6.2047 + 102.0318@6.212367 6.212367 (103.0391, 3471.43) 1 102.0318 102.0318@6.212367 + 310.1724@6.2143583 6.2143583 (311.1796, 7485.59)(312.1786, 1579.72) 1 310.1724 310.1724@6.2143583 + 339.241@6.2213283 6.2213283 (340.2483, 1573.68) 1 339.241 339.241@6.2213283 + 882.5074@6.2253113 6.2253113 (883.5147, 1324.27) 1 882.5074 882.5074@6.2253113 + 728.4381@6.2776327 6.2776327 (729.44745, 2052.185) 2 728.4381 728.4381@6.2776327 + 439.3284@6.2451897 6.2451897 (440.33655, 2283.91)(441.33826, 1016.2266) 3 439.3284 439.3284@6.2451897 + 636.4207@6.3063793 6.3063793 (637.42755, 2961.9065)(638.4269, 1211.13) 3 636.4207 636.4207@6.3063793 + 129.0426@6.3069563 6.3069563 (130.0499, 5504.0) 1 129.0426 129.0426@6.3069563 + 541.3158@6.310939 6.310939 (542.3231, 1270.63) 1 541.3158 541.3158@6.310939 + 921.612@6.3149214 6.3149214 (922.6193, 872.7)(923.6334, 834.57)(924.6323, 1433.05) 1 921.612 921.612@6.3149214 + 148.0999@6.315917 6.315917 (149.1072, 25503.96)(150.1121, 6597.53) 1 148.0999 148.0999@6.315917 + 819.4562@6.315022 6.315022 (820.46497, 3230.4214)(821.4678, 1836.2756)(822.4733, 1253.9917)(842.4476, 1524.4474)(843.4519, 1221.51)(844.4504, 1225.18) 8 819.4562 819.4562@6.315022 + 841.4392@6.3136673 6.3136673 (842.44635, 2288.01)(843.448, 998.095)(844.4577, 690.12) 2 841.4392 841.4392@6.3136673 + 923.5717@6.314572 6.314572 (924.5773, 4680.99)(925.5812, 2485.8298)(926.5797, 2688.89)(946.562, 1824.2351)(947.56396, 1400.06)(948.5731, 1458.625) 4 923.5717 923.5717@6.314572 + 627.2412@6.319899 6.319899 (628.2485, 1731.39)(650.2301, 727.0) 1 627.2412 627.2412@6.319899 + 860.5957@6.3108764 6.3108764 (861.60144, 2438.4524)(862.6106, 3417.46)(863.6171, 1600.81)(883.5839, 2542.09) 4 860.5957 860.5957@6.3108764 + 904.5497@6.3208947 6.3208947 (905.5572, 3345.37)(887.5462, 4816.68) 1 904.5497 904.5497@6.3208947 + 929.5605@6.326607 6.326607 (930.5654, 2172.1133)(931.56903, 1463.0865)(932.5782, 2328.22)(912.5568, 2953.59)(913.5569, 1796.13)(914.5715, 2501.03)(915.5761, 1079.07)(916.584, 1411.23) 3 929.5605 929.5605@6.326607 + 405.1579@6.321891 6.321891 (406.1653, 1686.31)(428.1467, 1157.27) 1 405.1579 405.1579@6.321891 + 587.2487@6.322886 6.322886 (588.256, 2519.75)(589.2594, 1058.04)(590.2712, 1064.85) 1 587.2487 587.2487@6.322886 + 932.5801@6.322886 6.322886 (933.5873, 1371.28) 1 932.5801 932.5801@6.322886 + 880.5512@6.2925086 6.2925086 (881.5594, 2881.86)(882.5755, 2494.6633)(883.5784, 1732.69)(903.5412, 2953.69) 3 880.5512 880.5512@6.2925086 + 999.5253@6.322886 6.322886 (1000.5326, 1636.1)(1001.5435, 1107.73)(1002.55, 1526.3) 1 999.5253 999.5253@6.322886 + 809.5889@6.318757 6.318757 (810.5961, 9006.205)(811.6011, 3501.34)(812.6137, 2707.3) 2 809.5889 809.5889@6.318757 + 789.5493@6.3238816 6.3238816 (790.5576, 2853.19)(791.5605, 1658.15)(792.5699, 2547.14)(812.5342, 1000.69) 1 789.5493 789.5493@6.3238816 + 905.5608@6.2747116 6.2747116 (906.5684, 2216.04)(907.57245, 1459.48)(908.58466, 2771.1736)(909.5836, 2147.1099)(888.5577, 4675.33)(889.5598, 2185.15)(890.5711, 3186.13)(891.5755, 1509.56)(892.5804, 2365.07) 3 905.5608 905.5608@6.2747116 + 959.5347@6.3238816 6.3238816 (960.5439, 2423.77)(961.5502, 1214.28)(962.5579, 1409.8)(982.5205, 1609.57)(983.5208, 985.71)(984.5339, 2279.27)(985.5344, 1646.08)(986.5373, 889.74) 1 959.5347 959.5347@6.3238816 + 1005.505@6.254244 6.254244 (1006.51154, 818.05005)(1007.5163, 760.91)(1008.5351, 764.51)(988.5021, 1760.65)(989.506, 779.66504)(990.51575, 1258.6951) 2 1005.505 1005.505@6.254244 + 968.5337@6.3238816 6.3238816 (969.5421, 1990.73)(970.5362, 1764.9)(971.5187, 1068.87)(991.5201, 959.78)(992.5289, 1121.17) 1 968.5337 968.5337@6.3238816 + 943.5404@6.2425575 6.2425575 (944.5515, 1681.2367)(945.5598, 1178.655)(946.5631, 3194.82)(947.565, 1320.31)(948.5738, 2156.13)(949.5789, 599.35) 3 943.5404 943.5404@6.2425575 + 925.5257@6.3248773 6.3248773 (926.5345, 3705.3)(927.5409, 2461.31)(928.5509, 3669.27)(948.5124, 2270.69)(949.5141, 1412.0)(950.5258, 4602.61)(951.5294, 2932.75)(952.5413, 4232.34) 1 925.5257 925.5257@6.3248773 + 971.4996@6.3228235 6.3228235 (972.50745, 1956.6599)(973.5105, 1124.43)(974.52136, 1927.47)(975.5249, 1386.41)(976.5394, 1978.3)(977.535, 861.11)(978.5528, 1246.39) 2 971.4996 971.4996@6.3228235 + 928.5489@6.3248773 6.3248773 (929.5562, 2160.88) 1 928.5489 928.5489@6.3248773 + 875.5218@6.322084 6.322084 (876.5296, 3510.3801)(877.533, 2280.3098)(878.545, 6182.15)(879.549, 3680.4333)(880.5579, 5426.763)(881.5611, 1154.54)(882.5799, 2293.15)(898.5081, 2767.4434)(899.51495, 2041.1001)(900.5222, 5068.71)(901.52576, 2461.375)(902.5376, 7987.36)(903.5427, 4862.61)(904.5529, 6093.69) 3 875.5218 875.5218@6.322084 + 913.4964@6.275489 6.275489 (914.5034, 1822.7251)(915.5119, 1330.52)(916.518, 4005.16)(917.5234, 1833.68)(918.534, 9202.71) 2 913.4964 913.4964@6.275489 + 843.4506@6.2562613 6.2562613 (844.4684, 7764.245)(845.4583, 5808.98)(846.4606, 1784.35)(826.4653, 1597.74)(827.4684, 614.09)(828.4583, 1145.93) 2 843.4506 843.4506@6.2562613 + 891.5239@6.3153644 6.3153644 (892.53174, 4728.643)(893.54095, 2638.7034)(894.544, 3998.8567)(895.5468, 2158.84)(896.5543, 6793.04) 3 891.5239 891.5239@6.3153644 + 963.558@6.325873 6.325873 (964.5653, 2048.5)(965.5715, 1381.03) 1 963.558 963.558@6.325873 + 706.4614@6.325873 6.325873 (707.4687, 3420.49)(708.477, 3768.54)(709.4748, 1546.56) 1 706.4614 706.4614@6.325873 + 897.5677@6.283814 6.283814 (898.57275, 2925.5867)(899.57733, 1648.1167)(900.59033, 2135.01)(901.5948, 1853.05)(880.5581, 2223.69)(881.5556, 1508.47)(882.5768, 3258.95)(883.5779, 1760.01)(920.5442, 1380.06)(921.5339, 725.77) 3 897.5677 897.5677@6.283814 + 942.5252@6.325873 6.325873 (943.5325, 1937.47) 1 942.5252 942.5252@6.325873 + 791.4577@6.326868 6.326868 (792.465, 1717.44)(793.4731, 671.27)(794.4571, 1163.43) 1 791.4577 791.4577@6.326868 + 577.3372@6.326868 6.326868 (578.3436, 1542.2)(579.3592, 623.83)(600.3302, 959.86) 1 577.3372 577.3372@6.326868 + 910.5362@6.326868 6.326868 (911.5435, 2334.53) 1 910.5362 910.5362@6.326868 + 803.5295@6.32886 6.32886 (804.5368, 1599.91)(805.534, 808.01) 1 803.5295 803.5295@6.32886 + 857.5752@6.34724 6.34724 (858.5824, 7734.814)(859.58594, 4406.0796)(860.59784, 5327.4004) 5 857.5752 857.5752@6.34724 + 708.4027@6.3560753 6.3560753 (709.40894, 1308.5449)(710.4147, 1096.94) 2 708.4027 708.4027@6.3560753 + 805.4707@6.3218246 6.3218246 (806.4785, 2056.38)(807.48236, 1306.355)(808.4691, 1948.785)(809.4656, 1047.79)(810.4557, 1538.53) 2 805.4707 805.4707@6.3218246 + 840.6373@6.3298554 6.3298554 (841.6446, 609.62)(842.6264, 612.01) 1 840.6373 840.6373@6.3298554 + 836.454@6.331221 6.331221 (837.4622, 2229.0767)(838.4696, 1483.475)(839.471, 1100.65) 3 836.454 836.454@6.331221 + 695.4123@6.3266983 6.3266983 (696.4193, 3354.0762)(697.42676, 1700.178)(698.4004, 40917.96) 5 695.4123 695.4123@6.3266983 + 698.3968@6.3358755 6.3358755 (699.4042, 16290.061)(700.41675, 11347.925)(701.4208, 4179.56) 2 698.3968 698.3968@6.3358755 + 154.1216@6.353749 6.353749 (155.1289, 13409.93) 1 154.1216 154.1216@6.353749 + 959.5856@6.360665 6.360665 (960.5919, 1570.575)(961.5938, 756.6) 2 959.5856 959.5856@6.360665 + 176.0955@6.366691 6.366691 (177.1028, 5798.73)(178.1071, 1279.7) 1 176.0955 176.0955@6.366691 + 663.4111@6.415927 6.415927 (664.41833, 19986.703)(665.4221, 7795.994)(666.4326, 2049.16)(681.4517, 3243.39)(686.40137, 2506.93)(687.4052, 1099.86) 8 663.4111 663.4111@6.415927 + 575.2854@6.423436 6.423436 (576.2927, 1455.99)(577.2968, 746.9) 1 575.2854 575.2854@6.423436 + 384.1988@6.425578 6.425578 (385.20514, 1527.48)(402.2326, 21619.92)(403.236, 4942.84)(404.2424, 943.2)(407.1889, 2342.98)(408.1896, 893.38) 2 384.1988 384.1988@6.425578 + 205.111@6.4589143 6.4589143 (206.11794, 4542.315)(207.11995, 1042.8237) 8 205.111 205.111@6.4589143 + 146.0399@6.451813 6.451813 (147.04755, 2775.655) 2 146.0399 146.0399@6.451813 + 277.1179@6.500086 6.500086 (278.1252, 3774.11)(279.1307, 1229.32) 1 277.1179 277.1179@6.500086 + 714.457@6.538716 6.538716 (715.4632, 2070.3342)(716.4488, 1277.1025)(717.4502, 1443.335) 7 714.457 714.457@6.538716 + 751.4315@6.5606737 6.5606737 (752.4378, 2784.42)(753.44226, 1397.025) 2 751.4315 751.4315@6.5606737 + 606.2918@6.641228 6.641228 (607.29944, 1379.7201)(608.30475, 944.665) 3 606.2918 606.2918@6.641228 + 748.4001@6.6284823 6.6284823 (749.4074, 1747.02)(750.4116, 940.76) 1 748.4001 748.4001@6.6284823 + 227.0673@6.6274943 6.6274943 (228.07477, 3073.46)(229.0809, 903.36) 3 227.0673 227.0673@6.6274943 + 351.1079@6.630473 6.630473 (352.1151, 1712.24)(353.1201, 748.7) 1 351.1079 351.1079@6.630473 + 713.399@6.643411 6.643411 (714.4062, 1215.2) 1 713.399 713.399@6.643411 + 604.4188@6.6421413 6.6421413 (605.42615, 1747.77) 2 604.4188 604.4188@6.6421413 + 673.3928@6.649376 6.649376 (674.40356, 4552.269)(675.40857, 1882.0487)(676.4133, 2369.7175)(677.4129, 356.975)(656.3909, 1309.22)(657.3894, 642.98) 8 673.3928 673.3928@6.649376 + 708.3895@6.6503778 6.6503778 (709.3967, 2467.34)(710.4149, 905.9) 1 708.3895 708.3895@6.6503778 + 921.4985@6.655354 6.655354 (922.5058, 727.75)(923.4996, 743.4)(924.5216, 2212.8)(925.5263, 1257.35)(926.5378, 1778.87) 1 921.4985 921.4985@6.655354 + 958.5227@6.685627 6.685627 (959.53284, 1222.135)(960.53955, 732.915)(961.5413, 773.26) 2 958.5227 958.5227@6.685627 + 801.4355@6.598004 6.598004 (802.4507, 973.99)(803.4552, 740.295) 2 801.4355 801.4355@6.598004 + 544.8395@6.6584806 6.6584806 (545.847, 6133.0815) 7 544.8395 544.8395@6.6584806 + 767.4375@6.6555786 6.6555786 (768.44666, 1876.0125)(769.4534, 1057.1075)(770.4293, 1727.055)(771.4431, 492.55) 4 767.4375 767.4375@6.6555786 + 810.5932@6.653766 6.653766 (811.60034, 2861.9944)(812.608, 1079.705)(813.6078, 676.47) 9 810.5932 810.5932@6.653766 + 805.0106@6.6616793 6.6616793 (806.0182, 3502.4836)(807.02515, 2939.28)(808.0024, 2167.03) 5 805.0106 805.0106@6.6616793 + 736.3705@6.6697173 6.6697173 (737.38007, 2014.325)(759.3585, 3299.0)(760.3653, 1708.69)(761.3778, 2761.93) 2 736.3705 736.3705@6.6697173 + 105.1182@6.6782436 6.6782436 (106.1254, 1609.52) 1 105.1182 105.1182@6.6782436 + 271.1779@6.6648736 6.6648736 (272.18518, 3018.7698)(273.1857, 830.96) 3 271.1779 271.1779@6.6648736 + C25 H53 N6 O2 S4 6.6959205 [ C25 H53 N6 O2 S4, mfg=76.05, overall=76.05 ] (598.3153, 7405.137)(599.31854, 2683.227)(600.3269, 2343.07) 16 597.3093 C25 H53 N6 O2 S4 + 712.4062@6.693097 6.693097 (713.4121, 1978.985)(714.4059, 1554.4751)(715.4228, 2378.09) 2 712.4062 712.4062@6.693097 + 207.0564@6.715937 6.715937 (208.06372, 6519.6304)(209.0672, 1280.45)(210.0645, 579.41)(230.0455, 2383.8052) 3 207.0564 207.0564@6.715937 + 770.3521@6.697152 6.697152 (771.3594, 2480.33)(772.3652, 1241.42) 1 770.3521 770.3521@6.697152 + 575.2417@6.702128 6.702128 (576.249, 1286.87) 1 575.2417 575.2417@6.702128 + 1118.724@6.7240024 6.7240024 (1119.7219, 2779.181)(1120.7223, 1692.9884)(1121.7285, 1599.6361)(1122.7465, 504.93)(1141.7064, 3922.6719)(1142.7087, 2474.496)(1143.7054, 1371.0125)(1144.7264, 703.19) 13 1118.724 1118.724@6.7240024 + 841.0109@6.7378106 6.7378106 (842.0129, 3291.7566)(843.0176, 1736.66)(844.0273, 1032.8) 3 841.0109 841.0109@6.7378106 + 801.6181@6.7083273 6.7083273 (802.6279, 1198.04)(803.6461, 561.9) 2 801.6181 801.6181@6.7083273 + 872.0034@6.7080994 6.7080994 (873.0106, 2775.38)(874.0118, 1119.42)(875.0234, 1322.79) 1 872.0034 872.0034@6.7080994 + 395.1344@6.709094 6.709094 (396.1417, 4218.99) 1 395.1344 395.1344@6.709094 + 856.4943@6.715065 6.715065 (857.5016, 1192.02)(858.5102, 1031.59)(859.5118, 979.83) 1 856.4943 856.4943@6.715065 + 789.4833@6.71606 6.71606 (790.4905, 14377.26)(791.4944, 4656.81)(792.505, 10382.42) 1 789.4833 789.4833@6.71606 + 1110.6598@6.744345 6.744345 (1111.6798, 6082.1665)(1112.6846, 4571.68)(1113.6779, 6751.825)(1114.6879, 6618.43)(1115.6954, 3825.28)(1133.6637, 4397.0947)(1134.6721, 2897.02)(1135.6708, 5115.56)(1136.677, 2869.52) 3 1110.6598 1110.6598@6.744345 + 517.315@6.7180505 6.7180505 (1035.6425, 2095.75)(518.3223, 419850.28)(519.3255, 120348.13) 1 517.315 517.315@6.7180505 + 1120.6683@6.721036 6.721036 (1121.6711, 1640.6)(1122.6746, 1630.77)(1143.6625, 1254.36)(1144.6772, 1129.35) 1 1120.6683 1120.6683@6.721036 + 1167.6902@6.7240214 6.7240214 (1168.6945, 1116.71)(1169.7079, 1284.52)(1170.7152, 1055.79)(1150.6906, 1190.69)(1151.6725, 1183.89)(1152.6835, 1078.92) 1 1167.6902 1167.6902@6.7240214 + 1050.6635@6.7252803 6.7252803 (1051.6705, 5167.2383)(1052.6755, 4011.834)(1053.6846, 4793.2715)(1073.6556, 4651.315)(1074.6592, 4338.425)(1075.6716, 5399.025) 8 1050.6635 1050.6635@6.7252803 + 1104.6636@6.7385135 6.7385135 (1105.6688, 2713.3362)(1106.6743, 2142.1682)(1107.6676, 2287.99)(1108.6683, 2671.47) 11 1104.6636 1104.6636@6.7385135 + 1093.1774@6.737784 6.737784 (1094.1775, 1283.646)(1095.1744, 1247.8839)(1096.1682, 1433.384)(1097.1653, 2195.49)(1076.1738, 5453.78)(1116.1573, 843.98)(1117.1482, 679.76)(1118.1637, 797.61) 5 1093.1774 1093.1774@6.737784 + 1137.6921@6.7361565 6.7361565 (1138.7013, 2672.3215)(1139.699, 2448.94)(1140.7037, 1834.8726) 6 1137.6921 1137.6921@6.7361565 + 1339.869@6.750789 6.750789 (1340.8749, 5201.346)(1341.8818, 6457.144)(1342.8875, 3280.203)(1343.8838, 1931.87) 12 1339.869 1339.869@6.750789 + 1017.6832@6.7479043 6.7479043 (1018.6905, 12819.31) 1 1017.6832 1017.6832@6.7479043 + 1100.6772@6.7467766 6.7467766 (1101.6881, 3713.75)(1102.6924, 3446.3687)(1103.7034, 4159.527)(1104.7025, 2404.335)(1105.6969, 2667.47)(1106.7155, 1058.51)(1107.7216, 511.51) 9 1100.6772 1100.6772@6.7467766 + 1592.0686@6.752899 6.752899 (1593.0751, 10090.196)(1594.08, 7144.8022)(1595.0828, 3291.023)(1596.0846, 1378.73) 10 1592.0686 1592.0686@6.752899 + 1336.3514@6.74325 6.74325 (1337.352, 2355.3525)(1338.3608, 2606.4333)(1339.3645, 2567.7566)(1354.3826, 1236.26)(1355.3524, 1415.6) 4 1336.3514 1336.3514@6.74325 + 1134.679@6.762418 6.762418 (1135.686, 2586.1333)(1136.6898, 1945.7229)(1137.6982, 3692.5452)(1138.7029, 2730.2349)(1139.7014, 1677.275) 15 1134.679 1134.679@6.762418 + 1589.0441@6.7598805 6.7598805 (1590.0504, 4946.5835)(1591.06, 7943.2397)(1592.0648, 7051.4497) 3 1589.0441 1589.0441@6.7598805 + 1312.3387@6.7471075 6.7471075 (1313.3462, 1722.9851)(1314.3545, 2019.4)(1315.3641, 2875.52)(1335.337, 1572.79)(1336.3368, 1127.78)(1337.3503, 1654.47) 2 1312.3387 1312.3387@6.7471075 + 1066.1866@6.7697654 6.7697654 (1067.1942, 14597.058)(1068.2015, 29070.38)(1069.2096, 34425.15) 12 1066.1866 1066.1866@6.7697654 + 1062.661@6.7821536 6.7821536 (1063.668, 112370.836)(1064.6732, 63609.48)(1065.6844, 151343.31)(1066.6888, 105454.28) 3 1062.661 1062.661@6.7821536 + 1323.8368@6.7858915 6.7858915 (1324.8475, 4501.91)(1325.8469, 4900.77)(1326.8552, 5082.8325) 4 1323.8368 1323.8368@6.7858915 + 257.1625@6.781846 6.781846 (258.16995, 6994.0796)(259.1737, 1589.65) 5 257.1625 257.1625@6.781846 + 1062.1554@6.7857766 6.7857766 (1063.1625, 17055.084)(1064.17, 17003.773)(1065.1782, 16137.644) 3 1062.1554 1062.1554@6.7857766 + 1071.6552@6.788529 6.788529 (1072.6635, 10019.323)(1073.674, 9296.313)(1074.678, 4736.5767) 3 1071.6552 1071.6552@6.788529 + 1318.3362@6.787708 6.787708 (1319.3435, 2344.41)(1320.3534, 1982.65)(1321.3302, 3123.09) 1 1318.3362 1318.3362@6.787708 + 1320.8134@6.7932534 6.7932534 (1321.8212, 6345.945)(1322.8276, 6484.0513)(1323.8358, 6130.9756)(1324.845, 3010.84)(1325.8481, 3829.8)(1343.8123, 1656.06) 8 1320.8134 1320.8134@6.7932534 + 1058.6631@6.7766356 6.7766356 (1059.6608, 3191.6667)(1060.6644, 2333.7683)(1061.654, 165629.95)(1081.6538, 1754.01) 6 1058.6631 1058.6631@6.7766356 + 1036.6467@6.7988167 6.7988167 (1037.6539, 240851.33)(1038.6572, 135561.98)(1039.6714, 322318.84)(1040.6748, 173929.77)(1041.684, 114681.75)(1042.6858, 31604.152)(1043.7021, 105801.85) 6 1036.6467 1036.6467@6.7988167 + 220.1211@6.794673 6.794673 (221.1284, 6499.8) 1 220.1211 220.1211@6.794673 + 325.0924@6.8294992 6.8294992 (326.0997, 9763.47)(327.1027, 1278.54) 1 325.0924 325.0924@6.8294992 + 820.427@6.8344746 6.8344746 (821.4342, 3686.31) 1 820.427 820.427@6.8344746 + 1076.1714@6.7917433 6.7917433 (1077.174, 4358.77)(1078.1648, 1333.2949) 5 1076.1714 1076.1714@6.7917433 + 145.0737@6.843429 6.843429 (146.0809, 6050.88) 1 145.0737 145.0737@6.843429 + 835.4571@6.8391676 6.8391676 (836.45996, 1717.855)(837.4551, 1014.98) 2 835.4571 835.4571@6.8391676 + 786.4665@6.8782535 6.8782535 (787.4738, 1574.25)(788.4691, 1317.87) 1 786.4665 786.4665@6.8782535 + 769.3961@6.884223 6.884223 (770.4034, 2000.88)(771.4067, 973.66)(772.4208, 4082.5)(773.4188, 1371.04)(774.4043, 749.7) 1 769.3961 769.3961@6.884223 + 757.3935@6.884223 6.884223 (758.4008, 1264.78)(759.408, 606.23)(760.3978, 639.5) 1 757.3935 757.3935@6.884223 + 680.3019@6.8843627 6.8843627 (681.30884, 1582.8633)(682.31525, 1073.13)(683.3214, 970.96) 3 680.3019 680.3019@6.8843627 + 853.4646@6.8882027 6.8882027 (854.4719, 640.26)(855.4628, 599.62)(856.4767, 756.17) 1 853.4646 853.4646@6.8882027 + 525.3072@6.8872128 6.8872128 (526.31323, 2567.744)(527.31824, 920.9462)(548.2975, 1042.5441) 8 525.3072 525.3072@6.8872128 + 463.2332@6.8879657 6.8879657 (464.2415, 1197.0516)(486.2222, 6090.9897)(487.22586, 1494.6)(488.2247, 733.91) 6 463.2332 463.2332@6.8879657 + 312.1369@6.8901925 6.8901925 (313.1441, 18768.05)(314.1463, 3783.79)(315.1428, 1831.76) 1 312.1369 312.1369@6.8901925 + 685.2834@6.895589 6.895589 (686.29407, 1749.7551)(687.3036, 883.245)(668.2939, 1050.73) 2 685.2834 685.2834@6.895589 + 627.2843@6.8931775 6.8931775 (628.2916, 2065.49)(629.3066, 837.78) 1 627.2843 627.2843@6.8931775 + 684.3005@6.8941727 6.8941727 (685.3078, 977.35) 1 684.3005 684.3005@6.8941727 + 292.0392@6.8941727 6.8941727 (293.0465, 6959.64)(294.0485, 1136.83) 1 292.0392 292.0392@6.8941727 + 637.2969@6.891814 6.891814 (638.3043, 1843.6699)(639.3143, 648.6)(640.309, 10164.6) 2 637.2969 637.2969@6.891814 + 788.4449@6.897157 6.897157 (789.4539, 744.37)(806.4782, 2561.5)(807.468, 1200.96)(808.4746, 1052.81) 1 788.4449 788.4449@6.897157 + 645.3608@6.8981524 6.8981524 (646.368, 2216.4) 1 645.3608 645.3608@6.8981524 + 565.4458@6.901137 6.901137 (566.4528, 1815.37)(588.4358, 873.41) 1 565.4458 565.4458@6.901137 + 329.2196@6.8397813 6.8397813 (330.22705, 2566.3)(331.2271, 755.57) 2 329.2196 329.2196@6.8397813 + 465.2848@6.9203587 6.9203587 (466.29266, 1397.66)(467.29437, 778.12)(488.2739, 752.73) 2 465.2848 465.2848@6.9203587 + 283.1268@6.99167 6.99167 (284.1341, 1577.8) 1 283.1268 283.1268@6.99167 + 536.3306@6.9895015 6.9895015 (537.3371, 29070.453)(538.3487, 13135.342)(539.3517, 5448.7803) 4 536.3306 536.3306@6.9895015 + 629.2358@7.074236 7.074236 (630.2431, 1582.99) 1 629.2358 629.2358@7.074236 + 273.1584@7.0931344 7.0931344 (564.352, 1066.68)(274.1655, 2398.61)(275.1651, 874.04) 1 273.1584 273.1584@7.0931344 + 356.0234@7.1223745 7.1223745 (357.03088, 1126.14) 2 356.0234 356.0234@7.1223745 + 371.1785@7.118996 7.118996 (372.1858, 2295.41)(373.1898, 730.79) 1 371.1785 371.1785@7.118996 + 764.372@7.1299376 7.1299376 (765.3793, 986.17)(766.3751, 826.45) 1 764.372 764.372@7.1299376 + 536.3304@7.1339164 7.1339164 (537.3377, 15377.45)(559.3197, 16474.88) 1 536.3304 536.3304@7.1339164 + 517.28@7.1297417 7.1297417 (518.28687, 2464.32)(519.29004, 911.905)(540.2707, 2318.93) 3 517.28 517.28@7.1297417 + 717.2734@7.1509438 7.1509438 (718.2809, 2982.2559)(719.28467, 1113.5267)(720.2932, 796.45) 5 717.2734 717.2734@7.1509438 + 691.3933@7.138889 7.138889 (692.4005, 917.47) 1 691.3933 691.3933@7.138889 + 779.458@7.077908 7.077908 (780.46234, 1536.9102)(781.46875, 1076.075)(782.4695, 767.995)(802.4426, 1528.2)(803.4399, 610.18)(804.4222, 870.13) 3 779.458 779.458@7.077908 + 543.3026@7.098951 7.098951 (544.30475, 2359.2888)(545.31104, 1247.4551)(546.3143, 1220.1) 7 543.3026 543.3026@7.098951 + 688.2945@7.1408787 7.1408787 (689.3018, 974.17)(690.3086, 869.25) 1 688.2945 688.2945@7.1408787 + 683.272@7.1418734 7.1418734 (684.2792, 1013.81)(685.2835, 699.52) 1 683.272 683.272@7.1418734 + 806.0691@7.1428676 7.1428676 (807.0764, 717.06)(808.0679, 812.16) 1 806.0691 806.0691@7.1428676 + 229.1322@7.1438622 7.1438622 (230.1395, 3540.05)(231.1389, 1038.44) 1 229.1322 229.1322@7.1438622 + 521.311@7.147506 7.147506 (522.3198, 3037.71)(523.3233, 976.07)(524.3318, 1017.67) 2 521.311 521.311@7.147506 + 790.6642@7.147841 7.147841 (791.6715, 1125.77)(792.6718, 885.35) 1 790.6642 790.6642@7.147841 + 167.106@7.147841 7.147841 (168.1132, 9938.33) 1 167.106 167.106@7.147841 + 616.1366@7.147841 7.147841 (617.1439, 2173.54)(618.1448, 1340.12) 1 616.1366 616.1366@7.147841 + 790.1614@7.147841 7.147841 (791.1687, 1490.25) 1 790.1614 790.1614@7.147841 + 567.3169@7.160995 7.160995 (568.32404, 13716.509)(569.3276, 5338.6763)(570.3379, 3774.83)(590.3063, 21394.664)(591.3098, 5572.705) 3 567.3169 567.3169@7.160995 + 364.1206@7.156792 7.156792 (365.1284, 4565.12)(366.1321, 908.14)(387.1092, 4023.3)(388.1125, 1010.33) 1 364.1206 364.1206@7.156792 + 706.142@7.1549397 7.1549397 (707.14905, 4202.7573)(708.15063, 2851.6301)(709.1456, 3031.525)(710.1469, 1377.9)(711.1439, 675.07) 4 706.142 706.142@7.1549397 + 455.0647@7.159776 7.159776 (456.072, 2088.01)(457.0686, 1036.16) 1 455.0647 455.0647@7.159776 + 539.0903@7.158643 7.158643 (540.0973, 6225.405)(541.0953, 4614.6)(542.096, 1499.5499) 4 539.0903 539.0903@7.158643 + 569.3782@7.160771 7.160771 (570.3855, 2135.58)(571.386, 1107.85) 1 569.3782 569.3782@7.160771 + 188.1157@7.1617656 7.1617656 (189.123, 4851.6) 1 188.1157 188.1157@7.1617656 + 553.3289@7.173197 7.173197 (554.3366, 6845.263)(555.3369, 2038.2968) 3 553.3289 553.3289@7.173197 + 411.1314@7.1637545 7.1637545 (412.1387, 1982.91) 1 411.1314 411.1314@7.1637545 + 609.3718@7.169722 7.169722 (610.379, 3453.29)(611.3821, 1158.75) 1 609.3718 609.3718@7.169722 + 377.1238@7.171711 7.171711 (378.1311, 5370.33)(379.1352, 1200.0) 1 377.1238 377.1238@7.171711 + 532.1033@7.1586127 7.1586127 (533.1141, 2684.95)(534.11426, 1368.6125) 4 532.1033 532.1033@7.1586127 + 420.1601@7.1786733 7.1786733 (421.1679, 1904.51)(443.1473, 772.81) 1 420.1601 420.1601@7.1786733 + 226.1436@7.1366215 7.1366215 (227.15053, 2625.18)(228.1559, 747.3072) 8 226.1436 226.1436@7.1366215 + 705.3839@7.177331 7.177331 (706.39307, 1606.62)(707.39197, 927.36)(708.4066, 1025.11)(728.376, 753.3) 2 705.3839 705.3839@7.177331 + 702.3651@7.183646 7.183646 (703.3724, 945.01) 1 702.3651 702.3651@7.183646 + 633.3227@7.183105 7.183105 (634.3307, 3408.72)(635.3325, 1524.0549)(636.34076, 1376.985) 2 633.3227 633.3227@7.183105 + 631.3112@7.173106 7.173106 (632.318, 10042.285)(633.3108, 2148.27)(634.2977, 2173.29)(654.3007, 12104.859)(655.3045, 6111.76)(656.313, 4912.64)(657.3165, 1935.22)(658.3216, 1119.5) 2 631.3112 631.3112@7.173106 + 675.2789@7.1808505 7.1808505 (676.28577, 1301.905)(698.26825, 1353.875)(699.2855, 573.83) 2 675.2789 675.2789@7.1808505 + 717.2738@7.172682 7.172682 (718.2805, 3658.4734)(719.2839, 1466.4939)(720.2923, 1015.22003) 6 717.2738 717.2738@7.172682 + 683.2692@7.190608 7.190608 (684.2765, 1514.43) 1 683.2692 683.2692@7.190608 + 531.2937@7.191129 7.191129 (532.3011, 4112.7534)(533.3045, 1346.04) 3 531.2937 531.2937@7.191129 + 459.2309@7.2439437 7.2439437 (460.23862, 1996.7867)(461.2438, 702.18) 3 459.2309 459.2309@7.2439437 + 824.3709@7.293042 7.293042 (825.3782, 1527.39) 1 824.3709 824.3709@7.293042 + 722.3862@7.2940364 7.2940364 (723.3935, 1914.42)(724.4058, 1263.72) 1 722.3862 722.3862@7.2940364 + 778.3736@7.29702 7.29702 (779.3844, 945.64)(761.3697, 1974.46)(762.3731, 1322.22)(763.388, 1988.02) 1 778.3736 778.3736@7.29702 + 891.4333@7.2943234 7.2943234 (892.4424, 1241.25)(893.43994, 866.44995)(894.4507, 957.24) 2 891.4333 891.4333@7.2943234 + 451.1258@7.2980146 7.2980146 (452.1331, 2373.72) 1 451.1258 451.1258@7.2980146 + 666.3232@7.2980146 7.2980146 (667.3304, 1649.89)(668.3375, 997.95) 1 666.3232 666.3232@7.2980146 + 733.2525@7.299009 7.299009 (734.2598, 1127.69)(735.2548, 793.64) 1 733.2525 733.2525@7.299009 + 716.3986@7.300003 7.300003 (717.4055, 1220.0)(718.4072, 1209.29)(739.388, 3864.78)(740.3919, 1315.7)(741.4036, 1074.13) 1 716.3986 716.3986@7.300003 + 563.286@7.3034296 7.3034296 (564.29224, 2739.54)(565.2963, 1437.69)(586.27673, 1850.765)(587.279, 1145.53) 2 563.286 563.286@7.3034296 + 557.2717@7.303981 7.303981 (558.279, 1875.47)(559.2822, 636.59) 1 557.2717 557.2717@7.303981 + 749.2628@7.3059697 7.3059697 (750.2701, 1810.71)(751.2731, 929.38) 1 749.2628 749.2628@7.3059697 + 553.336@7.297501 7.297501 (554.344, 7163.755)(555.3491, 2275.31)(576.3278, 1033.39) 2 553.336 553.336@7.297501 + 643.2759@7.3027744 7.3027744 (644.2822, 3830.4102)(645.2867, 1382.37)(646.2971, 3575.56)(647.3004, 1727.75)(648.3133, 2710.42)(666.26825, 1574.51) 2 643.2759 643.2759@7.3027744 + 109.0013@7.3159137 7.3159137 (110.0086, 7174.95)(111.0108, 1241.11) 1 109.0013 109.0013@7.3159137 + 461.2162@7.3367963 7.3367963 (462.2235, 1300.72)(463.2292, 987.48) 1 461.2162 461.2162@7.3367963 + 417.1205@7.3556895 7.3556895 (418.1277, 5827.73)(419.1311, 1131.95)(440.1098, 5598.71)(441.1126, 1337.86) 1 417.1205 417.1205@7.3556895 + 545.2401@7.3643074 7.3643074 (546.24664, 1488.48) 2 545.2401 545.2401@7.3643074 + 449.2174@7.3990073 7.3990073 (450.2246, 1591.9199)(451.2252, 766.72) 2 449.2174 449.2174@7.3990073 + 527.3575@7.3984456 7.3984456 (528.3647, 1105.9) 1 527.3575 527.3575@7.3984456 + 473.7854@7.409551 7.409551 (474.7933, 1880.3058) 7 473.7854 473.7854@7.409551 + 465.2127@7.406965 7.406965 (466.21964, 4728.44)(467.22348, 1176.0099)(468.2262, 1079.02)(488.2022, 1264.06)(489.2055, 554.31) 3 465.2127 465.2127@7.406965 + 259.1426@7.4170084 7.4170084 (260.14996, 2387.03)(261.15088, 819.145) 2 259.1426 259.1426@7.4170084 + 531.2957@7.4262853 7.4262853 (532.303, 1574.29) 1 531.2957 531.2957@7.4262853 + 351.1077@7.431257 7.431257 (352.115, 3440.94)(353.1247, 1227.47) 1 351.1077 351.1077@7.431257 + 527.3241@7.4461703 7.4461703 (528.3314, 1406.65) 1 527.3241 527.3241@7.4461703 + 117.0788@7.4750032 7.4750032 (118.086, 30490.18)(119.0894, 2608.77) 1 117.0788 117.0788@7.4750032 + 387.1298@7.4789796 7.4789796 (388.1371, 1512.01) 1 387.1298 387.1298@7.4789796 + 581.2963@7.481962 7.481962 (582.3036, 2254.63)(583.3167, 888.31) 1 581.2963 581.2963@7.481962 + 337.0927@7.4839506 7.4839506 (338.1, 4587.59)(339.1061, 610.52) 1 337.0927 337.0927@7.4839506 + 415.1968@7.521797 7.521797 (416.20398, 5456.6455)(417.20786, 1416.08) 9 415.1968 415.1968@7.521797 + 204.0472@7.5495644 7.5495644 (205.0545, 4800.5) 1 204.0472 204.0472@7.5495644 + 609.3461@7.551553 7.551553 (610.3512, 6372.89)(632.3357, 40200.35)(633.3389, 16089.69)(634.3414, 2722.41) 1 609.3461 609.3461@7.551553 + 241.0714@7.5545354 7.5545354 (242.0786, 2381.21) 1 241.0714 241.0714@7.5545354 + 530.3235@7.601112 7.601112 (531.331, 1483.1632) 3 530.3235 530.3235@7.601112 + 451.1965@7.5991993 7.5991993 (452.2046, 1942.4667)(434.193, 10907.73)(435.1962, 2294.3) 3 451.1965 451.1965@7.5991993 + 463.1616@7.6092086 7.6092086 (464.1689, 2479.82)(465.1723, 1147.57) 1 463.1616 463.1616@7.6092086 + 189.1113@7.651951 7.651951 (190.1185, 10864.49)(191.1187, 1405.2) 1 189.1113 189.1113@7.651951 + 555.1926@7.6579146 7.6579146 (556.1999, 1979.56)(557.2009, 700.29)(558.203, 631.15) 1 555.1926 555.1926@7.6579146 + 571.2558@7.6661134 7.6661134 (572.2627, 1939.5349)(573.2645, 973.81) 2 571.2558 571.2558@7.6661134 + 471.1679@7.6758056 7.6758056 (472.1752, 3628.23)(473.1793, 1132.8) 1 471.1679 471.1679@7.6758056 + 197.0504@7.6787877 7.6787877 (198.0577, 3299.85)(199.062, 593.35) 1 197.0504 197.0504@7.6787877 + 414.9934@7.689721 7.689721 (416.0007, 1659.87)(437.9826, 1262.39) 1 414.9934 414.9934@7.689721 + 525.3027@7.6936965 7.6936965 (526.31, 1391.33)(527.3109, 564.37) 1 525.3027 525.3027@7.6936965 + 563.2839@7.7006536 7.7006536 (564.2912, 2334.83)(565.2959, 914.8) 1 563.2839 563.2839@7.7006536 + 635.2695@7.7006536 7.7006536 (636.2768, 2816.62)(637.281, 1056.54) 1 635.2695 635.2695@7.7006536 + 635.3353@7.702642 7.702642 (636.3426, 2025.09)(637.3486, 547.52) 1 635.3353 635.3353@7.702642 + 509.2022@7.702642 7.702642 (510.2095, 6387.99)(511.2153, 1544.21)(512.2208, 1141.37) 1 509.2022 509.2022@7.702642 + 603.2801@7.7036357 7.7036357 (604.2874, 4927.85)(605.2906, 2093.48) 1 603.2801 603.2801@7.7036357 + 519.2225@7.7036357 7.7036357 (520.2298, 4196.86)(521.2333, 1168.33)(522.2405, 1185.18) 1 519.2225 519.2225@7.7036357 + 314.8614@7.706617 7.706617 (315.8687, 969.81) 1 314.8614 314.8614@7.706617 + 153.0426@7.7105927 7.7105927 (154.0499, 7163.44)(155.0496, 1259.76) 1 153.0426 153.0426@7.7105927 + 244.1416@7.714568 7.714568 (245.1488, 4140.51) 1 244.1416 244.1416@7.714568 + 784.6463@7.714568 7.714568 (785.6536, 3536.75)(786.6549, 2222.74)(787.6648, 1061.18) 1 784.6463 784.6463@7.714568 + 463.16@7.718544 7.718544 (464.1673, 3455.67)(465.1708, 1223.71) 1 463.16 463.16@7.718544 + 426.926@7.7205315 7.7205315 (427.9333, 1454.11) 1 426.926 426.926@7.7205315 + 565.3011@7.7245073 7.7245073 (566.3084, 4312.94)(567.3109, 1539.15) 1 565.3011 565.3011@7.7245073 + 600.3087@7.725501 7.725501 (601.316, 1484.04) 1 600.3087 600.3087@7.725501 + 717.2787@7.7284827 7.7284827 (718.2859, 1469.44)(719.2862, 683.4) 1 717.2787 717.2787@7.7284827 + 634.2481@7.7284827 7.7284827 (635.2553, 1032.53) 1 634.2481 634.2481@7.7284827 + 597.2915@7.7314644 7.7314644 (598.2988, 1864.2)(599.303, 854.92) 1 597.2915 597.2915@7.7314644 + 551.3218@7.73544 7.73544 (552.3294, 4601.61)(553.3328, 1485.09)(554.3423, 2781.92)(574.3076, 639.39) 1 551.3218 551.3218@7.73544 + 673.3088@7.739415 7.739415 (674.3136, 3448.49)(675.315, 1429.97)(696.299, 7238.39)(697.3018, 2241.89)(698.3126, 2107.14) 1 673.3088 673.3088@7.739415 + 356.9866@7.740409 7.740409 (357.9938, 1596.32) 1 356.9866 356.9866@7.740409 + 475.1613@7.742397 7.742397 (476.1686, 2499.43) 1 475.1613 475.1613@7.742397 + 439.1603@7.746698 7.746698 (440.1675, 4107.79)(441.1707, 1578.14) 2 439.1603 439.1603@7.746698 + 660.2786@7.7433906 7.7433906 (661.2858, 1399.82) 1 660.2786 660.2786@7.7433906 + 427.1598@7.7431297 7.7431297 (428.16748, 3374.3645)(429.17117, 1270.715)(430.178, 860.58) 7 427.1598 427.1598@7.7431297 + 563.2479@7.7443843 7.7443843 (564.2534, 1237.15)(546.245, 10925.21)(547.2482, 3151.92)(548.2319, 943.66)(586.2389, 763.73) 1 563.2479 563.2479@7.7443843 + 687.2954@7.7443843 7.7443843 (688.3027, 1796.29)(689.3072, 740.24)(690.294, 1546.11) 1 687.2954 687.2954@7.7443843 + 413.1443@7.745378 7.745378 (414.1516, 2963.61)(415.1555, 837.98) 1 413.1443 413.1443@7.745378 + 581.2956@7.7483416 7.7483416 (582.3031, 3410.7)(583.307, 1200.51) 2 581.2956 581.2956@7.7483416 + 505.2057@7.7513413 7.7513413 (506.213, 3624.08)(507.2159, 1027.61) 1 505.2057 505.2057@7.7513413 + 463.1958@7.7563105 7.7563105 (464.2031, 5580.29)(465.2082, 1390.22) 1 463.1958 463.1958@7.7563105 + 380.1797@7.7563105 7.7563105 (381.187, 3479.95) 1 380.1797 380.1797@7.7563105 + 491.192@7.761298 7.761298 (492.19946, 3788.27)(493.2032, 1741.08) 2 491.192 491.192@7.761298 + 437.1438@7.76128 7.76128 (438.1511, 1306.08) 1 437.1438 437.1438@7.76128 + 666.4215@7.7628417 7.7628417 (667.42896, 1662.1934)(668.4302, 734.8833) 3 666.4215 666.4215@7.7628417 + 447.1658@7.7697525 7.7697525 (448.17288, 2426.6216)(449.17676, 749.64746)(450.1859, 3346.06)(451.1884, 859.03)(452.2033, 1713.72) 6 447.1658 447.1658@7.7697525 + 437.179@7.7833385 7.7833385 (438.18744, 2142.1099)(439.1897, 1154.76)(420.1756, 4555.54) 2 437.179 437.179@7.7833385 + 333.1788@7.781156 7.781156 (334.1861, 3337.56)(335.1842, 1495.35) 1 333.1788 333.1788@7.781156 + 568.3211@7.7861247 7.7861247 (569.3283, 2400.85) 1 568.3211 568.3211@7.7861247 + 228.1222@7.7861247 7.7861247 (229.1295, 9973.99)(230.1332, 1736.52) 1 228.1222 228.1222@7.7861247 + 507.2219@7.804896 7.804896 (508.22974, 3062.0417)(509.2339, 1093.8099) 6 507.2219 507.2219@7.804896 + 188.1176@7.808631 7.808631 (189.12445, 7862.7305)(190.1294, 1423.66) 2 188.1176 188.1176@7.808631 + 453.2117@7.8417754 7.8417754 (454.219, 5752.55)(455.2221, 1722.41) 1 453.2117 453.2117@7.8417754 + 346.219@7.8662925 7.8662925 (693.4449, 4110.4883)(694.4482, 1736.7832)(695.46, 1147.83)(347.2267, 2213.1729)(348.23245, 1088.595)(349.2341, 689.67) 7 346.219 346.219@7.8662925 + 447.1441@7.9328904 7.9328904 (448.1516, 2003.9567)(449.1645, 753.56)(450.1485, 518.86) 3 447.1441 447.1441@7.9328904 + 178.1106@7.9351788 7.9351788 (179.1179, 35258.33)(180.1212, 4572.48)(181.1278, 665.03) 1 178.1106 178.1106@7.9351788 + 421.1502@7.9649863 7.9649863 (422.1575, 2428.54) 1 421.1502 421.1502@7.9649863 + 359.1344@8.000077 8.000077 (360.1416, 4071.23)(361.14566, 741.15) 2 359.1344 359.1344@8.000077 + 587.2845@8.003734 8.003734 (588.2918, 1961.63)(589.2971, 1096.0)(590.2989, 1580.51) 1 587.2845 587.2845@8.003734 + 485.1688@8.010688 8.010688 (486.1761, 1436.78) 1 485.1688 485.1688@8.010688 + 345.1195@8.029564 8.029564 (346.1267, 2093.57)(347.1426, 936.87) 1 345.1195 345.1195@8.029564 + 551.68@8.035524 8.035524 (552.6873, 2023.28) 1 551.68 551.68@8.035524 + 383.134@8.043472 8.043472 (384.1413, 2812.46)(385.1467, 867.2) 1 383.134 383.134@8.043472 + 469.1721@8.041473 8.041473 (470.17957, 2137.8699)(471.1828, 1049.19) 2 469.1721 469.1721@8.041473 + 339.1084@8.04844 8.04844 (340.1157, 1521.9) 1 339.1084 339.1084@8.04844 + 366.1355@8.089169 8.089169 (367.1428, 2727.92)(368.1399, 1168.29) 1 366.1355 366.1355@8.089169 + 499.182@8.096123 8.096123 (500.1892, 3505.65)(501.193, 661.12) 1 499.182 499.182@8.096123 + 424.1688@8.122944 8.122944 (425.1761, 2429.04) 1 424.1688 424.1688@8.122944 + 529.2277@8.13387 8.13387 (530.2349, 1649.62)(531.2369, 837.52) 1 529.2277 529.2277@8.13387 + 537.2337@8.086107 8.086107 (538.2388, 1120.7749)(520.2305, 2431.01) 2 537.2337 537.2337@8.086107 + 505.2072@8.140823 8.140823 (506.2145, 2642.02)(507.2198, 711.61) 1 505.2072 505.2072@8.140823 + 364.1525@8.160689 8.160689 (365.1597, 3713.76)(366.1641, 1225.87) 1 364.1525 364.1525@8.160689 + 485.1661@8.169629 8.169629 (486.1734, 3941.18)(487.1784, 920.09) 1 485.1661 485.1661@8.169629 + 491.1925@8.190487 8.190487 (492.1997, 2961.44)(493.2033, 1352.16) 1 491.1925 491.1925@8.190487 + 401.1445@8.206378 8.206378 (402.1518, 2399.77) 1 401.1445 401.1445@8.206378 + 485.1679@8.2242565 8.2242565 (486.1751, 2756.23)(487.1775, 863.2) 1 485.1679 485.1679@8.2242565 + 385.1503@8.242133 8.242133 (386.1575, 5029.48)(387.1612, 912.32) 1 385.1503 385.1503@8.242133 + 347.7058@8.26001 8.26001 (696.4195, 1821.04)(697.4256, 548.41)(698.4333, 748.51)(348.7129, 4972.76) 1 347.7058 347.7058@8.26001 + 356.2199@8.272922 8.272922 (357.2273, 1638.91)(358.2261, 627.49)(379.2091, 1055.38) 1 356.2199 356.2199@8.272922 + 455.1947@8.28143 8.28143 (456.20084, 3232.61)(457.2025, 1316.3)(458.2102, 892.54) 3 455.1947 455.1947@8.28143 + 383.1693@8.279873 8.279873 (384.177, 4894.04)(385.1804, 959.75)(406.1537, 888.3) 1 383.1693 383.1693@8.279873 + 475.1577@8.279873 8.279873 (476.1649, 5097.36)(477.1694, 1268.26) 1 475.1577 475.1577@8.279873 + 467.1912@8.316654 8.316654 (468.19858, 5117.4565)(469.20184, 1612.5549) 3 467.1912 467.1912@8.316654 + 401.1449@8.347402 8.347402 (402.1558, 791.52)(384.1416, 15381.9)(385.145, 2390.91) 1 401.1449 401.1449@8.347402 + 413.1454@8.341023 8.341023 (414.1523, 2477.6433) 3 413.1454 413.1454@8.341023 + 439.1605@8.366125 8.366125 (440.16864, 3413.895)(441.1712, 1396.44) 2 439.1605 439.1605@8.366125 + 130.1212@8.371234 8.371234 (131.1285, 2281.14) 1 130.1212 130.1212@8.371234 + 427.161@8.431803 8.431803 (428.1682, 8231.36)(429.1714, 1307.05) 1 427.161 427.161@8.431803 + 431.1556@8.433788 8.433788 (432.1628, 2787.28) 1 431.1556 431.1556@8.433788 + 387.1293@8.442724 8.442724 (388.1372, 2059.31)(370.1259, 10284.57)(371.1289, 1590.7) 1 387.1293 387.1293@8.442724 + 547.2215@8.448682 8.448682 (548.2287, 1710.64) 1 547.2215 547.2215@8.448682 + 527.2483@8.450667 8.450667 (528.2555, 2176.24) 1 527.2483 527.2483@8.450667 + 419.1706@8.508251 8.508251 (420.1779, 3109.94)(421.1787, 924.37) 1 419.1706 419.1706@8.508251 + 643.3326@8.578072 8.578072 (644.34094, 1440.905)(645.345, 859.03) 2 643.3326 643.3326@8.578072 + 477.1743@8.52215 8.52215 (478.1816, 1809.84) 1 477.1743 477.1743@8.52215 + 539.2126@8.527114 8.527114 (540.2199, 3516.89)(541.2233, 1416.74) 1 539.2126 539.2126@8.527114 + 403.1672@8.553919 8.553919 (404.1745, 1209.05)(405.1776, 739.75) 1 403.1672 403.1672@8.553919 + 248.1163@8.570795 8.570795 (249.1236, 4168.62) 1 248.1163 248.1163@8.570795 + 559.2029@8.595612 8.595612 (560.2102, 2166.91)(561.2162, 580.28) 1 559.2029 559.2029@8.595612 + 71.0735@8.613479 8.613479 (143.1535, 746.88)(72.0807, 11053.64)(73.0837, 863.45)(89.1074, 12068.43) 1 71.0735 71.0735@8.613479 + 463.1604@8.665093 8.665093 (464.1677, 2150.49)(465.1705, 680.13) 1 463.1604 463.1604@8.665093 + 299.094@8.6690645 8.6690645 (300.1013, 13546.3)(301.105, 2295.4)(302.1006, 800.21)(322.0825, 1480.59) 1 299.094 299.094@8.6690645 + 393.1159@8.683952 8.683952 (394.1232, 5504.9)(395.1261, 887.78) 1 393.1159 393.1159@8.683952 + 493.2155@8.687923 8.687923 (494.2228, 1711.82)(495.2268, 698.25) 1 493.2155 493.2155@8.687923 + 451.1581@8.717698 8.717698 (452.1653, 4310.14)(453.17, 869.49)(454.18, 428.13) 1 451.1581 451.1581@8.717698 + 415.1603@8.741517 8.741517 (416.1676, 11016.95)(417.1719, 1933.67)(438.1494, 2460.8) 1 415.1603 415.1603@8.741517 + 449.1451@8.841746 8.841746 (450.1525, 2468.88)(451.1552, 863.72)(467.176, 561.33) 1 449.1451 449.1451@8.841746 + 471.1862@8.8506775 8.8506775 (472.1935, 15577.81)(473.1973, 2337.53)(474.2006, 1045.47) 1 471.1862 471.1862@8.8506775 + 485.2023@8.867546 8.867546 (486.2095, 45546.15)(487.2123, 10041.88)(488.2109, 2822.2)(508.1926, 4291.64)(509.1977, 1242.42) 1 485.2023 485.2023@8.867546 + 372.132@8.880445 8.880445 (373.1392, 920.2) 1 372.132 372.132@8.880445 + 248.1163@8.897313 8.897313 (249.1236, 2510.65) 1 248.1163 248.1163@8.897313 + 579.2068@8.936008 8.936008 (580.2141, 2496.59)(581.2194, 812.7)(582.2292, 531.55) 1 579.2068 579.2068@8.936008 + 352.1392@8.937993 8.937993 (353.1465, 2033.82)(354.1453, 505.86) 1 352.1392 352.1392@8.937993 + 563.2105@8.940969 8.940969 (564.2177, 3067.67)(565.222, 1004.95)(566.2007, 2170.57) 1 563.2105 563.2105@8.940969 + 737.2998@8.952874 8.952874 (738.3065, 862.77)(720.2966, 2664.06)(721.2985, 878.13) 1 737.2998 737.2998@8.952874 + 523.1813@8.952874 8.952874 (524.1886, 2516.08) 1 523.1813 523.1813@8.952874 + 371.1956@8.955851 8.955851 (372.2029, 5321.68) 1 371.1956 371.1956@8.955851 + 417.1827@8.955851 8.955851 (418.19, 2548.51) 1 417.1827 417.1827@8.955851 + 549.1951@8.95982 8.95982 (550.2024, 5737.89)(551.2052, 1578.3)(552.2106, 1146.47) 1 549.1951 549.1951@8.95982 + 621.217@8.96478 8.96478 (622.2243, 2178.96)(623.2273, 625.35) 1 621.217 621.217@8.96478 + 415.1362@8.970733 8.970733 (416.1435, 5446.76)(417.1443, 1083.5) 1 415.1362 415.1362@8.970733 + 612.2505@9.00744 9.00744 (613.2578, 2177.92)(614.2586, 1060.92) 1 612.2505 612.2505@9.00744 + 965.0378@9.062991 9.062991 (966.0451, 1423.91)(967.0493, 1053.12) 1 965.0378 965.0378@9.062991 + 511.2181@9.079855 9.079855 (512.2254, 3145.0)(513.2276, 1282.55) 1 511.2181 511.2181@9.079855 + 461.1877@9.090767 9.090767 (462.1949, 1727.4) 1 461.1877 461.1877@9.090767 + 672.2368@9.095726 9.095726 (673.2443, 1156.29)(695.2257, 1175.32) 1 672.2368 672.2368@9.095726 + 431.2132@9.096718 9.096718 (432.2205, 4596.18)(433.2247, 819.75) 1 431.2132 431.2132@9.096718 + 790.3006@9.097711 9.097711 (791.3078, 1833.0)(792.3133, 980.65) 1 790.3006 790.3006@9.097711 + 538.2856@9.0987015 9.0987015 (539.2928, 1821.17) 1 538.2856 538.2856@9.0987015 + 621.2122@9.099694 9.099694 (622.2195, 1474.31)(623.216, 671.6) 1 621.2122 621.2122@9.099694 + 220.1211@9.100685 9.100685 (221.1284, 6056.78) 1 220.1211 220.1211@9.100685 + 408.1382@9.100685 9.100685 (409.1455, 4046.16) 1 408.1382 408.1382@9.100685 + 488.6715@9.103662 9.103662 (489.6788, 2737.98) 1 488.6715 488.6715@9.103662 + 565.1694@9.103662 9.103662 (566.1773, 2185.64)(567.1746, 1301.47)(583.199, 633.0) 1 565.1694 565.1694@9.103662 + 750.2795@9.108621 9.108621 (751.2868, 2125.84)(752.2897, 1017.5) 1 750.2795 750.2795@9.108621 + 467.1553@9.12945 9.12945 (468.1626, 5000.01)(469.1677, 1152.19)(470.1768, 994.02) 1 467.1553 467.1553@9.12945 + 431.1563@9.152263 9.152263 (432.1636, 1208.32) 1 431.1563 431.1563@9.152263 + 457.1822@9.2147455 9.2147455 (458.1876, 846.23)(440.1789, 10216.12)(441.1815, 2205.17)(480.174, 814.01) 1 457.1822 457.1822@9.2147455 + 355.103@9.326801 9.326801 (356.1103, 2980.32) 1 355.103 355.103@9.326801 + 494.239@9.358529 9.358529 (495.2462, 1673.47) 1 494.239 494.239@9.358529 + 478.2673@9.4 9.4 (479.2742, 2108.375)(480.2766, 964.76) 2 478.2673 478.2673@9.4 + 195.0788@9.508229 9.508229 (391.1627, 1554.36)(196.0876, 1632.45) 1 195.0788 195.0788@9.508229 + 511.2288@9.559773 9.559773 (512.2361, 2009.32)(513.2398, 612.74) 1 511.2288 511.2288@9.559773 + 455.1544@9.646001 9.646001 (456.1617, 3198.8)(457.1672, 985.5) 1 455.1544 455.1544@9.646001 + 205.0913@9.933938 9.933938 (411.1864, 748.44)(206.0984, 3720.5935) 3 205.0913 205.0913@9.933938 + 198.0837@9.975932 9.975932 (199.091, 5859.21)(200.1002, 773.5) 1 198.0837 198.0837@9.975932 + 559.8212@10.059353 10.059353 (560.8281, 2358.1948)(561.8331, 1058.64) 2 559.8212 559.8212@10.059353 + 185.075@10.103694 10.103694 (371.1569, 4597.04)(186.0827, 2472.94) 1 185.075 185.075@10.103694 + 424.2576@10.383882 10.383882 (425.2649, 4496.27)(426.2696, 1108.14) 1 424.2576 424.2576@10.383882 + 325.1098@10.796816 10.796816 (326.11707, 5918.27)(327.1169, 1987.88) 2 325.1098 325.1098@10.796816 + 367.194@11.192978 11.192978 (368.2012, 1886.68) 1 367.194 367.194@11.192978 + 250.1313@11.395559 11.395559 (251.1386, 4409.7)(252.1486, 1003.78) 1 250.1313 250.1313@11.395559 + 370.3074@0.76672006 0.76672006 (371.3146, 8622.54)(372.318, 2136.94) 1 370.3074 370.3074@0.76672006 + 217.9625@0.77606547 0.77606547 (218.96985, 5939.4653)(219.97646, 655.14)(220.971, 451.43) 4 217.9625 217.9625@0.77606547 + 155.0348@0.8051012 0.8051012 (156.042, 5413.044)(157.0496, 1071.44) 5 155.0348 155.0348@0.8051012 + 99.0684@0.80669636 0.80669636 (100.0757, 67396.15)(101.0793, 4267.91) 1 99.0684 99.0684@0.80669636 + 335.0133@0.8497648 0.8497648 (336.02017, 4560.5864)(337.02307, 1146.0067)(358.00253, 1728.4767) 8 335.0133 335.0133@0.8497648 + 403.951@0.88920295 0.88920295 (404.95782, 1557.8699) 4 403.951 403.951@0.88920295 + 298.1027@0.95586115 0.95586115 (299.11005, 8308.703)(300.1142, 1033.3715) 7 298.1027 298.1027@0.95586115 + 1293.8601@0.9945707 0.9945707 (1294.8674, 1316.49)(1295.8734, 1345.27)(1296.8832, 2818.89)(1297.8848, 2190.05)(1298.8856, 933.74) 1 1293.8601 1293.8601@0.9945707 + 1253.8298@0.9965692 0.9965692 (1254.837, 1478.96)(1255.8408, 1108.3) 1 1253.8298 1253.8298@0.9965692 + 1071.7269@0.9975685 0.9975685 (1072.7343, 1656.29)(1073.7408, 1323.66)(1074.747, 1494.48) 1 1071.7269 1071.7269@0.9975685 + 1037.7244@0.9975685 0.9975685 (1038.7317, 1933.56)(1039.7358, 1270.13) 1 1037.7244 1037.7244@0.9975685 + 1021.7376@0.9975685 0.9975685 (1022.7449, 2398.79)(1023.7402, 1768.1)(1024.7513, 3937.1)(1025.7552, 2691.72)(1026.7655, 3237.43) 1 1021.7376 1021.7376@0.9975685 + 1074.7405@0.99856776 0.99856776 (1075.7477, 1003.69)(1076.758, 1019.73) 1 1074.7405 1074.7405@0.99856776 + 1029.7299@0.99856776 0.99856776 (1030.7372, 2427.59)(1031.738, 1898.17)(1032.7472, 3250.48)(1033.753, 2163.66)(1034.7638, 2329.65) 1 1029.7299 1029.7299@0.99856776 + 1026.7661@0.99956703 0.99956703 (1027.7734, 2330.14)(1028.7693, 1453.36)(1029.7472, 759.92) 1 1026.7661 1026.7661@0.99956703 + 1079.7137@0.99956703 0.99956703 (1080.721, 1657.63) 1 1079.7137 1079.7137@0.99956703 + 1063.7357@0.99956703 0.99956703 (1064.7375, 1800.88)(1065.7405, 1186.05)(1066.7504, 1487.45)(1046.737, 1240.85)(1047.7239, 1097.34)(1048.735, 2483.76)(1049.7374, 1822.37)(1050.7465, 2122.23) 1 1063.7357 1063.7357@0.99956703 + 1044.7668@1.0005664 1.0005664 (1045.7758, 1618.16)(1067.7518, 1074.13)(1068.7664, 542.74)(1069.7677, 949.01) 1 1044.7668 1044.7668@1.0005664 + 971.7215@1.0005664 1.0005664 (972.7288, 4616.12)(973.7296, 4266.44)(974.7401, 8648.07)(975.7458, 5521.92) 1 971.7215 971.7215@1.0005664 + 996.7187@1.0005664 1.0005664 (997.7283, 2807.93)(1014.7519, 7543.04)(1015.7536, 5563.95) 1 996.7187 996.7187@1.0005664 + 1008.7506@1.0005664 1.0005664 (1009.7579, 3198.8) 1 1008.7506 1008.7506@1.0005664 + 1003.7129@1.0005664 1.0005664 (1004.7202, 2389.41)(1005.7264, 1869.7)(1006.7397, 4463.1)(1007.7485, 3118.73)(1008.7535, 5661.54) 1 1003.7129 1003.7129@1.0005664 + 1050.7421@1.0005664 1.0005664 (1051.7494, 1979.32)(1052.7571, 1437.38)(1053.7666, 1136.32) 1 1050.7421 1050.7421@1.0005664 + 988.7385@1.0005664 1.0005664 (989.7457, 4909.76) 1 988.7385 988.7385@1.0005664 + 987.7405@1.0005664 1.0005664 (988.7478, 6022.78) 1 987.7405 987.7405@1.0005664 + 976.7539@1.0015656 1.0015656 (977.7612, 6253.29) 1 976.7539 976.7539@1.0015656 + 1012.7733@1.0015656 1.0015656 (1013.7797, 1635.59)(1035.7638, 1163.75) 1 1012.7733 1012.7733@1.0015656 + 962.7614@1.0015656 1.0015656 (963.7686, 6231.4) 1 962.7614 962.7614@1.0015656 + 1036.6993@1.0025648 1.0025648 (1037.7096, 857.03)(1054.7294, 540.16)(1055.7231, 769.49)(1056.7441, 1442.77)(1057.7509, 789.6) 1 1036.6993 1036.6993@1.0025648 + 1003.7708@1.0025648 1.0025648 (1004.7781, 1999.5)(1005.785, 1202.71) 1 1003.7708 1003.7708@1.0025648 + 975.7486@1.0025648 1.0025648 (976.756, 10404.84)(958.7451, 8402.43)(959.7461, 5884.38)(960.7552, 12167.04)(961.759, 6491.52)(962.7658, 8729.24) 1 975.7486 975.7486@1.0025648 + 947.7198@1.0025648 1.0025648 (948.7271, 4910.42) 1 947.7198 947.7198@1.0025648 + 1016.7589@1.0025648 1.0025648 (1017.7662, 7292.93)(1018.7651, 7107.85)(1019.7675, 4124.19) 1 1016.7589 1016.7589@1.0025648 + 1000.7533@1.0025648 1.0025648 (1001.7601, 5458.34)(1002.7678, 5214.21)(1003.7695, 2838.87)(983.7504, 3966.56) 1 1000.7533 1000.7533@1.0025648 + 936.7491@1.003564 1.003564 (937.7563, 11248.96)(938.7601, 11628.58)(939.7578, 5823.72) 1 936.7491 936.7491@1.003564 + 946.7045@1.0045633 1.0045633 (947.7118, 2652.94) 1 946.7045 946.7045@1.0045633 + 923.717@1.0045633 1.0045633 (924.7243, 4442.82)(925.7247, 3542.95)(926.7418, 8860.35)(927.7452, 6113.05) 1 923.717 923.717@1.0045633 + 983.7458@1.0045633 1.0045633 (984.753, 10498.41)(985.7595, 6372.51)(986.7662, 7948.43)(987.7693, 4642.95) 1 983.7458 983.7458@1.0045633 + 977.7611@1.0045633 1.0045633 (978.7683, 8877.52)(979.7723, 5114.82)(980.7675, 5116.1)(981.7618, 3228.79)(982.749, 6326.21) 1 977.7611 977.7611@1.0045633 + 963.7508@1.0055627 1.0055627 (964.7581, 11524.92)(965.7519, 7538.63) 1 963.7508 963.7508@1.0055627 + 897.703@1.0055627 1.0055627 (898.7103, 1937.39)(899.7089, 1582.62)(900.7255, 4420.51)(901.7268, 3293.78) 1 897.703 897.703@1.0055627 + 907.7179@1.0065619 1.0065619 (908.7252, 3741.28)(909.7273, 3133.65) 1 907.7179 907.7179@1.0065619 + 927.7509@1.0065619 1.0065619 (928.7574, 13471.73)(929.7618, 7994.31)(950.7412, 11179.19)(951.7459, 7578.64)(952.7572, 15929.13)(953.761, 9652.92)(954.7684, 11101.07) 1 927.7509 927.7509@1.0065619 + 922.7052@1.0075611 1.0075611 (923.7096, 2456.53)(940.7391, 51124.21)(941.7416, 36408.45) 1 922.7052 922.7052@1.0075611 + 989.7444@1.0075611 1.0075611 (990.7517, 14726.45)(991.7557, 10172.02)(992.7683, 52395.36)(993.7718, 36067.33) 1 989.7444 989.7444@1.0075611 + 913.7186@1.0075611 1.0075611 (914.7258, 10047.95)(915.728, 6982.06) 1 913.7186 913.7186@1.0075611 + 882.7018@1.0075611 1.0075611 (883.7099, 1681.04)(905.6896, 1285.62) 1 882.7018 882.7018@1.0075611 + 861.6825@1.0075611 1.0075611 (862.6898, 3400.85)(863.6901, 2307.89) 1 861.6825 861.6825@1.0075611 + 845.6417@1.0085603 1.0085603 (846.649, 1322.64)(847.6475, 958.65)(848.6451, 1418.24) 1 845.6417 845.6417@1.0085603 + 835.6555@1.010559 1.010559 (836.6628, 2274.1)(837.65, 1366.21) 1 835.6555 835.6555@1.010559 + 954.7639@1.010559 1.010559 (955.7712, 4347.66)(956.7718, 4474.66)(957.7536, 2846.33) 1 954.7639 954.7639@1.010559 + 624.2278@1.010559 1.010559 (625.2351, 1212.82) 1 624.2278 624.2278@1.010559 + 799.2422@1.0143118 1.0143118 (800.2492, 5216.922)(801.24695, 3914.17)(802.2465, 2139.7622) 5 799.2422 799.2422@1.0143118 + 763.6254@1.011558 1.011558 (764.6327, 5409.93)(765.6324, 2513.64) 1 763.6254 763.6254@1.011558 + 1133.2747@1.011558 1.011558 (1134.282, 1063.44)(1135.2845, 759.13) 1 1133.2747 1133.2747@1.011558 + 808.6099@1.011558 1.011558 (809.6125, 1518.24)(826.646, 1876.21)(827.6428, 1036.17) 1 808.6099 808.6099@1.011558 + 789.6252@1.011558 1.011558 (790.6325, 2936.25)(791.6161, 1549.59) 1 789.6252 789.6252@1.011558 + 821.6324@1.0125574 1.0125574 (822.6397, 2140.27)(823.6363, 1306.79)(824.6412, 2262.52)(825.6421, 1161.48) 1 821.6324 821.6324@1.0125574 + 791.6458@1.0125574 1.0125574 (792.6531, 3380.3)(793.6482, 1981.16)(794.6671, 1577.96) 1 791.6458 791.6458@1.0125574 + 765.6456@1.033159 1.033159 (766.6526, 2671.0625)(767.65485, 1663.8232)(783.6681, 3130.62) 4 765.6456 765.6456@1.033159 + 838.6703@1.0135567 1.0135567 (839.6776, 1827.13) 1 838.6703 838.6703@1.0135567 + 819.2072@1.0131143 1.0131143 (820.2054, 3973.0703)(821.20215, 2772.632)(822.19666, 2363.834) 5 819.2072 819.2072@1.0131143 + 875.7151@1.0145559 1.0145559 (876.7224, 4266.23)(877.7261, 2878.73)(878.739, 7034.58)(879.7443, 4328.6)(880.7534, 4782.37) 1 875.7151 875.7151@1.0145559 + 948.7201@1.0145559 1.0145559 (949.7272, 3394.66)(966.754, 63979.59)(967.7572, 47668.46)(968.7688, 99441.67)(969.7725, 61032.99)(970.7823, 52957.59) 1 948.7201 948.7201@1.0145559 + 805.6307@1.0145559 1.0145559 (806.6379, 1635.08)(807.6357, 1182.27)(808.6271, 1920.01) 1 805.6307 805.6307@1.0145559 + 799.6144@1.0165544 1.0165544 (800.6185, 2287.92)(801.6231, 1930.83)(782.6135, 2773.23)(783.603, 1795.44) 1 799.6144 799.6144@1.0165544 + 693.554@1.017535 1.017535 (694.5599, 2586.6934)(695.56616, 2867.08) 3 693.554 693.554@1.017535 + 929.766@1.0175537 1.0175537 (930.7733, 14521.05)(931.7759, 8185.28)(932.7865, 11946.8)(933.7838, 6824.69)(934.7894, 5102.08) 1 929.766 929.766@1.0175537 + 743.5801@1.0175537 1.0175537 (744.5874, 4704.64)(745.5908, 2563.85)(746.6028, 7461.47)(747.6046, 3936.71)(748.6054, 3808.46) 1 743.5801 743.5801@1.0175537 + 809.584@1.0175537 1.0175537 (810.5913, 6558.8)(811.5965, 3423.32)(812.5975, 3197.63) 1 809.584 809.584@1.0175537 + 993.7747@1.0320239 1.0320239 (994.7825, 18438.805)(995.7874, 1090.46)(996.7895, 1114.43) 2 993.7747 993.7747@1.0320239 + 827.6402@1.0504946 1.0504946 (828.64777, 1284.2999)(829.65155, 965.94)(830.64856, 1044.46) 3 827.6402 827.6402@1.0504946 + 863.6991@1.0185529 1.0185529 (864.7064, 5536.59)(865.7085, 3125.23)(866.7222, 7422.32) 1 863.6991 863.6991@1.0185529 + 740.5412@1.0185529 1.0185529 (741.5485, 1758.36)(742.5704, 1790.96)(743.5652, 1616.28) 1 740.5412 740.5412@1.0185529 + 690.19@1.0185529 1.0185529 (691.1973, 6749.63)(692.1971, 1864.9) 1 690.19 690.19@1.0185529 + 777.5934@1.0185529 1.0185529 (778.6016, 9870.8)(779.6028, 5119.17)(780.6114, 3331.59)(795.6235, 2006.2) 1 777.5934 777.5934@1.0185529 + 866.7149@1.0195521 1.0195521 (867.7222, 4775.27) 1 866.7149 866.7149@1.0195521 + 754.5944@1.0195521 1.0195521 (755.6017, 28048.79)(756.6059, 10751.73)(757.6085, 3373.75) 1 754.5944 754.5944@1.0195521 + 883.7204@1.0195521 1.0195521 (884.7276, 2860.18)(885.7251, 2005.08)(886.7473, 6943.82)(887.7476, 3880.56)(888.7603, 7354.71) 1 883.7204 883.7204@1.0195521 + 839.6932@1.0205514 1.0205514 (840.7005, 2993.33)(841.7017, 1766.14) 1 839.6932 839.6932@1.0205514 + 707.571@1.0205514 1.0205514 (708.5763, 2326.76)(709.5693, 1443.31)(710.5801, 3526.2)(725.6071, 1444.18) 1 707.571 707.571@1.0205514 + 889.7167@1.0205514 1.0205514 (890.7239, 7738.46)(891.7252, 5111.73)(892.7388, 20651.45)(893.7416, 12941.6) 1 889.7167 889.7167@1.0205514 + 1204.3077@1.0215507 1.0215507 (1205.3151, 922.66)(1206.3116, 1028.16)(1207.3093, 847.99) 1 1204.3077 1204.3077@1.0215507 + 703.5784@1.0225499 1.0225499 (704.5857, 3959.98)(705.5909, 2704.92) 1 703.5784 703.5784@1.0225499 + 660.5453@1.0304518 1.0304518 (661.5553, 2671.816) 5 660.5453 660.5453@1.0304518 + 450.4227@1.0225499 1.0225499 (451.43, 1973.52)(452.4304, 1003.98) 1 450.4227 450.4227@1.0225499 + 733.5781@1.0697594 1.0697594 (734.57996, 3056.75)(735.5753, 2062.69)(736.5899, 10611.02)(737.5944, 5463.84)(738.603, 8401.32) 2 733.5781 733.5781@1.0697594 + 490.4504@1.0225499 1.0225499 (491.4576, 1709.8)(492.464, 826.52)(493.4595, 1107.57) 1 490.4504 490.4504@1.0225499 + 1020.7793@1.0235492 1.0235492 (1021.7865, 1341.01)(1022.81, 1404.65)(1023.8119, 1192.57) 1 1020.7793 1020.7793@1.0235492 + 658.5841@1.0235492 1.0235492 (659.5914, 2146.08)(660.6042, 1309.27) 1 658.5841 658.5841@1.0235492 + 815.5628@1.0245484 1.0245484 (816.57, 1668.87)(817.5725, 1202.5)(818.5805, 4843.66)(819.584, 2749.76)(820.5922, 858.96) 1 815.5628 815.5628@1.0245484 + 873.5597@1.0245484 1.0245484 (874.567, 1866.51)(875.5678, 745.87)(876.5677, 734.07) 1 873.5597 873.5597@1.0245484 + 604.5439@1.0245484 1.0245484 (605.5512, 3962.21)(606.55, 2516.4) 1 604.5439 604.5439@1.0245484 + 710.5762@1.1040322 1.1040322 (711.57855, 3983.3142)(712.5892, 3938.04)(728.60974, 3327.755)(729.60596, 1716.5934) 7 710.5762 710.5762@1.1040322 + 641.5411@1.0255476 1.0255476 (642.5484, 6831.6)(643.5676, 3931.23)(644.5386, 2210.95) 1 641.5411 641.5411@1.0255476 + 677.4732@1.0255476 1.0255476 (678.4805, 2647.03)(679.4796, 1879.9)(680.4825, 7221.89) 1 677.4732 677.4732@1.0255476 + 811.6455@1.0330234 1.0330234 (812.65344, 3868.865)(813.6561, 2376.15)(814.6515, 2288.73) 2 811.6455 811.6455@1.0330234 + 803.5978@1.0553193 1.0553193 (804.6026, 1779.97)(805.60144, 1157.06)(786.5913, 1274.21)(787.6052, 781.65)(826.5903, 1279.48)(827.5968, 813.37) 2 803.5978 803.5978@1.0553193 + 632.5749@1.0285454 1.0285454 (633.5822, 2440.24) 1 632.5749 632.5749@1.0285454 + 906.7694@1.0295446 1.0295446 (907.7769, 15341.35)(908.7816, 9501.45)(909.7812, 4682.81)(889.7655, 3832.0) 1 906.7694 906.7694@1.0295446 + 1331.8813@1.0295446 1.0295446 (1332.8885, 1525.14)(1333.8907, 1743.04)(1334.9031, 4230.67)(1335.9064, 3054.84)(1336.9115, 1209.09) 1 1331.8813 1331.8813@1.0295446 + 613.5613@1.0305439 1.0305439 (614.5686, 16856.49)(615.5701, 7331.65)(616.5806, 2750.99) 1 613.5613 613.5613@1.0305439 + 1389.8851@1.0345408 1.0345408 (1390.8925, 1474.24)(1391.8958, 1345.38) 1 1389.8851 1389.8851@1.0345408 + 606.5588@1.0270442 1.0270442 (607.5674, 2882.745)(608.5695, 2317.3767)(589.55676, 1637.03)(590.5427, 1213.03)(591.5697, 2667.56) 6 606.5588 606.5588@1.0270442 + 1315.8857@1.0345408 1.0345408 (1316.8931, 924.42)(1317.8948, 1232.51)(1318.905, 1093.2) 1 1315.8857 1315.8857@1.0345408 + 665.5787@1.0355401 1.0355401 (666.586, 1756.05)(667.5891, 972.26) 1 665.5787 665.5787@1.0355401 + 489.4347@1.0402797 1.0402797 (490.4432, 1965.3989)(491.4462, 1062.615) 9 489.4347 489.4347@1.0402797 + 791.5788@1.0355401 1.0355401 (792.5861, 1500.72)(793.5918, 1189.65)(794.6011, 2122.13) 1 791.5788 791.5788@1.0355401 + 1613.726@1.0375385 1.0375385 (1614.7332, 1589.95) 1 1613.726 1613.726@1.0375385 + 1613.2336@1.0385379 1.0385379 (1614.2408, 1589.64) 1 1613.2336 1613.2336@1.0385379 + 370.3083@1.0547917 1.0547917 (371.31525, 8606.365)(372.3192, 3555.97)(353.305, 7264.71)(354.3059, 2667.31)(388.34225, 1983.23)(389.343, 582.24) 2 370.3083 370.3083@1.0547917 + 1043.6022@1.0420346 1.0420346 (1044.6086, 1661.3475)(1045.6124, 1343.0233) 4 1043.6022 1043.6022@1.0420346 + 1183.5905@1.0421665 1.0421665 (1184.5979, 1296.895)(1185.6008, 984.135) 2 1183.5905 1183.5905@1.0421665 + 601.4588@1.071573 1.071573 (602.4628, 5631.678)(603.45715, 2968.548)(604.4704, 4264.782)(624.4481, 10524.9)(625.4518, 5079.2) 7 601.4588 601.4588@1.071573 + 346.1811@1.043534 1.043534 (347.1884, 1300.33) 1 346.1811 346.1811@1.043534 + 618.5945@1.0445331 1.0445331 (619.6018, 2932.13)(620.6061, 1177.65) 1 618.5945 618.5945@1.0445331 + 593.437@1.0465317 1.0465317 (594.4442, 1912.05)(595.4594, 1539.32) 1 593.437 593.437@1.0465317 + 815.6985@1.0465317 1.0465317 (816.7058, 3790.6)(817.7098, 2605.57)(818.7234, 6226.99)(819.7275, 3530.71)(820.7366, 2586.94) 1 815.6985 815.6985@1.0465317 + 628.4467@1.0465317 1.0465317 (629.454, 2366.8) 1 628.4467 628.4467@1.0465317 + 485.4038@1.0454702 1.0454702 (486.41046, 2600.83)(487.41354, 1264.005) 2 485.4038 485.4038@1.0454702 + 439.3215@1.0475309 1.0475309 (440.3288, 1059.67) 1 439.3215 439.3215@1.0475309 + 973.8038@1.0475309 1.0475309 (974.811, 5786.62)(975.8177, 2911.45) 1 973.8038 973.8038@1.0475309 + 434.3518@1.0485301 1.0485301 (435.3591, 3608.58) 1 434.3518 434.3518@1.0485301 + 534.3972@1.0639528 1.0639528 (535.4088, 3745.355)(536.3888, 3789.6)(537.4089, 4619.36)(557.3906, 3392.36) 2 534.3972 534.3972@1.0639528 + 371.0643@1.1474504 1.1474504 (372.0716, 1315.18) 1 371.0643 371.0643@1.1474504 + 321.2874@1.1696874 1.1696874 (322.29462, 11675.12)(323.29767, 3193.89) 5 321.2874 321.2874@1.1696874 + 503.4059@1.2344778 1.2344778 (504.41888, 2724.675)(505.4275, 1176.59) 2 503.4059 503.4059@1.2344778 + 305.2157@1.1804223 1.1804223 (306.223, 1482.69) 1 305.2157 305.2157@1.1804223 + 132.0793@1.1883037 1.1883037 (282.1928, 2460.8901)(133.08702, 21503.8)(134.08977, 1850.9492)(135.0803, 4136.09)(155.0746, 1345.57) 13 132.0793 132.0793@1.1883037 + 379.3294@1.1959944 1.1959944 (380.33667, 58576.293)(381.33984, 18719.734)(382.3397, 4370.57)(397.3663, 2178.56) 3 379.3294 379.3294@1.1959944 + 439.2792@1.1860136 1.1860136 (440.2861, 2561.745)(441.2945, 1784.18) 2 439.2792 439.2792@1.1860136 + 287.2099@1.2073035 1.2073035 (592.4545, 3660.25)(593.4575, 2201.89)(288.21637, 3681.77) 2 287.2099 287.2099@1.2073035 + 309.2645@1.1962373 1.1962373 (310.27213, 6384.6777)(311.2767, 3905.57) 4 309.2645 309.2645@1.1962373 + 871.7623@1.1974075 1.1974075 (872.7696, 5818.01)(873.7735, 3474.16)(874.7856, 60864.87) 1 871.7623 871.7623@1.1974075 + 320.185@1.2009966 1.2009966 (321.1929, 2017.2549)(338.21863, 7031.45)(339.21844, 2303.32) 2 320.185 320.185@1.2009966 + 238.1545@1.150821 1.150821 (477.3174, 2732.08)(239.15947, 7344.1104)(240.16026, 1993.9349)(241.1438, 1582.4)(261.1456, 2873.98) 4 238.1545 238.1545@1.150821 + 847.7621@1.2044015 1.2044015 (848.7694, 8615.46)(849.7721, 4735.52)(850.7839, 5628.46) 1 847.7621 847.7621@1.2044015 + 368.3428@1.2044015 1.2044015 (369.3501, 13823.05) 1 368.3428 368.3428@1.2044015 + 904.7483@1.2054005 1.2054005 (905.7556, 2068.03)(906.7599, 1395.73)(907.7702, 2062.5) 1 904.7483 904.7483@1.2054005 + 927.8233@1.2063997 1.2063997 (928.8305, 3370.55)(929.8348, 1990.74)(930.8398, 1019.66) 1 927.8233 927.8233@1.2063997 + 277.1932@1.2095205 1.2095205 (555.402, 892.98)(572.4292, 977.39)(278.20447, 4563.8535)(295.2257, 5077.55) 3 277.1932 277.1932@1.2095205 + 861.7782@1.2484211 1.2484211 (862.7852, 1584.725)(863.78796, 1028.445) 2 861.7782 861.7782@1.2484211 + 365.1713@1.206843 1.206843 (366.1818, 3400.5764)(367.1761, 1815.05)(368.1669, 1383.7)(348.1753, 1943.21) 6 365.1713 365.1713@1.206843 + 887.7939@1.2073987 1.2073987 (888.8012, 1728.8)(889.8031, 1051.87)(890.8119, 920.85) 1 887.7939 887.7939@1.2073987 + 231.1543@1.2083979 1.2083979 (232.1616, 1629.4) 1 231.1543 231.1543@1.2083979 + 850.781@1.2093971 1.2093971 (851.7882, 2794.22)(852.7926, 1056.27) 1 850.781 850.781@1.2093971 + 683.1958@1.1805073 1.1805073 (684.20276, 370498.8)(685.20374, 246926.95)(686.2018, 189614.9) 2 683.1958 683.1958@1.1805073 + 953.8376@1.2123944 1.2123944 (954.8449, 894.75) 1 953.8376 953.8376@1.2123944 + 244.1797@1.2112293 1.2112293 (506.3945, 1375.0)(245.18776, 4486.8604)(246.19264, 1487.6725) 8 244.1797 244.1797@1.2112293 + 424.3234@1.2193881 1.2193881 (425.3307, 2895.4) 1 424.3234 424.3234@1.2193881 + 484.3423@1.2343614 1.2343614 (485.3517, 2069.1199)(486.35046, 782.675)(487.3464, 270.89)(507.3309, 1102.08) 3 484.3423 484.3423@1.2343614 + C20 H45 N7 O 1.2226832 [ C20 H45 N7 O, mfg=47.01, overall=47.01 ] (400.37845, 3851.2915)(401.38055, 1276.0769)(402.381, 1285.9)(382.3648, 1830.77) 16 399.3709 C20 H45 N7 O + 424.2798@1.23243 1.23243 (425.28857, 16920.365)(426.3028, 29609.83) 6 424.2798 424.2798@1.23243 + 194.1155@1.2306736 1.2306736 (195.12283, 55030.508)(196.12778, 5355.674)(197.1217, 2153.23)(177.1098, 3310.49) 13 194.1155 194.1155@1.2306736 + 210.1622@1.2130898 1.2130898 (211.17053, 36998.504)(212.16911, 5203.8364)(213.1812, 1949.58)(228.1956, 724327.7)(229.1994, 199898.86)(230.2026, 23640.31)(231.2023, 1732.45) 4 210.1622 210.1622@1.2130898 + 928.8253@1.2333755 1.2333755 (929.8325, 1193.89) 1 928.8253 928.8253@1.2333755 + 336.2454@1.2363728 1.2363728 (337.2527, 4068.82) 1 336.2454 336.2454@1.2363728 + 225.0766@1.2403693 1.2403693 (226.0839, 4027.18)(227.0916, 1409.96) 1 225.0766 225.0766@1.2403693 + 471.2109@1.2485666 1.2485666 (472.21857, 1864.76) 2 471.2109 471.2109@1.2485666 + 563.4382@1.2447988 1.2447988 (564.44257, 3330.7744)(565.4483, 1832.7186) 9 563.4382 563.4382@1.2447988 + 416.3961@1.2502506 1.2502506 (417.40372, 2154.4268)(418.4065, 1087.17) 3 416.3961 416.3961@1.2502506 + 290.2067@1.2311251 1.2311251 (291.21182, 3446.8633)(292.212, 2495.45)(308.24042, 6056.1396) 3 290.2067 290.2067@1.2311251 + 468.2368@1.1997652 1.1997652 (469.24203, 1690.21)(470.2365, 1415.05) 5 468.2368 468.2368@1.1997652 + 464.4311@1.2503603 1.2503603 (465.4384, 1396.51) 1 464.4311 464.4311@1.2503603 + 693.4652@1.2513592 1.2513592 (694.4733, 920.31)(695.4751, 604.9)(696.4529, 445.94)(711.4981, 815.6) 1 693.4652 693.4652@1.2513592 + 279.1774@1.2523583 1.2523583 (280.1846, 5063.27) 1 279.1774 279.1774@1.2523583 + 290.1756@1.2544127 1.2544127 (581.3664, 738.21)(291.1821, 4855.7437)(273.1738, 3401.22)(308.20987, 14868.031)(309.2116, 6015.3) 6 290.1756 290.1756@1.2544127 + 403.2236@1.2592273 1.2592273 (404.2292, 2850.975) 2 403.2236 403.2236@1.2592273 + 482.3302@1.2563547 1.2563547 (483.3375, 2027.24) 1 482.3302 482.3302@1.2563547 + 451.3121@1.2563547 1.2563547 (452.3194, 2623.82) 1 451.3121 451.3121@1.2563547 + 607.4602@1.2914741 1.2914741 (608.4647, 2936.93)(609.4842, 2879.41) 2 607.4602 607.4602@1.2914741 + 781.5545@1.256961 1.256961 (782.56433, 2235.02)(783.5639, 1698.32)(764.5562, 916.14)(765.5684, 817.57)(766.5489, 1446.63)(799.584, 676.02)(804.5418, 1073.17) 2 781.5545 781.5545@1.256961 + 703.4892@1.2573538 1.2573538 (704.4965, 1011.03) 1 703.4892 703.4892@1.2573538 + 110.0729@1.257341 1.257341 (221.15445, 2882.48)(238.17969, 3738.835)(111.0803, 4537.5083)(112.0757, 1785.96)(93.0694, 3020.0298)(128.10678, 3644.47) 5 110.0729 110.0729@1.257341 + 625.4977@1.2474816 1.2474816 (626.51013, 1935.8776)(627.5104, 1000.68)(628.4982, 11021.54)(629.5019, 4493.42) 4 625.4977 625.4977@1.2474816 + 485.4029@1.257535 1.257535 (486.41095, 1022.46497) 2 485.4029 485.4029@1.257535 + 603.504@1.2583528 1.2583528 (604.5113, 1412.3) 1 603.504 603.504@1.2583528 + 645.4674@1.2585154 1.2585154 (646.47437, 1300.7749)(647.4675, 1348.0)(648.4622, 1394.21)(668.4612, 648.5) 2 645.4674 645.4674@1.2585154 + 543.4014@1.2699611 1.2699611 (544.41205, 2053.68)(545.4156, 1278.1167)(546.3998, 29272.47)(566.39075, 8499.73)(567.3949, 3184.34)(568.3952, 1595.96) 4 543.4014 543.4014@1.2699611 + 552.4801@1.2618493 1.2618493 (553.49005, 4384.967)(554.49176, 1761.3617)(555.489, 1084.6274)(570.5227, 772.76)(575.4745, 1426.8121) 11 552.4801 552.4801@1.2618493 + 782.5781@1.2595596 1.2595596 (783.588, 2226.825)(784.588, 1496.135) 2 782.5781 782.5781@1.2595596 + 744.6315@1.258117 1.258117 (745.63965, 1647.305)(746.6414, 1014.49664)(767.61633, 1042.9299)(768.6257, 626.97)(769.6281, 788.83) 4 744.6315 744.6315@1.258117 + 538.4693@1.2657939 1.2657939 (539.47614, 1884.9275)(521.4616, 580.9) 4 538.4693 538.4693@1.2657939 + 9,12-dioxo-dodecanoic acid 1.2607647 9,12-dioxo-dodecanoic acid [ C12 H20 O4, mfg=47.62, db=21.25, overall=34.43, METLIN ID=35782 ] (246.17, 9626.945)(247.1679, 3398.33)(248.1593, 2078.49) 14 245.1626 9,12-dioxo-dodecanoic acid + 606.4982@1.2637184 1.2637184 (607.5008, 7850.5522)(608.50775, 3260.22)(609.5156, 14148.56)(589.4871, 1624.71)(624.5338, 2281.905) 5 606.4982 606.4982@1.2637184 + 562.5034@1.2570657 1.2570657 (563.50757, 3676.0967)(564.5085, 1760.6334)(565.4927, 5640.3)(545.5034, 3871.525)(546.50525, 2041.27)(547.4846, 4294.16) 3 562.5034 562.5034@1.2570657 + 417.2@1.2578875 1.2578875 (418.20758, 3470.48)(419.21088, 1870.85) 2 417.2 417.2@1.2578875 + 737.5247@1.2622805 1.2622805 (738.5329, 5196.525)(739.5371, 982.86)(740.5505, 1519.87)(760.51355, 2826.245)(761.517, 1725.495)(762.5248, 1575.01) 2 737.5247 737.5247@1.2622805 + 601.483@1.2623491 1.2623491 (602.4887, 1378.02)(624.4732, 1392.73)(625.4607, 1024.8) 1 601.483 601.483@1.2623491 + 9Z-undecenoic acid 1.2570957 9Z-undecenoic acid [ C11 H20 O2, mfg=47.62, db=47.53, overall=47.57, METLIN ID=34887 ] (185.1536, 1725.8163)(202.17851, 3611.875)(203.17984, 915.45996)(207.13542, 3829.8884) 8 184.1452 9Z-undecenoic acid + 546.3961@1.2638242 1.2638242 (547.40344, 8265.46)(548.40393, 2965.83)(549.4154, 3608.7998)(550.4054, 1840.77)(551.3976, 458.95) 2 546.3961 546.3961@1.2638242 + 409.2644@1.2619376 1.2619376 (410.2739, 4724.4546)(411.2797, 2427.4534)(412.28284, 4775.56) 4 409.2644 409.2644@1.2619376 + 578.4519@1.2638876 1.2638876 (579.461, 5876.78)(580.4563, 4931.57) 2 578.4519 578.4519@1.2638876 + 439.35@1.3014245 1.3014245 (440.3563, 6593.487)(441.36624, 2699.035) 3 439.35 439.35@1.3014245 + 211.1572@1.2683437 1.2683437 (212.1645, 38008.82)(213.1667, 6013.07) 1 211.1572 211.1572@1.2683437 + 1129.3066@1.2703418 1.2703418 (1130.3138, 2609.11)(1131.3134, 1697.16)(1132.3123, 1310.7) 1 1129.3066 1129.3066@1.2703418 + 419.3242@1.268527 1.268527 (420.3313, 26749.725)(421.33496, 7997.85) 2 419.3242 419.3242@1.268527 + 848.766@1.2753371 1.2753371 (849.7733, 3698.42) 1 848.766 848.766@1.2753371 + 897.7766@1.2753371 1.2753371 (898.7838, 1581.59)(899.7858, 1283.32) 1 897.7766 897.7766@1.2753371 + 638.4955@1.2763362 1.2763362 (639.5028, 872.17) 1 638.4955 638.4955@1.2763362 + 923.7925@1.2773353 1.2773353 (924.7997, 2501.57)(925.8036, 1599.53) 1 923.7925 923.7925@1.2773353 + 949.8057@1.2793334 1.2793334 (950.813, 1404.55)(951.8188, 1002.79) 1 949.8057 949.8057@1.2793334 + 431.2303@1.1848487 1.1848487 (432.23816, 923269.2)(433.24158, 254737.16)(434.244, 60109.652)(435.2469, 8874.335) 4 431.2303 431.2303@1.1848487 + 783.6559@1.2863268 1.2863268 (784.6631, 1972.9)(785.6667, 1056.04) 1 783.6559 783.6559@1.2863268 + 908.7819@1.2873259 1.2873259 (909.7831, 741.14)(926.8158, 4705.11)(927.8205, 3348.26)(931.7725, 1036.99) 1 908.7819 908.7819@1.2873259 + 321.1162@1.288325 1.288325 (322.1234, 2316.01) 1 321.1162 321.1162@1.288325 + 887.7944@1.290323 1.290323 (888.8016, 2429.5)(889.8054, 1874.07) 1 887.7944 887.7944@1.290323 + 904.7495@1.2913222 1.2913222 (905.7568, 2093.55)(906.7606, 1482.74)(907.7711, 4147.17) 1 904.7495 904.7495@1.2913222 + 320.2197@1.2985283 1.2985283 (321.2271, 2218.4502)(322.2303, 922.23) 2 320.2197 320.2197@1.2985283 + 878.734@1.2953184 1.2953184 (879.7413, 5183.0)(880.7443, 3507.87)(881.7564, 10741.15)(882.76, 5928.73)(883.7629, 1283.74) 1 878.734 878.734@1.2953184 + 540.4489@1.3184572 1.3184572 (541.45496, 2742.267)(542.457, 1197.1708)(523.44727, 1039.8833)(524.4507, 744.85)(563.4378, 1432.1609)(564.4371, 932.20374) 15 540.4489 540.4489@1.3184572 + 927.8242@1.3023117 1.3023117 (928.8315, 6025.79)(929.835, 3295.81)(930.8446, 1981.58) 1 927.8242 927.8242@1.3023117 + 854.7338@1.3043097 1.3043097 (855.7411, 1691.28)(856.7444, 985.65) 1 854.7338 854.7338@1.3043097 + 424.3029@1.3270106 1.3270106 (425.30762, 1616.8049)(442.33716, 22289.145)(443.34064, 5815.6846)(444.3405, 1835.625)(447.2862, 1310.56) 2 424.3029 424.3029@1.3270106 + 191.1305@1.3182964 1.3182964 (192.1377, 13454.57) 1 191.1305 191.1305@1.3182964 + 213.1724@1.3283358 1.3283358 (214.17932, 9219.901)(215.18245, 1924.175)(236.16255, 1490.465) 10 213.1724 213.1724@1.3283358 + 981.2703@1.33528 1.33528 (982.2776, 1533.66)(983.2762, 1095.69)(984.2754, 1130.76) 1 981.2703 981.2703@1.33528 + 179.1667@1.3457685 1.3457685 (180.17435, 2971.8525) 4 179.1667 179.1667@1.3457685 + 438.3456@1.3492663 1.3492663 (439.3528, 2996.1)(440.3514, 1171.89) 1 438.3456 438.3456@1.3492663 + 337.215@1.285275 1.285275 (338.2193, 4265.12)(339.2187, 1564.14)(360.2066, 1856.34) 4 337.215 337.215@1.285275 + 227.1523@1.3604636 1.3604636 (228.15955, 5275.675)(229.15976, 1662.54)(210.148, 1037.17) 2 227.1523 227.1523@1.3604636 + 1349.3629@1.2917104 1.2917104 (1350.3696, 1784.985)(1351.372, 2103.8901)(1352.3694, 2431.71)(1353.3691, 3289.17)(1354.3674, 1689.31) 2 1349.3629 1349.3629@1.2917104 + 161.0144@1.3662493 1.3662493 (162.0217, 2531.5) 1 161.0144 161.0144@1.3662493 + 412.3278@1.3319534 1.3319534 (847.6393, 509.09)(413.3369, 1669.5634) 3 412.3278 412.3278@1.3319534 + 929.8407@1.3922232 1.3922232 (930.8479, 1618.29)(931.8494, 1299.5) 1 929.8407 929.8407@1.3922232 + 422.1949@1.3318657 1.3318657 (423.20367, 1449.26)(440.2301, 2661.1) 2 422.1949 422.1949@1.3318657 + 547.4443@1.4196659 1.4196659 (548.45013, 1598.2833)(549.45105, 946.2525) 6 547.4443 547.4443@1.4196659 + 345.2515@1.4190615 1.4190615 (691.5072, 571.36)(346.25864, 3117.2168)(347.25858, 1393.7733) 3 345.2515 345.2515@1.4190615 + 569.4496@1.4122027 1.4122027 (570.4569, 8454.32)(571.4594, 2066.04)(572.4571, 1070.12) 1 569.4496 569.4496@1.4122027 + 257.1628@1.4161987 1.4161987 (258.17, 3487.84)(259.1764, 1079.12) 1 257.1628 257.1628@1.4161987 + 717.566@1.4171976 1.4171976 (718.574, 1957.89)(719.5726, 962.55)(700.5606, 926.24) 1 717.566 717.566@1.4171976 + 402.2847@1.4423535 1.4423535 (403.2925, 2357.5442)(404.29468, 1079.8966) 5 402.2847 402.2847@1.4423535 + 215.1842@1.4408197 1.4408197 (216.19295, 2501.95) 2 215.1842 215.1842@1.4408197 + 266.1524@1.4332364 1.4332364 (550.338, 697.47)(267.15903, 7079.4214)(268.1596, 1601.5281)(249.1497, 3413.13)(289.1419, 1077.66) 9 266.1524 266.1524@1.4332364 + 386.3187@1.4461673 1.4461673 (387.3286, 881.61)(409.307, 2039.86) 1 386.3187 386.3187@1.4461673 + 875.7943@1.452161 1.452161 (876.8015, 1789.94)(877.8042, 1113.31)(878.8133, 1013.76) 1 875.7943 875.7943@1.452161 + 783.6582@1.4531599 1.4531599 (784.6654, 1452.07)(785.6676, 769.55) 1 783.6582 783.6582@1.4531599 + 1349.3635@1.4991103 1.4991103 (1350.3707, 1170.95)(1351.3698, 1249.96)(1352.3694, 1531.58)(1353.3699, 696.81) 1 1349.3635 1349.3635@1.4991103 + 717.5685@1.5071015 1.5071015 (718.5758, 1786.39)(719.5804, 1103.96) 1 717.5685 717.5685@1.5071015 + 218.0692@1.5090994 1.5090994 (219.0763, 18595.0)(220.0812, 3040.04)(236.1032, 4275.8)(241.0588, 4624.27)(242.0639, 1135.43) 1 218.0692 218.0692@1.5090994 + 755.5546@1.5851814 1.5851814 (756.5614, 1380.2251)(757.5632, 1050.485)(758.5751, 874.15) 2 755.5546 755.5546@1.5851814 + 374.2538@1.5307286 1.5307286 (375.26068, 1936.845)(376.2597, 1084.995) 2 374.2538 374.2538@1.5307286 + 455.2307@1.568033 1.568033 (456.238, 1117.87)(457.254, 776.24) 1 455.2307 455.2307@1.568033 + 353.1995@1.5386665 1.5386665 (354.21088, 2768.611)(355.21448, 1232.9884) 10 353.1995 353.1995@1.5386665 + 130.0433@1.5710295 1.5710295 (131.0505, 993.4) 1 130.0433 130.0433@1.5710295 + 235.1229@1.5766128 1.5766128 (236.13034, 12739.925)(237.1388, 2066.534)(258.1088, 761.4) 7 235.1229 235.1229@1.5766128 + 240.0786@1.5756781 1.5756781 (241.0849, 5800.535)(242.0955, 1035.67) 2 240.0786 240.0786@1.5756781 + 646.5489@1.5790204 1.5790204 (647.5562, 1171.15) 1 646.5489 646.5489@1.5790204 + 618.5204@1.581018 1.581018 (619.5277, 1607.5) 1 618.5204 618.5204@1.581018 + 264.0724@1.5853133 1.5853133 (265.08014, 50399.246)(266.08307, 7134.7)(267.0861, 1761.8) 2 264.0724 264.0724@1.5853133 + 475.2613@1.5900944 1.5900944 (476.27094, 2717.685)(477.2705, 742.2) 2 475.2613 475.2613@1.5900944 + 391.1692@1.5930891 1.5930891 (392.1759, 2058.6099) 2 391.1692 391.1692@1.5930891 + 445.3043@1.6059889 1.6059889 (446.3116, 1367.38) 1 445.3043 445.3043@1.6059889 + 613.4764@1.6259652 1.6259652 (614.4837, 4864.65)(615.4871, 1858.34)(616.4872, 799.97) 1 613.4764 613.4764@1.6259652 + 300.0077@1.627753 1.627753 (301.01505, 2203.78) 2 300.0077 300.0077@1.627753 + 266.1723@1.6548964 1.6548964 (267.17917, 3887.1387)(284.20642, 6682.4175)(285.2105, 1424.4644)(286.20126, 1677.225)(289.162, 1405.125) 12 266.1723 266.1723@1.6548964 + 422.1922@1.7028713 1.7028713 (423.1995, 894.66) 1 422.1922 422.1922@1.7028713 + 350.2069@1.7387718 1.7387718 (351.21417, 3124.4897)(352.22162, 1165.969) 10 350.2069 350.2069@1.7387718 + 325.2106@1.7717834 1.7717834 (326.2178, 6419.4)(327.2189, 1348.24) 1 325.2106 325.2106@1.7717834 + 445.3042@1.7804658 1.7804658 (446.3105, 1526.29)(447.306, 1142.14) 2 445.3042 445.3042@1.7804658 + 325.2176@1.8207186 1.8207186 (326.2232, 3039.22)(327.2148, 1119.25)(343.2517, 7126.77)(344.2489, 2431.94) 1 325.2176 325.2176@1.8207186 + 754.5528@1.8574187 1.8574187 (755.5602, 12193.853)(756.564, 6099.0996)(757.56323, 3761.365)(758.56854, 963.175) 4 754.5528 754.5528@1.8574187 + 759.5085@1.870565 1.870565 (760.5158, 5335.123)(761.5186, 2571.355)(762.5209, 1147.41) 3 759.5085 759.5085@1.870565 + 646.5513@1.8626616 1.8626616 (647.5586, 3852.59)(648.5618, 2108.58) 1 646.5513 646.5513@1.8626616 + 457.2652@1.8741821 1.8741821 (458.2727, 1812.9801)(459.27582, 839.74)(460.2756, 701.37) 7 457.2652 457.2652@1.8741821 + 214.1685@1.8756437 1.8756437 (215.1758, 3467.88) 1 214.1685 214.1685@1.8756437 + 542.214@1.9005421 1.9005421 (543.2225, 1113.4067)(544.223, 787.76) 3 542.214 542.214@1.9005421 + 618.5195@1.8786396 1.8786396 (619.5267, 5608.35)(620.5294, 2124.44) 1 618.5195 618.5195@1.8786396 + 500.1678@1.8796382 1.8796382 (501.1751, 1019.25) 1 500.1678 500.1678@1.8796382 + 514.183@1.9038241 1.9038241 (515.19073, 1530.0276)(516.19775, 580.935) 4 514.183 514.183@1.9038241 + 646.5505@1.8916215 1.8916215 (647.5577, 3722.92)(648.5625, 1844.87) 1 646.5505 646.5505@1.8916215 + 671.5179@1.8899052 1.8899052 (672.52563, 3812.48)(673.5266, 1699.26)(674.5286, 645.8) 2 671.5179 671.5179@1.8899052 + 383.2258@1.9095962 1.9095962 (384.2331, 1979.98)(385.2353, 840.48) 1 383.2258 383.2258@1.9095962 + 658.5044@1.9725258 1.9725258 (659.51245, 3271.1)(660.5149, 1004.065) 2 658.5044 658.5044@1.9725258 + 253.159@1.9974691 1.9974691 (254.1663, 11900.42)(255.1675, 2447.32) 1 253.159 253.159@1.9974691 + 277.096@2.1704931 2.1704931 (278.10284, 1646.21) 2 277.096 277.096@2.1704931 + 606.5593@2.1642108 2.1642108 (607.5665, 1628.12)(608.5682, 785.37) 1 606.5593 606.5593@2.1642108 + 641.5949@2.170201 2.170201 (642.6021, 2383.3)(643.6058, 1020.67) 1 641.5949 641.5949@2.170201 + 578.5259@2.172198 2.172198 (579.5332, 3125.88)(580.5375, 1262.33) 1 578.5259 578.5259@2.172198 + 534.0271@2.1751933 2.1751933 (535.0344, 5795.58)(536.0372, 1510.94)(537.0328, 1091.66) 1 534.0271 534.0271@2.1751933 + 498.0483@2.240086 2.240086 (499.0555, 1137.23) 1 498.0483 498.0483@2.240086 + 325.1717@2.2880843 2.2880843 (326.17926, 6519.1416)(327.18744, 1141.4501)(308.1663, 603.3) 8 325.1717 325.1717@2.2880843 + 368.1823@2.2863638 2.2863638 (369.1894, 3283.9546)(351.17966, 1739.8981) 7 368.1823 368.1823@2.2863638 + 246.1276@2.2886837 2.2886837 (247.13486, 24234.78)(248.13867, 3046.0515)(249.14076, 901.02167) 7 246.1276 246.1276@2.2886837 + 441.0524@2.2979872 2.2979872 (442.0597, 1119.91) 1 441.0524 441.0524@2.2979872 + 264.1378@2.3109648 2.3109648 (265.1455, 2258.95)(282.1715, 7577.61)(283.1745, 1881.93) 1 264.1378 264.1378@2.3109648 + 714.0564@2.3419108 2.3419108 (715.0637, 5199.56)(716.0662, 1200.25)(717.0603, 3006.52) 1 714.0564 714.0564@2.3419108 + 710.0627@2.346902 2.346902 (711.0699, 5637.41)(712.0674, 871.99) 1 710.0627 710.0627@2.346902 + 449.0404@2.3578823 2.3578823 (450.0477, 997.13) 1 449.0404 449.0404@2.3578823 + 500.0481@2.3748522 2.3748522 (501.0554, 1536.62) 1 500.0481 500.0481@2.3748522 + 371.2514@2.4013853 2.4013853 (372.2589, 7695.0254)(373.26178, 1598.315) 2 371.2514 371.2514@2.4013853 + 1197.0781@2.4028018 2.4028018 (1198.0854, 964.47) 1 1197.0781 1197.0781@2.4028018 + 706.0682@2.4087908 2.4087908 (707.0755, 1522.0) 1 706.0682 706.0682@2.4087908 + 337.0426@2.4187727 2.4187727 (338.0499, 1439.27) 1 337.0426 337.0426@2.4187727 + 296.1833@2.426758 2.426758 (297.1906, 9556.15)(298.1937, 2157.02) 1 296.1833 296.1833@2.426758 + 392.0425@2.465686 2.465686 (393.0498, 1577.57) 1 392.0425 392.0425@2.465686 + 1197.0717@2.47966 2.47966 (1198.0789, 1515.5) 1 1197.0717 1197.0717@2.47966 + 498.0479@2.481656 2.481656 (499.0552, 2266.74) 1 498.0479 498.0479@2.481656 + 716.053@2.4896412 2.4896412 (717.0603, 5847.63)(718.0602, 598.09)(719.0571, 2664.52) 1 716.053 716.053@2.4896412 + 371.2513@2.4996223 2.4996223 (372.2586, 6550.8)(373.2623, 1444.6) 1 371.2513 371.2513@2.4996223 + 712.0592@2.4996223 2.4996223 (713.0664, 12542.14)(714.0649, 1398.24) 1 712.0592 712.0592@2.4996223 + 498.0491@2.5195842 2.5195842 (499.0564, 2132.44) 1 498.0491 498.0491@2.5195842 + 392.0421@2.5235765 2.5235765 (393.0494, 2485.73) 1 392.0421 392.0421@2.5235765 + 551.0532@2.5595071 2.5595071 (552.0605, 1153.17) 1 551.0532 551.0532@2.5595071 + 710.0624@2.5605052 2.5605052 (711.0697, 12416.23)(712.0687, 1486.32)(713.0667, 13809.22)(714.0659, 1384.67)(715.0637, 10958.55)(716.0623, 1084.54)(717.0607, 3848.22)(718.0571, 554.72) 1 710.0624 710.0624@2.5605052 + 720.0464@2.5674913 2.5674913 (721.0537, 1447.97) 1 720.0464 720.0464@2.5674913 + 445.0454@2.5704856 2.5704856 (446.0527, 3268.86) 1 445.0454 445.0454@2.5704856 + 267.0948@2.6183908 2.6183908 (268.1021, 2547.24) 1 267.0948 267.0948@2.6183908 + 489.1125@2.665296 2.665296 (490.1198, 4533.04) 1 489.1125 489.1125@2.665296 + 274.9865@2.6782696 2.6782696 (275.9938, 2528.17) 1 274.9865 274.9865@2.6782696 + 538.0764@2.6782696 2.6782696 (539.0836, 1317.09) 1 538.0764 538.0764@2.6782696 + 309.1244@2.6842573 2.6842573 (310.1316, 2234.0) 1 309.1244 309.1244@2.6842573 + 410.14@2.7029798 2.7029798 (411.14755, 3220.97) 2 410.14 410.14@2.7029798 + 386.1429@2.6962326 2.6962326 (387.1502, 5416.35) 1 386.1429 386.1429@2.6962326 + 494.0685@2.7065525 2.7065525 (495.07584, 10394.996)(496.07858, 1941.5033)(497.07925, 865.525) 3 494.0685 494.0685@2.7065525 + 700.1294@2.6992264 2.6992264 (701.1404, 668.01)(683.126, 6633.53) 1 700.1294 700.1294@2.6992264 + 681.1217@2.7044668 2.7044668 (682.1287, 4192.315) 2 681.1217 681.1217@2.7044668 + 416.0916@2.7327435 2.7327435 (417.09857, 4745.408)(418.10147, 1258.93) 5 416.0916 416.0916@2.7327435 + 572.1917@2.7373486 2.7373486 (573.1985, 1968.7849) 2 572.1917 572.1917@2.7373486 + 429.1467@2.706212 2.706212 (430.154, 2757.75)(431.1558, 905.18) 1 429.1467 429.1467@2.706212 + 314.0816@2.7112017 2.7112017 (315.0888, 2086.76) 1 314.0816 314.0816@2.7112017 + 680.126@2.7221787 2.7221787 (681.1332, 887.33) 1 680.126 680.126@2.7221787 + 493.0724@2.7261705 2.7261705 (494.0796, 4595.43) 1 493.0724 493.0724@2.7261705 + 310.9656@2.73116 2.73116 (311.9729, 844.92) 1 310.9656 310.9656@2.73116 + 228.9802@2.73116 2.73116 (229.9874, 3440.02)(230.9885, 608.01) 1 228.9802 228.9802@2.73116 + 505.1588@2.7371914 2.7371914 (506.1662, 5994.4756) 5 505.1588 505.1588@2.7371914 + 596.1551@2.7361495 2.7361495 (597.1632, 1635.85)(579.1516, 11395.21) 1 596.1551 596.1551@2.7361495 + 260.0038@2.7453864 2.7453864 (261.0108, 1809.2466) 3 260.0038 260.0038@2.7453864 + 241.0973@2.7371473 2.7371473 (242.1046, 32251.53)(243.1082, 2492.0)(244.1099, 941.42) 1 241.0973 241.0973@2.7371473 + 584.3783@2.7369046 2.7369046 (585.3872, 1773.46)(586.39246, 924.27997)(587.3683, 801.0) 2 584.3783 584.3783@2.7369046 + 758.2086@2.7394009 2.7394009 (759.2157, 20749.8)(760.2195, 6518.035) 2 758.2086 758.2086@2.7394009 + 92.0375@2.744725 2.744725 (93.0449, 1491.2067) 3 92.0375 92.0375@2.744725 + 409.0434@2.7451303 2.7451303 (410.0506, 12215.62)(432.033, 3172.11) 1 409.0434 409.0434@2.7451303 + 274.986@2.7511177 2.7511177 (275.9933, 9257.76)(276.9946, 1927.24) 1 274.986 274.986@2.7511177 + 188.0495@2.7881415 2.7881415 (189.05779, 3130.4)(190.05962, 737.28204)(171.04578, 3680.14)(172.0525, 719.25)(206.08406, 2174.7268) 8 188.0495 188.0495@2.7881415 + 417.031@2.7710755 2.7710755 (418.0383, 1339.2) 1 417.031 417.031@2.7710755 + 409.109@2.7710755 2.7710755 (410.1162, 1781.61) 1 409.109 409.109@2.7710755 + 758.2084@2.7780604 2.7780604 (759.2156, 22413.7)(760.2191, 6226.44)(761.2205, 2560.37) 1 758.2084 758.2084@2.7780604 + 619.0751@2.866801 2.866801 (620.0831, 1349.0375) 4 619.0751 619.0751@2.866801 + 228.9802@2.7842526 2.7842526 (229.98764, 4481.115)(230.98975, 780.865) 2 228.9802 228.9802@2.7842526 + 289.0012@2.7774982 2.7774982 (290.00815, 4701.3867)(291.0106, 1138.8601) 3 289.0012 289.0012@2.7774982 + 320.9915@2.7928805 2.7928805 (321.99854, 4388.615)(323.0, 1187.15)(343.9798, 971.68) 2 320.9915 320.9915@2.7928805 + 284.1726@2.802009 2.802009 (285.1799, 9177.08)(286.1817, 1216.57) 1 284.1726 284.1726@2.802009 + 646.5507@2.803007 2.803007 (647.558, 2466.14)(648.5603, 1282.23) 1 646.5507 646.5507@2.803007 + 274.9861@2.8069983 2.8069983 (275.9933, 10955.08)(276.9944, 1980.01)(277.9948, 837.8) 1 274.9861 274.9861@2.8069983 + 506.1521@2.8069983 2.8069983 (507.1593, 1030.67) 1 506.1521 506.1521@2.8069983 + 358.3084@2.7740245 2.7740245 (359.31552, 1723.67)(360.31735, 713.385)(341.3032, 762.44)(376.34204, 1692.2)(381.2962, 883.33) 4 358.3084 358.3084@2.7740245 + 946.259@2.8515453 2.8515453 (947.2652, 1848.48)(948.2694, 861.71) 3 946.259 946.259@2.8515453 + 350.1022@2.8220527 2.8220527 (351.11084, 1172.4525)(333.099, 1703.1)(368.13654, 1638.57)(369.1269, 280.58) 4 350.1022 350.1022@2.8220527 + 320.9913@2.8999348 2.8999348 (321.99866, 4912.44)(323.00012, 1146.1323)(343.9807, 911.825) 9 320.9913 320.9913@2.8999348 + 241.0974@2.8239613 2.8239613 (242.1047, 30366.61)(243.1087, 2632.5) 1 241.0974 241.0974@2.8239613 + 228.9805@2.8415222 2.8415222 (229.98775, 4757.104)(230.98886, 1060.32) 5 228.9805 228.9805@2.8415222 + 417.0296@2.851236 2.851236 (418.037, 1507.765)(419.0386, 801.52) 4 417.0296 417.0296@2.851236 + 158.0201@2.8539972 2.8539972 (159.02736, 8635.126)(160.0322, 915.98) 3 158.0201 158.0201@2.8539972 + 228.9804@2.9011424 2.9011424 (229.98756, 4378.7104)(230.98947, 1051.438) 11 228.9804 228.9804@2.9011424 + 405.0709@2.8798382 2.8798382 (406.0782, 1395.4) 1 405.0709 405.0709@2.8798382 + 585.5303@2.8888183 2.8888183 (586.5375, 929.08) 1 585.5303 585.5303@2.8888183 + 765.1978@2.8967063 2.8967063 (766.2044, 1074.9467)(767.2034, 921.09) 3 765.1978 765.1978@2.8967063 + 260.0873@2.872228 2.872228 (261.09473, 5616.0) 2 260.0873 260.0873@2.872228 + 595.9764@2.8843899 2.8843899 (596.98474, 1241.11)(597.9844, 691.23) 2 595.9764 595.9764@2.8843899 + 564.2091@2.901509 2.901509 (565.2152, 1055.91) 2 564.2091 564.2091@2.901509 + 569.1617@2.9188807 2.9188807 (570.1688, 1544.472) 5 569.1617 569.1617@2.9188807 + 410.0455@2.9132323 2.9132323 (411.05273, 4973.0625)(412.0526, 1787.63) 4 410.0455 410.0455@2.9132323 + 332.0915@2.9172316 2.9172316 (333.0995, 2208.32)(334.1045, 700.48) 2 332.0915 332.0915@2.9172316 + 619.5226@2.9786139 2.9786139 (620.5298, 2384.24) 1 619.5226 619.5226@2.9786139 + 646.5501@2.9786139 2.9786139 (647.5574, 3810.43)(648.5617, 2352.89) 1 646.5501 646.5501@2.9786139 + 426.1162@2.9985673 2.9985673 (427.1235, 1594.64) 1 426.1162 426.1162@2.9985673 + 495.071@3.0215135 3.0215135 (496.0783, 2837.17) 1 495.071 495.071@3.0215135 + 335.0071@3.025504 3.025504 (336.0144, 1196.67) 1 335.0071 335.0071@3.025504 + 488.1169@3.121805 3.121805 (489.12283, 2241.8533) 3 488.1169 488.1169@3.121805 + 243.1974@3.0730052 3.0730052 (244.20505, 7283.107)(245.20793, 1479.2222)(246.2121, 572.82) 9 243.1974 243.1974@3.0730052 + 268.0979@3.2050655 3.2050655 (269.1052, 3936.43) 1 268.0979 268.0979@3.2050655 + 267.0974@3.269163 3.269163 (268.1046, 2997.385)(269.0965, 1132.39) 2 267.0974 267.0974@3.269163 + 267.0989@3.305806 3.305806 (268.1062, 1698.78) 1 267.0989 267.0989@3.305806 + 149.1201@3.3878713 3.3878713 (150.12737, 10155.448)(151.13034, 1679.9451) 10 149.1201 149.1201@3.3878713 + 819.5909@3.4166713 3.4166713 (820.59863, 1348.915)(821.59955, 656.565) 4 819.5909 819.5909@3.4166713 + 553.5426@3.5172307 3.5172307 (554.5499, 1730.03)(555.5533, 815.4) 1 553.5426 553.5426@3.5172307 + 596.593@3.5461488 3.5461488 (597.6003, 1943.31) 1 596.593 596.593@3.5461488 + 595.5895@3.5571175 3.5571175 (596.5968, 4134.39) 1 595.5895 595.5895@3.5571175 + 623.6218@3.5581145 3.5581145 (624.6291, 4418.33)(625.6317, 2090.27) 1 623.6218 623.6218@3.5581145 + 114.0428@3.5751107 3.5751107 (115.050064, 86492.52)(116.05326, 5383.056)(117.06065, 1075.285) 5 114.0428 114.0428@3.5751107 + 553.5429@3.5660918 3.5660918 (554.5502, 1505.33) 1 553.5429 553.5429@3.5660918 + 440.8265@3.7565277 3.7565277 (441.8338, 1397.71) 1 440.8265 440.8265@3.7565277 + 435.2746@3.7823985 3.7823985 (436.2833, 3034.6428)(437.28638, 1133.182) 7 435.2746 435.2746@3.7823985 + 1040.6257@3.8023865 3.8023865 (1041.633, 1069.41) 1 1040.6257 1040.6257@3.8023865 + 859.6589@3.8881168 3.8881168 (860.6662, 1903.5)(861.6685, 1074.55)(862.6672, 506.08) 1 859.6589 859.6589@3.8881168 + 367.2812@3.9040658 3.9040658 (368.2884, 3097.62)(369.2929, 617.63)(370.2946, 261.06) 1 367.2812 367.2812@3.9040658 + 860.6626@3.940947 3.940947 (861.6699, 1334.82)(862.6696, 790.12) 1 860.6626 860.6626@3.940947 + 347.2504@3.9440787 3.9440787 (348.2588, 1030.185) 2 347.2504 347.2504@3.9440787 + 353.2665@3.9549017 3.9549017 (354.2737, 8570.85)(355.2777, 1432.03) 1 353.2665 353.2665@3.9549017 + 477.3139@4.0697627 4.0697627 (478.3212, 22627.65)(479.32608, 8395.448)(480.33237, 3703.1177)(481.33417, 1080.005) 6 477.3139 477.3139@4.0697627 + 679.4175@4.095434 4.095434 (680.4248, 3541.97)(681.4271, 1512.65) 1 679.4175 679.4175@4.095434 + 565.8501@4.1223426 4.1223426 (566.8574, 1357.0) 1 565.8501 565.8501@4.1223426 + 531.4485@4.1755643 4.1755643 (532.45685, 931.04004)(533.459, 658.77) 3 531.4485 531.4485@4.1755643 + 520.8219@4.1816463 4.1816463 (521.829, 4897.6797)(522.8324, 1327.4) 2 520.8219 520.8219@4.1816463 + 508.3472@4.2100377 4.2100377 (509.3545, 1056.69)(510.3736, 531.86) 1 508.3472 508.3472@4.2100377 + 285.266@4.2038713 4.2038713 (286.27316, 1742.765)(287.27383, 708.16)(288.2774, 842.34) 4 285.266 285.266@4.2038713 + 542.835@4.240929 4.240929 (543.8423, 5449.28)(544.8468, 1056.16) 1 542.835 542.835@4.240929 + 394.2904@4.250893 4.250893 (395.2977, 4186.0) 1 394.2904 394.2904@4.250893 + 286.3063@4.2907505 4.2907505 (287.3135, 1495.4) 1 286.3063 286.3063@4.2907505 + 203.1879@4.2989497 4.2989497 (204.19534, 1454.765) 2 203.1879 203.1879@4.2989497 + 557.9093@4.2947364 4.2947364 (558.9165, 1322.55) 1 557.9093 557.9093@4.2947364 + 365.2558@4.339574 4.339574 (366.2631, 17404.35)(367.2672, 4653.66)(368.2707, 1221.51) 1 365.2558 365.2558@4.339574 + 389.3144@4.3525343 4.3525343 (390.32144, 1511.8561)(391.32465, 1008.74) 5 389.3144 389.3144@4.3525343 + 523.3837@4.3530707 4.3530707 (524.3908, 3580.802)(525.3954, 1206.689)(526.3971, 821.56) 10 523.3837 523.3837@4.3530707 + 1035.7648@4.3774347 4.3774347 (1036.7721, 987.44) 1 1035.7648 1035.7648@4.3774347 + 290.0368@4.384409 4.384409 (291.0441, 3117.21) 1 290.0368 290.0368@4.384409 + 311.2097@4.491975 4.491975 (312.21698, 2549.865)(313.21912, 776.645)(314.2064, 754.44) 4 311.2097 311.2097@4.491975 + 557.9098@4.567713 4.567713 (558.9171, 1202.3) 1 557.9098 557.9098@4.567713 + 940.5286@4.598671 4.598671 (941.5355, 1464.2073)(942.5386, 1008.3841)(963.5183, 1017.835) 7 940.5286 940.5286@4.598671 + 901.5643@4.628886 4.628886 (902.5705, 2312.14)(903.5735, 1385.035)(904.5907, 26445.81) 4 901.5643 901.5643@4.628886 + 944.6087@4.634346 4.634346 (945.6151, 1633.2649)(946.61523, 1046.4623)(967.59595, 740.62) 10 944.6087 944.6087@4.634346 + 245.1984@4.627456 4.627456 (246.20604, 2564.621)(247.21182, 912.866)(228.1951, 910.43) 12 245.1984 245.1984@4.627456 + 998.5076@4.638434 4.638434 (999.5149, 982.24) 1 998.5076 998.5076@4.638434 + 297.1587@4.63943 4.63943 (298.166, 12759.34)(299.1686, 2224.81) 1 297.1587 297.1587@4.63943 + 456.3112@4.6400123 4.6400123 (457.3183, 2616.112)(458.3188, 1026.5701)(459.3247, 855.24) 5 456.3112 456.3112@4.6400123 + 627.636@4.6444106 4.6444106 (628.6433, 1035.31) 1 627.636 627.636@4.6444106 + 834.4482@4.6653266 4.6653266 (835.4555, 856.75) 1 834.4482 834.4482@4.6653266 + 932.5354@4.62643 4.62643 (933.5413, 2978.9033)(934.54767, 1406.7579)(935.55524, 857.87665)(955.5273, 765.31) 6 932.5354 932.5354@4.62643 + 438.3191@4.682259 4.682259 (439.3264, 2466.51)(440.3337, 971.02) 1 438.3191 438.3191@4.682259 + 879.5825@4.723425 4.723425 (880.58984, 4031.79)(881.5928, 1977.2151)(882.59845, 741.52) 2 879.5825 879.5825@4.723425 + 603.5304@4.7310615 4.7310615 (604.5376, 6038.17)(605.5449, 2282.33) 1 603.5304 603.5304@4.7310615 + 356.3026@4.760991 4.760991 (357.31033, 1721.3474)(358.3056, 987.99) 4 356.3026 356.3026@4.760991 + 769.5543@4.833626 4.833626 (770.56445, 1791.7666)(771.5664, 827.04004)(792.5442, 680.27) 3 769.5543 769.5543@4.833626 + 738.4986@4.891394 4.891394 (739.5059, 1014.15)(740.5214, 765.0) 1 738.4986 738.4986@4.891394 + 696.9272@4.8933854 4.8933854 (697.9344, 2015.7)(698.9314, 618.61) 1 696.9272 696.9272@4.8933854 + 674.9137@4.924151 4.924151 (675.9206, 5167.9297)(676.9235, 1026.768) 5 674.9137 674.9137@4.924151 + 638.4667@4.9137278 4.9137278 (639.47437, 1619.79) 2 638.4667 638.4667@4.9137278 + 644.9603@4.948151 4.948151 (645.9675, 13225.67)(646.9702, 1341.82) 1 644.9603 644.9603@4.948151 + 696.4762@4.9541254 4.9541254 (697.4835, 927.17) 1 696.4762 696.4762@4.9541254 + 666.472@4.9670696 4.9670696 (667.4793, 6470.87)(668.481, 1944.17) 1 666.472 666.472@4.9670696 + 374.2566@4.99012 4.99012 (375.26364, 1443.7051) 2 374.2566 374.2566@4.99012 + 611.4056@4.9899697 4.9899697 (612.4129, 2068.98) 1 611.4056 611.4056@4.9899697 + 601.4282@4.9675713 4.9675713 (602.4353, 1493.9)(603.4345, 693.44) 2 601.4282 601.4282@4.9675713 + 622.8813@4.990965 4.990965 (623.8885, 2417.47) 1 622.8813 622.8813@4.990965 + 660.4799@4.997711 4.997711 (661.4872, 2163.7852) 2 660.4799 660.4799@4.997711 + 646.4683@4.994948 4.994948 (647.4755, 1522.58) 1 646.4683 646.4683@4.994948 + 244.0671@5.0019174 5.0019174 (245.0744, 7317.47) 1 244.0671 244.0671@5.0019174 + 633.4312@5.010878 5.010878 (634.4384, 2314.54)(635.4423, 917.98) 1 633.4312 633.4312@5.010878 + 681.4909@5.0178475 5.0178475 (682.4981, 12886.43)(683.5006, 1569.84) 1 681.4909 681.4909@5.0178475 + 374.2553@5.0208344 5.0208344 (375.2626, 1031.02) 1 374.2553 374.2553@5.0208344 + 504.31@5.0132856 5.0132856 (505.31723, 1606.1901)(506.32104, 779.94) 5 504.31 504.31@5.0132856 + 718.9382@5.038872 5.038872 (719.9459, 2199.1401)(720.9497, 891.4) 2 718.9382 718.9382@5.038872 + 666.974@5.025812 5.025812 (667.9813, 12364.85)(668.9855, 1676.14) 1 666.974 666.974@5.025812 + 149.0971@5.104244 5.104244 (150.10432, 19566.623)(151.11113, 2289.7651)(152.10208, 7526.537) 6 149.0971 149.0971@5.104244 + 442.4133@5.1069384 5.1069384 (443.41995, 2917.345)(444.423, 1673.81) 2 442.4133 442.4133@5.1069384 + 688.4845@5.115413 5.115413 (689.4918, 13126.69)(690.4955, 4342.39) 1 688.4845 688.4845@5.115413 + 644.3941@5.1373143 5.1373143 (645.4014, 3846.08)(646.4053, 1402.21) 1 644.3941 644.3941@5.1373143 + 704.0047@5.143287 5.143287 (705.012, 7700.22)(706.0028, 862.72) 1 704.0047 704.0047@5.143287 + 681.9934@5.165188 5.165188 (683.0007, 1669.84) 1 681.9934 681.9934@5.165188 + 704.005@5.226776 5.226776 (705.0126, 5102.0)(706.0039, 1047.89) 2 704.005 704.005@5.226776 + 711.0@5.1860924 5.1860924 (712.0073, 4530.82) 1 711 711.0@5.1860924 + 233.1615@5.2418346 5.2418346 (234.1688, 1012.17) 1 233.1615 233.1615@5.2418346 + 548.3365@5.270349 5.270349 (549.344, 1586.83)(550.345, 748.87) 3 548.3365 548.3365@5.270349 + 724.3789@5.254523 5.254523 (725.3875, 1581.5367)(726.38776, 1102.8999) 3 724.3789 724.3789@5.254523 + 831.5603@5.2627373 5.2627373 (832.5676, 1043.28) 1 831.5603 831.5603@5.2627373 + 748.0314@5.2836394 5.2836394 (749.0386, 3428.17) 1 748.0314 748.0314@5.2836394 + 866.5854@5.3423615 5.3423615 (867.5927, 3760.84)(868.5985, 1318.68) 1 866.5854 866.5854@5.3423615 + 698.3636@5.3513184 5.3513184 (699.3708, 5354.83) 1 698.3636 698.3636@5.3513184 + 813.5522@5.3611317 5.3611317 (814.5592, 82132.805)(815.56226, 41807.11)(796.5484, 6849.6553)(797.5523, 4073.3699)(836.5415, 11204.49)(837.54614, 6130.375) 4 813.5522 813.5522@5.3611317 + 570.3514@5.3635745 5.3635745 (571.3566, 1259.5166) 3 570.3514 570.3514@5.3635745 + 272.2094@5.3622665 5.3622665 (273.2167, 1455.26) 1 272.2094 272.2094@5.3622665 + 819.5219@5.374205 5.374205 (820.54443, 9574.764)(821.5494, 4729.945)(822.5582, 1008.7) 6 819.5219 819.5219@5.374205 + 836.5388@5.3895254 5.3895254 (837.5458, 16857.65) 2 836.5388 836.5388@5.3895254 + 736.3799@5.3742094 5.3742094 (737.3871, 1289.95)(738.3915, 613.29) 1 736.3799 736.3799@5.3742094 + 518.7043@5.3742094 5.3742094 (519.7116, 3487.6) 1 518.7043 518.7043@5.3742094 + 755.5283@5.385156 5.385156 (756.5356, 2653.11) 1 755.5283 755.5283@5.385156 + 882.5629@5.4280396 5.4280396 (883.57434, 2048.46)(884.5852, 1239.37)(885.5881, 377.23) 2 882.5629 882.5629@5.4280396 + 878.5358@5.404065 5.404065 (879.5431, 11339.06)(880.5533, 8464.12)(881.5577, 3267.4) 1 878.5358 878.5358@5.404065 + 793.5728@5.410036 5.410036 (794.5801, 3654.82)(795.5887, 1740.06) 1 793.5728 793.5728@5.410036 + 699.3678@5.419988 5.419988 (700.3751, 1546.09)(701.377, 624.29) 1 699.3678 699.3678@5.419988 + 850.5767@5.42995 5.42995 (851.59125, 24538.922)(852.5959, 9764.9375)(853.59717, 3383.5344)(873.5672, 15923.17) 9 850.5767 850.5767@5.42995 + 399.7866@5.422973 5.422973 (400.7939, 2598.52) 1 399.7866 399.7866@5.422973 + 911.5416@5.428207 5.428207 (912.5504, 2768.06)(913.5403, 2613.82)(914.5511, 2252.47)(934.53, 4564.59) 2 911.5416 911.5416@5.428207 + 707.4842@5.409612 5.409612 (708.4913, 2204.4897)(709.49615, 1213.9933) 4 707.4842 707.4842@5.409612 + 882.5792@5.4364614 5.4364614 (883.58655, 2695.3052)(884.5934, 2330.87) 2 882.5792 882.5792@5.4364614 + 917.6595@5.418261 5.418261 (918.6645, 1451.5167)(919.6675, 918.125)(920.6793, 916.39746) 6 917.6595 917.6595@5.418261 + 865.6285@5.4451456 5.4451456 (866.632, 49191.09)(867.63916, 21011.93)(868.6534, 77355.41)(869.6568, 39507.19)(870.6631, 14562.79)(888.6006, 2897.86)(889.6095, 1572.62)(890.6168, 3170.97) 7 865.6285 865.6285@5.4451456 + 878.5362@5.506456 5.506456 (879.547, 6480.234)(880.5563, 5966.168)(881.56055, 777.86) 5 878.5362 878.5362@5.506456 + 820.0424@5.440834 5.440834 (1658.1226, 661.0)(821.0503, 2509.225)(822.0555, 1734.7324)(823.0641, 2517.965)(824.0644, 1109.0433)(825.0524, 1325.2933) 8 820.0424 820.0424@5.440834 + 835.5994@5.4448667 5.4448667 (836.6067, 35082.01)(837.6088, 10054.87)(838.6035, 12285.12) 1 835.5994 835.5994@5.4448667 + 799.5723@5.4437895 5.4437895 (1622.1294, 2712.815)(1623.1318, 2212.04)(1624.1414, 2774.6748)(1625.1473, 2251.72)(1626.1387, 1890.4099)(1627.1385, 1585.66)(1628.1202, 1548.83)(800.57947, 101574.766)(801.5831, 47454.074) 2 799.5723 799.5723@5.4437895 + 1610.1062@5.4353275 5.4353275 (1611.1134, 4217.566)(1612.1237, 6836.204)(1613.126, 3977.7627)(1614.1263, 282.64) 5 1610.1062 1610.1062@5.4353275 + 828.5432@5.447852 5.447852 (829.5505, 52665.17)(830.5604, 35701.49)(831.5648, 15676.67) 1 828.5432 828.5432@5.447852 + 1616.1538@5.4566936 5.4566936 (1617.152, 4318.438)(1618.1437, 4015.8022)(1619.1384, 2930.2524)(1620.1436, 980.635)(1621.1183, 1382.8) 5 1616.1538 1616.1538@5.4566936 + 1626.1375@5.446314 5.446314 (1627.1334, 1565.6089)(1628.1279, 1554.15)(1629.1261, 1287.2714)(1649.1304, 1073.51)(1650.1328, 1240.86)(1651.1266, 1020.58)(1652.1241, 1179.0)(1653.1191, 1187.36) 9 1626.1375 1626.1375@5.446314 + 1248.8264@5.449939 5.449939 (1249.8313, 1322.5024)(1250.8323, 1189.64)(1251.8342, 1321.0326)(1252.8201, 650.35)(1253.8293, 668.57) 4 1248.8264 1248.8264@5.449939 + 399.7865@5.455813 5.455813 (400.7938, 3615.09) 1 399.7865 399.7865@5.455813 + 1596.1119@5.455246 5.455246 (1597.1196, 3145.075)(1598.1265, 2860.775)(1599.1295, 1971.3301) 2 1596.1119 1596.1119@5.455246 + 842.0554@5.4587984 5.4587984 (843.0627, 996.15) 1 842.0554 842.0554@5.4587984 + 703.4434@5.4845977 5.4845977 (704.4516, 3060.2268)(705.46063, 868.9443)(706.46985, 608.485)(726.4355, 805.08) 7 703.4434 703.4434@5.4845977 + 917.642@5.4586134 5.4586134 (918.6501, 996.33997)(919.6419, 782.08)(920.6614, 724.23) 2 917.642 917.642@5.4586134 + 975.536@5.4787006 5.4787006 (976.5433, 1052.04)(977.5394, 1027.95) 1 975.536 975.536@5.4787006 + 707.4834@5.4649496 5.4649496 (708.49084, 2551.835)(709.49445, 1112.635) 2 707.4834 707.4834@5.4649496 + 378.7759@5.479696 5.479696 (379.7831, 1824.11) 1 378.7759 378.7759@5.479696 + 923.5231@5.453108 5.453108 (924.55255, 3262.7222)(925.5558, 1753.7559)(926.54474, 2036.904)(927.5417, 747.76)(928.5495, 1780.12)(946.5415, 1422.95)(947.5431, 755.2)(948.5203, 1836.05)(949.5312, 944.49)(950.5397, 1238.52) 5 923.5231 923.5231@5.453108 + 1233.3428@5.465537 5.465537 (1234.3468, 4291.541)(1235.3558, 3071.1465)(1236.3612, 2252.077)(1237.3467, 1085.405) 9 1233.3428 1233.3428@5.465537 + 798.5607@5.4753613 5.4753613 (1598.1276, 1079.22)(799.5693, 19272.25) 3 798.5607 798.5607@5.4753613 + 764.5392@5.48748 5.48748 (765.5462, 1858.8099) 3 764.5392 764.5392@5.48748 + 835.6035@5.4806156 5.4806156 (836.60913, 83911.15)(837.61395, 24269.088)(838.61914, 15361.619)(839.6285, 2833.65)(858.59283, 14920.119)(859.5961, 10658.21) 12 835.6035 835.6035@5.4806156 + 982.514@5.4876566 5.4876566 (983.5213, 822.62)(984.5313, 502.46)(985.5361, 943.12) 1 982.514 982.514@5.4876566 + 838.5462@5.398866 5.398866 (839.5615, 20196.615)(840.57184, 15754.135)(841.5763, 8673.28)(856.5778, 28736.96)(857.5812, 14709.29)(858.5859, 12308.36) 3 838.5462 838.5462@5.398866 + 892.648@5.4906416 5.4906416 (893.6553, 10987.84)(894.6625, 5368.41)(895.6668, 1459.95) 1 892.648 892.648@5.4906416 + 332.21@5.4731216 5.4731216 (333.21725, 2014.96)(334.2218, 910.3667) 3 332.21 332.21@5.4731216 + 508.6911@5.5015874 5.5015874 (509.6983, 893.27) 1 508.6911 508.6911@5.5015874 + 547.7213@5.512533 5.512533 (548.7286, 1867.94) 1 547.7213 547.7213@5.512533 + 873.5703@5.5767555 5.5767555 (874.56885, 6131.18)(875.5707, 3158.5151)(876.5687, 7644.17) 2 873.5703 873.5703@5.5767555 + 1203.8434@5.4992733 5.4992733 (1204.8375, 1410.27)(1205.8359, 1588.4401)(1206.8375, 1521.17)(1226.8365, 944.43)(1227.836, 1188.34)(1228.8477, 949.47) 4 1203.8434 1203.8434@5.4992733 + 385.771@5.5174723 5.5174723 (794.53143, 89685.67)(795.53467, 43472.297)(796.5429, 76724.84)(797.5469, 33561.67)(386.77792, 10412.399)(387.78156, 1698.3263) 8 385.771 385.771@5.5174723 + 1204.3275@5.5158563 5.5158563 (1205.3363, 1379.3134)(1206.337, 1681.56)(1207.3398, 1525.7399)(1208.341, 657.31) 3 1204.3275 1204.3275@5.5158563 + 1210.8542@5.504743 5.504743 (1211.8566, 3547.2432)(1212.8568, 2486.9167)(1213.8496, 907.76) 3 1210.8542 1210.8542@5.504743 + 835.605@5.5081077 5.5081077 (836.61127, 89577.445)(837.6163, 33074.484)(838.6197, 6211.57)(839.6299, 1201.17) 3 835.605 835.605@5.5081077 + 862.6269@5.530444 5.530444 (863.6341, 2163.72) 1 862.6269 862.6269@5.530444 + 1179.3271@5.525688 5.525688 (1180.336, 2191.2678)(1181.3401, 2111.4487)(1182.3395, 1495.91) 9 1179.3271 1179.3271@5.525688 + 809.5937@5.5324345 5.5324345 (810.6006, 304718.12)(811.6037, 154969.83)(812.6091, 54979.85)(832.5873, 39147.05)(833.5906, 18177.7) 1 809.5937 809.5937@5.5324345 + 1165.8192@5.537376 5.537376 (1166.8328, 1647.9609)(1167.8292, 1935.0243)(1168.8324, 1143.6133) 10 1165.8192 1165.8192@5.537376 + 788.0435@5.5550327 5.5550327 (789.0498, 2563.93)(790.0535, 979.1167) 6 788.0435 788.0435@5.5550327 + 1262.3221@5.456644 5.456644 (1263.3308, 1074.2675)(1264.3319, 951.73334)(1265.3304, 1246.325)(1245.3344, 768.0)(1246.3392, 950.35) 4 1262.3221 1262.3221@5.456644 + 538.0415@5.5413895 5.5413895 (539.0488, 1411.35) 1 538.0415 538.0415@5.5413895 + 859.6398@5.545606 5.545606 (860.6431, 6235.0127)(861.6481, 3077.1257)(862.6382, 2473.1401)(842.6367, 38905.25)(843.6406, 19356.56) 7 859.6398 859.6398@5.545606 + 1294.3293@5.5645437 5.5645437 (1295.3381, 1365.0701)(1296.3406, 1634.45)(1297.3467, 1028.995) 2 1294.3293 1294.3293@5.5645437 + 916.0523@5.5634446 5.5634446 (917.0583, 1708.4501)(918.06177, 818.9533)(919.0716, 1130.38) 3 916.0523 916.0523@5.5634446 + 1051.5541@5.554588 5.554588 (1052.5612, 2303.0366)(1053.5656, 1664.7968)(1054.5774, 1143.475)(1074.544, 1853.395)(1075.5452, 1499.44)(1076.5544, 1018.63) 3 1051.5541 1051.5541@5.554588 + 400.3405@5.57124 5.57124 (401.3477, 5102.57)(402.3525, 1438.68) 1 400.3405 400.3405@5.57124 + 1054.577@5.5796084 5.5796084 (1055.5834, 1265.5233)(1056.5927, 1194.7167)(1057.594, 880.66) 3 1054.577 1054.577@5.5796084 + 838.0153@5.57124 5.57124 (839.0226, 1263.69) 1 838.0153 838.0153@5.57124 + 385.7709@5.57124 5.57124 (386.7782, 1329.9) 1 385.7709 385.7709@5.57124 + 1176.5674@5.5825915 5.5825915 (1177.5764, 1021.97003)(1178.579, 906.845)(1179.5859, 830.5267)(1199.5636, 798.57) 4 1176.5674 1176.5674@5.5825915 + 1103.5746@5.588046 5.588046 (1104.5814, 854.35)(1105.5879, 767.87) 2 1103.5746 1103.5746@5.588046 + 871.6671@5.574526 5.574526 (872.67456, 1985.26)(873.6701, 974.94) 2 871.6671 871.6671@5.574526 + 857.6255@5.581189 5.581189 (858.6328, 2874.71)(859.6296, 1585.24) 1 857.6255 857.6255@5.581189 + 1295.8383@5.5891495 5.5891495 (1296.8456, 822.5) 1 1295.8383 1295.8383@5.5891495 + 272.0105@5.590144 5.590144 (273.0179, 1317.44)(294.9996, 1668.14) 1 272.0105 272.0105@5.590144 + 1150.335@5.596512 5.596512 (1151.3433, 1374.32)(1152.3491, 1744.655)(1153.3513, 943.725) 2 1150.335 1150.335@5.596512 + 1150.8374@5.5944715 5.5944715 (1151.8463, 1522.5516)(1152.8506, 1318.7716)(1153.8536, 1176.685) 6 1150.8374 1150.8374@5.5944715 + 916.0517@5.5919538 5.5919538 (917.0589, 1552.9915)(918.0622, 1211.0281)(934.0928, 765.4) 7 916.0517 916.0517@5.5919538 + 1165.3529@5.604739 5.604739 (1166.3625, 1782.4099)(1167.3567, 1451.316)(1168.3478, 1419.0) 5 1165.3529 1165.3529@5.604739 + 1238.3274@5.541153 5.541153 (1239.3475, 1414.445)(1240.3477, 1321.95) 2 1238.3274 1238.3274@5.541153 + 1232.3285@5.6050057 5.6050057 (1233.3318, 1852.0437)(1234.3381, 1949.3701)(1235.3457, 1251.1943)(1250.3672, 772.7)(1251.364, 792.77) 8 1232.3285 1232.3285@5.6050057 + 940.5625@5.5766873 5.5766873 (941.5669, 1457.9299)(942.569, 1259.61) 2 940.5625 940.5625@5.5766873 + 914.5639@5.581921 5.581921 (915.5766, 1682.5967)(916.5806, 1564.47) 3 914.5639 914.5639@5.581921 + 893.5466@5.6100435 5.6100435 (894.5538, 1945.25)(895.5592, 584.42)(896.5573, 598.88) 1 893.5466 893.5466@5.6100435 + 717.5613@5.597969 5.597969 (718.5702, 2055.3)(719.5709, 996.94) 2 717.5613 717.5613@5.597969 + 809.5928@5.6120334 5.6120334 (810.6, 141850.31)(832.5825, 16639.9)(833.5857, 8200.21) 1 809.5928 809.5928@5.6120334 + 368.1963@5.60621 5.60621 (369.2025, 1496.2151) 2 368.1963 368.1963@5.60621 + 891.6556@5.584252 5.584252 (892.6589, 3244.1033)(893.6651, 1564.5366)(894.66907, 1196.22) 3 891.6556 891.6556@5.584252 + 857.6599@5.645072 5.645072 (858.66644, 1240.745)(859.66724, 826.6533) 4 857.6599 857.6599@5.645072 + 802.0584@5.638482 5.638482 (803.0636, 1372.6)(804.0646, 1069.6439)(805.0605, 1163.12) 5 802.0584 802.0584@5.638482 + 837.6225@5.6219826 5.6219826 (838.6298, 3913.72)(839.6343, 1985.86) 1 837.6225 837.6225@5.6219826 + 784.0785@5.6568522 5.6568522 (785.0863, 2824.72)(786.0924, 944.62) 2 784.0785 784.0785@5.6568522 + 890.6704@5.6052914 5.6052914 (891.67676, 1928.19)(892.6668, 1103.8049)(893.6854, 868.695)(873.6686, 610.17) 4 890.6704 890.6704@5.6052914 + 679.4065@5.660244 5.660244 (680.41504, 2517.1348)(681.41724, 1198.2351)(682.4225, 974.015)(702.4021, 735.09) 4 679.4065 679.4065@5.660244 + 997.5174@5.6707325 5.6707325 (998.5247, 745.12)(999.5242, 631.18) 1 997.5174 997.5174@5.6707325 + 755.0187@5.6776967 5.6776967 (756.026, 865.2)(757.0143, 533.34) 1 755.0187 755.0187@5.6776967 + 326.2564@5.6836658 5.6836658 (327.2637, 1596.08) 1 326.2564 326.2564@5.6836658 + 769.5935@5.7015734 5.7015734 (770.6008, 2270.57)(771.5948, 1364.75) 1 769.5935 769.5935@5.7015734 + 747.4683@5.705745 5.705745 (748.4759, 4283.1064)(749.479, 2566.6174)(770.457, 1300.75)(771.4523, 972.33)(772.4742, 5614.1) 8 747.4683 747.4683@5.705745 + 759.5777@5.714506 5.714506 (760.585, 679228.44)(761.5887, 353819.34)(762.5913, 79463.45)(763.5942, 15378.55)(764.5973, 973.02)(765.598, 215.56) 1 759.5777 759.5777@5.714506 + 736.4702@5.7204747 5.7204747 (737.4775, 837.1) 1 736.4702 736.4702@5.7204747 + 821.0656@5.734402 5.734402 (822.0729, 3280.77)(823.0817, 656.07) 1 821.0656 821.0656@5.734402 + 665.4273@5.7459 5.7459 (666.4336, 1780.37)(667.4356, 686.54) 2 665.4273 665.4273@5.7459 + 869.659@5.74236 5.74236 (870.6662, 871.19) 1 869.659 869.659@5.74236 + 985.5224@5.743355 5.743355 (986.5297, 1332.07)(987.5419, 950.69) 1 985.5224 985.5224@5.743355 + 939.5628@5.7443495 5.7443495 (940.5701, 1181.0)(941.5718, 513.49)(942.5537, 651.65) 1 939.5628 939.5628@5.7443495 + 763.5885@5.715933 5.715933 (764.5962, 2748.1768)(765.5951, 750.36) 3 763.5885 763.5885@5.715933 + 845.6538@5.749324 5.749324 (846.6611, 2877.96)(847.6676, 1338.46) 1 845.6538 845.6538@5.749324 + 857.507@5.751313 5.751313 (858.5142, 1020.08)(859.5138, 665.32) 1 857.507 857.507@5.751313 + 745.4531@5.7611456 5.7611456 (746.4672, 2730.565)(747.47144, 1222.1975)(748.4673, 869.94) 4 745.4531 745.4531@5.7611456 + 302.1338@5.756287 5.756287 (303.1411, 1316.93) 1 302.1338 302.1338@5.756287 + 476.3514@5.7751875 5.7751875 (477.3587, 3630.13)(478.3614, 1423.24) 1 476.3514 476.3514@5.7751875 + 717.4217@5.7856197 5.7856197 (718.4307, 1851.4166)(719.4366, 818.74335)(720.4436, 1241.03) 3 717.4217 717.4217@5.7856197 + 677.3934@5.787881 5.787881 (678.4046, 1786.88)(679.41205, 852.88) 2 677.3934 677.3934@5.787881 + 851.5849@5.7973733 5.7973733 (852.58813, 8761.105)(853.59314, 4492.4727) 4 851.5849 851.5849@5.7973733 + 414.7784@5.8129873 5.8129873 (415.7856, 3864.79) 1 414.7784 414.7784@5.8129873 + 929.534@5.892254 5.892254 (930.5473, 2108.81)(931.54376, 997.66327)(952.5428, 1443.58)(953.5502, 1297.62) 4 929.534 929.534@5.892254 + 1619.6844@5.8279076 5.8279076 (1620.6917, 976.12) 1 1619.6844 1619.6844@5.8279076 + 735.4461@5.895775 5.895775 (736.45184, 1323.77)(737.4547, 704.22)(758.4368, 2086.47)(759.4414, 1085.65)(760.4343, 2084.25) 2 735.4461 735.4461@5.895775 + 820.5832@5.830529 5.830529 (821.59, 3964.7085) 7 820.5832 820.5832@5.830529 + 797.4126@5.832881 5.832881 (798.4199, 754.05)(799.4347, 595.32)(800.43, 972.92) 1 797.4126 797.4126@5.832881 + 717.4251@5.9014473 5.9014473 (718.4325, 2983.7)(719.4304, 1289.69)(720.423, 1274.14)(740.4118, 1641.57)(741.427, 920.22) 2 717.4251 717.4251@5.9014473 + 1524.7113@5.833504 5.833504 (1525.7194, 1064.01) 3 1524.7113 1524.7113@5.833504 + 1599.7113@5.8487954 5.8487954 (1600.7186, 1040.15) 1 1599.7113 1599.7113@5.8487954 + 1184.7748@5.8377647 5.8377647 (1185.7819, 2138.4666) 3 1184.7748 1184.7748@5.8377647 + 1178.2664@5.854763 5.854763 (1179.2737, 926.14) 1 1178.2664 1178.2664@5.854763 + 707.4395@5.854763 5.854763 (708.4449, 1321.82)(709.4495, 534.63)(710.4393, 535.52)(725.4759, 1129.02) 1 707.4395 707.4395@5.854763 + 178.0279@5.836923 5.836923 (179.03499, 3957.252) 5 178.0279 178.0279@5.836923 + 721.452@5.8672466 5.8672466 (722.45996, 2720.43)(723.463, 1220.63)(724.46375, 1540.3201) 2 721.452 721.452@5.8672466 + 891.5782@5.8435 5.8435 (892.5856, 2162.715)(893.593, 1173.75)(894.5887, 906.2) 2 891.5782 891.5782@5.8435 + 704.4529@5.873999 5.873999 (705.45874, 3584.2148)(706.45764, 1286.245) 2 704.4529 704.4529@5.873999 + 404.161@5.908758 5.908758 (405.1672, 1047.2949) 2 404.161 404.161@5.908758 + 865.4951@5.9100447 5.9100447 (866.517, 5635.5674)(867.5229, 2877.5576)(868.5313, 710.27) 4 865.4951 865.4951@5.9100447 + 851.588@5.8955426 5.8955426 (852.5929, 5457.27)(853.5971, 2870.62)(834.5866, 4042.05)(835.589, 1362.32)(836.5881, 502.32) 1 851.588 851.588@5.8955426 + 741.4187@5.871999 5.871999 (742.41925, 2856.8901)(743.4281, 1436.74) 2 741.4187 741.4187@5.871999 + 889.5625@5.8985267 5.8985267 (890.5698, 1731.93)(891.5772, 963.93) 1 889.5625 889.5625@5.8985267 + 795.5183@5.9292216 5.9292216 (796.52527, 8213.058)(797.5292, 3888.5532)(798.5405, 19401.35)(813.5567, 1232.96)(818.5152, 1355.16)(819.5107, 678.75)(820.5268, 2559.18) 15 795.5183 795.5183@5.9292216 + 704.4519@5.910462 5.910462 (705.4592, 3226.29)(706.452, 1268.51) 1 704.4519 704.4519@5.910462 + 661.7257@5.917321 5.917321 (662.73254, 1988.615) 2 661.7257 661.7257@5.917321 + 745.6861@5.9144206 5.9144206 (746.6934, 1688.7213) 8 745.6861 745.6861@5.9144206 + 257.892@5.9273696 5.9273696 (258.8993, 4143.09) 1 257.892 257.892@5.9273696 + 826.5637@5.9489083 5.9489083 (827.5717, 12956.146)(828.5683, 6136.2603)(829.56494, 2343.8467) 8 826.5637 826.5637@5.9489083 + 817.6285@5.9086957 5.9086957 (818.6351, 3969.0403)(819.63934, 2177.3936)(820.6386, 1010.58) 10 817.6285 817.6285@5.9086957 + 667.4422@5.935744 5.935744 (668.44836, 3381.603)(669.4515, 1244.76)(670.452, 807.5575) 7 667.4422 667.4422@5.935744 + 233.0364@5.955219 5.955219 (234.04335, 1237.1599) 2 233.0364 233.0364@5.955219 + 733.3963@5.957206 5.957206 (734.4036, 2532.58)(735.4105, 1309.37) 1 733.3963 733.3963@5.957206 + 810.281@5.957206 5.957206 (811.2883, 2330.97) 1 810.281 810.281@5.957206 + 651.4062@5.9624114 5.9624114 (652.40717, 4339.112)(653.4061, 1793.904)(674.3865, 2022.0)(675.39, 1140.085) 6 651.4062 651.4062@5.9624114 + 763.4487@5.9668927 5.9668927 (764.4559, 1308.57)(765.4621, 796.11334)(766.4623, 2434.885)(767.46014, 1267.155)(768.4532, 2090.12) 3 763.4487 763.4487@5.9668927 + 749.4754@5.9633694 5.9633694 (750.4721, 2421.97)(751.4755, 1201.4734)(752.4589, 1501.928)(753.4569, 779.42004)(754.45, 1896.15) 6 749.4754 749.4754@5.9633694 + 760.5808@5.9629536 5.9629536 (761.58826, 48897.25)(762.5918, 9315.596)(763.5962, 2311.97)(783.5702, 5925.38)(784.578, 2439.47)(785.5829, 1622.32) 2 760.5808 760.5808@5.9629536 + 868.5064@5.9650383 5.9650383 (869.5147, 5074.2646)(870.5389, 4498.755)(871.5457, 1474.3) 2 868.5064 868.5064@5.9650383 + 1082.6107@5.9601893 5.9601893 (1083.618, 853.09)(1084.6086, 343.5)(1085.6304, 431.25) 1 1082.6107 1082.6107@5.9601893 + 813.6236@6.024466 6.024466 (814.6308, 7069.633)(815.63495, 3072.27)(816.63257, 1931.0732)(836.6115, 3090.048)(837.6146, 1584.822)(838.6238, 1321.075) 6 813.6236 813.6236@6.024466 + 981.5085@5.958545 5.958545 (982.5152, 1213.555)(983.51886, 932.67)(984.5295, 1355.44)(985.5306, 553.6867)(986.5227, 1124.02)(964.5005, 1272.11)(965.511, 861.09)(966.5194, 2586.43) 4 981.5085 981.5085@5.958545 + 878.5998@5.9666767 5.9666767 (879.60474, 2091.26)(880.60846, 1388.2812)(881.6137, 641.17)(861.593, 1178.96) 9 878.5998 878.5998@5.9666767 + 878.2682@5.9621787 5.9621787 (879.2755, 1271.48) 1 878.2682 878.2682@5.9621787 + 1003.3625@5.9621787 5.9621787 (1004.3698, 1325.13) 1 1003.3625 1003.3625@5.9621787 + 923.5099@5.9374056 5.9374056 (924.5167, 2918.9565)(925.5193, 1634.5177)(926.52734, 2379.7412)(927.52966, 863.91)(928.54443, 3815.5298)(906.4976, 870.39)(907.4988, 957.53) 9 923.5099 923.5099@5.9374056 + 737.4457@5.963173 5.963173 (738.453, 2017.94)(739.4584, 1008.74)(740.442, 1520.21) 1 737.4457 737.4457@5.963173 + 905.5583@5.9756103 5.9756103 (906.56775, 1519.162)(907.5706, 783.4666)(908.5798, 1181.25)(888.5515, 1520.02)(889.5501, 718.53)(890.5394, 1601.58)(928.5497, 2386.125)(929.5491, 891.95)(930.5595, 2866.37)(931.5532, 800.97)(932.5654, 1608.19) 5 905.5583 905.5583@5.9756103 + 1042.6099@5.9644837 5.9644837 (1043.6188, 935.215)(1044.6255, 791.02) 2 1042.6099 1042.6099@5.9644837 + 700.4473@6.0077004 6.0077004 (701.4554, 6266.66)(702.4569, 2172.17) 3 700.4473 700.4473@6.0077004 + 1038.6176@5.9690104 5.9690104 (1039.6243, 1757.592)(1040.6293, 1406.386)(1041.6198, 821.7875)(1021.61475, 2345.7334)(1022.61896, 1416.73)(1023.6219, 813.32)(1061.6135, 989.94) 5 1038.6176 1038.6176@5.9690104 + 794.306@5.963173 5.963173 (795.3132, 6829.04)(796.3159, 1077.92) 1 794.306 794.306@5.963173 + 788.2861@5.963173 5.963173 (789.2933, 2872.22) 1 788.2861 788.2861@5.963173 + 981.3679@5.963173 5.963173 (982.3752, 1601.74) 1 981.3679 981.3679@5.963173 + 1066.6481@5.9659004 5.9659004 (1067.6564, 1160.1666)(1068.6517, 888.83)(1069.6503, 780.81)(1049.6377, 608.54) 3 1066.6481 1066.6481@5.9659004 + 1004.6748@5.9641676 5.9641676 (1005.6821, 1397.89) 1 1004.6748 1004.6748@5.9641676 + 579.2427@5.965162 5.965162 (1181.4756, 1335.11)(580.2495, 2492.34)(602.232, 19134.96)(603.2351, 2048.25) 1 579.2427 579.2427@5.965162 + 987.3865@5.965162 5.965162 (988.3938, 4344.75) 1 987.3865 987.3865@5.965162 + 408.1443@5.9664273 5.9664273 (409.15125, 4231.272)(410.15494, 853.245) 12 408.1443 408.1443@5.9664273 + 781.5587@5.968429 5.968429 (782.5662, 23357.59)(783.5697, 7466.36)(784.5733, 2518.22)(785.5796, 473.69) 4 781.5587 781.5587@5.968429 + 862.2922@5.9661565 5.9661565 (863.2994, 1378.97) 1 862.2922 862.2922@5.9661565 + 1028.6838@5.9700546 5.9700546 (1029.6919, 1033.465)(1030.6978, 730.315) 2 1028.6838 1028.6838@5.9700546 + 689.3413@5.966289 5.966289 (690.3432, 3109.0)(691.34753, 1279.98) 2 689.3413 689.3413@5.966289 + 669.2115@5.9671507 5.9671507 (670.2187, 2137.83) 1 669.2115 669.2115@5.9671507 + 1020.611@5.9676485 5.9676485 (1021.6162, 3190.06)(1022.61957, 1806.3076)(1023.62256, 989.4666) 4 1020.611 1020.611@5.9676485 + 547.167@5.9701347 5.9701347 (548.1743, 2796.01) 1 547.167 547.167@5.9701347 + 730.4598@5.9701347 5.9701347 (731.467, 935.71) 1 730.4598 730.4598@5.9701347 + 717.5643@5.971129 5.971129 (718.5716, 1126.53) 1 717.5643 717.5643@5.971129 + 751.4583@5.9741125 5.9741125 (752.4655, 1312.19)(753.4712, 882.5) 1 751.4583 751.4583@5.9741125 + 651.3791@5.963177 5.963177 (652.38525, 6729.2983)(653.3935, 2594.9133)(674.3707, 2926.525)(675.37024, 1247.1951)(676.3708, 1584.39) 5 651.3791 651.3791@5.963177 + 711.4789@5.9664283 5.9664283 (712.4829, 3787.695)(713.48145, 1788.9183)(714.46643, 2319.5798)(715.472, 1011.57)(734.471, 1458.56) 8 711.4789 711.4789@5.9664283 + 351.0374@5.9890304 5.9890304 (352.0446, 4900.11) 1 351.0374 351.0374@5.9890304 + 582.0693@5.9959917 5.9959917 (583.0766, 1444.72) 1 582.0693 582.0693@5.9959917 + 891.5774@6.037563 6.037563 (892.58777, 2461.565)(893.5906, 1348.24)(894.59827, 955.53)(914.5642, 1408.97) 2 891.5774 891.5774@6.037563 + 805.5573@6.104291 6.104291 (806.55884, 2187.745)(807.5632, 1519.0349)(808.5823, 34158.06)(828.5483, 987.01)(829.5528, 542.5)(830.5535, 961.12)(831.5563, 252.39)(832.5774, 931.91) 2 805.5573 805.5573@6.104291 + 653.4253@6.058641 6.058641 (654.4326, 1997.8) 1 653.4253 653.4253@6.058641 + 185.1053@6.0964274 6.0964274 (186.1126, 7344.05)(187.1153, 1215.92) 1 185.1053 185.1053@6.0964274 + 686.4337@6.178993 6.178993 (687.43976, 1747.4199)(688.4466, 1281.2167) 3 686.4337 686.4337@6.178993 + 650.9681@6.1769657 6.1769657 (651.9754, 940.22) 1 650.9681 650.9681@6.1769657 + 689.4239@6.1818557 6.1818557 (690.4296, 3063.5715)(691.43225, 2090.68)(692.4479, 1745.12)(672.4204, 29048.547)(673.42426, 10740.69)(674.43506, 5402.58)(675.4382, 1937.4)(712.4121, 1915.37)(713.4124, 1019.63) 7 689.4239 689.4239@6.1818557 + 699.4404@6.1918797 6.1918797 (700.4477, 3075.07)(701.4516, 1065.43)(702.4277, 1641.44) 1 699.4404 699.4404@6.1918797 + 376.9685@6.199719 6.199719 (377.9766, 1216.655) 2 376.9685 376.9685@6.199719 + 512.9435@6.201822 6.201822 (513.9508, 981.05) 1 512.9435 512.9435@6.201822 + 439.3043@6.2067933 6.2067933 (440.3116, 1339.01) 1 439.3043 439.3043@6.2067933 + 467.2979@6.226677 6.226677 (468.3051, 1302.04) 1 467.2979 467.2979@6.226677 + 676.4477@6.227671 6.227671 (677.4549, 2151.38) 1 676.4477 676.4477@6.227671 + 640.3749@6.240596 6.240596 (641.3868, 955.94)(658.4074, 2015.05) 1 640.3749 640.3749@6.240596 + 869.5408@6.2963295 6.2963295 (870.54767, 2102.9333)(871.55066, 1212.4299)(872.5602, 1240.03)(852.54034, 1294.54)(853.53784, 854.43)(854.5547, 2924.805)(855.5562, 1350.825)(856.5686, 2234.45) 3 869.5408 869.5408@6.2963295 + 832.5648@6.2619877 6.2619877 (833.5723, 1998.8267)(834.5869, 1197.075)(835.59204, 764.865)(855.5572, 1067.76) 3 832.5648 832.5648@6.2619877 + 924.5757@6.3165674 6.3165674 (925.57947, 1302.605)(926.579, 744.31) 2 924.5757 924.5757@6.3165674 + 691.442@6.300244 6.300244 (692.4494, 5308.92)(693.4531, 2579.39)(674.4386, 6908.32)(675.4409, 1465.27)(714.4315, 1776.66)(715.433, 316.72)(716.4467, 1103.29) 1 691.442 691.442@6.300244 + 488.8082@6.314161 6.314161 (489.8155, 2222.78) 1 488.8082 488.8082@6.314161 + 621.3999@6.3181376 6.3181376 (622.4071, 11680.16) 1 621.3999 621.3999@6.3181376 + 579.3895@6.329479 6.329479 (580.39746, 2103.99)(581.3995, 931.61)(602.3786, 929.16) 2 579.3895 579.3895@6.329479 + 619.3845@6.3144474 6.3144474 (620.3913, 2959.49)(621.3961, 1183.75)(622.3712, 5980.53)(642.3743, 1160.16) 2 619.3845 619.3845@6.3144474 + 906.5659@6.3489532 6.3489532 (907.5731, 855.56)(908.5689, 629.88)(909.5804, 784.18) 1 906.5659 906.5659@6.3489532 + 701.4268@6.3713655 6.3713655 (702.433, 2588.415)(703.4355, 1229.96) 2 701.4268 701.4268@6.3713655 + 719.437@6.384738 6.384738 (720.4443, 2344.33)(721.4487, 1077.84)(722.4232, 1437.55) 1 719.437 719.437@6.384738 + 842.6505@6.4274783 6.4274783 (843.6578, 738.39)(844.6586, 786.77)(845.6681, 796.87) 1 842.6505 842.6505@6.4274783 + 832.5642@6.433442 6.433442 (833.5715, 972.66) 1 832.5642 832.5642@6.433442 + 691.4372@6.4394054 6.4394054 (692.4445, 2001.33)(693.4479, 534.44) 1 691.4372 691.4372@6.4394054 + 743.4381@6.4512873 6.4512873 (744.4454, 3145.6602)(745.449, 1106.8151)(746.459, 595.5) 2 743.4381 743.4381@6.4512873 + 685.4308@6.4503384 6.4503384 (686.4381, 1189.88) 1 685.4308 685.4308@6.4503384 + 766.4451@6.467235 6.467235 (767.4524, 803.88)(768.4593, 634.98) 1 766.4451 766.4451@6.467235 + 705.4245@6.4702163 6.4702163 (706.4317, 2879.46)(707.4335, 1311.74)(708.4462, 1922.51) 1 705.4245 705.4245@6.4702163 + 666.3947@6.4705963 6.4705963 (667.40485, 1695.0349)(668.4035, 855.67) 2 666.3947 666.3947@6.4705963 + 735.434@6.4761796 6.4761796 (736.4412, 1840.4)(737.4445, 614.41) 1 735.434 735.434@6.4761796 + 837.5978@6.4791617 6.4791617 (838.6051, 1741.0) 1 837.5978 837.5978@6.4791617 + 619.3838@6.4891 6.4891 (620.3911, 8367.65)(621.3949, 3056.47) 1 619.3838 619.3838@6.4891 + 896.5446@6.496057 6.496057 (897.5519, 896.27) 1 896.5446 896.5446@6.496057 + 735.4338@6.58461 6.58461 (736.4414, 2002.115)(737.4474, 1318.73)(738.4317, 1189.42)(758.4213, 1285.97) 2 735.4338 735.4338@6.58461 + 357.2281@6.545748 6.545748 (715.4655, 1359.68)(716.4484, 774.85)(358.2347, 1216.04) 1 357.2281 357.2281@6.545748 + 582.3622@6.558667 6.558667 (583.3695, 2567.88) 1 582.3622 582.3622@6.558667 + 766.4325@6.6193724 6.6193724 (767.44824, 1437.52)(789.422, 619.69) 2 766.4325 766.4325@6.6193724 + 591.3868@6.572162 6.572162 (592.3947, 3419.5732)(593.3907, 2218.33) 3 591.3868 591.3868@6.572162 + 753.4488@6.5884795 6.5884795 (754.451, 1678.48)(755.4556, 954.13)(736.4484, 881.34)(737.4613, 1016.13)(738.434, 414.37) 1 753.4488 753.4488@6.5884795 + 621.363@6.578425 6.578425 (622.3713, 3738.0898)(623.3738, 1472.8667)(644.3526, 1194.52) 3 621.363 621.363@6.578425 + 722.4553@6.649095 6.649095 (723.4626, 5868.39)(724.469, 3178.03)(725.4736, 1134.86) 1 722.4553 722.4553@6.649095 + 621.3651@6.7363324 6.7363324 (622.3726, 13328.323)(623.37585, 4964.3833)(644.3524, 1550.065)(645.3519, 1151.16) 6 621.3651 621.3651@6.7363324 + 592.3363@6.6432824 6.6432824 (593.33997, 3501.312)(594.34436, 1964.75)(610.3708, 14609.21)(611.3743, 5028.3)(612.3768, 2143.12) 5 592.3363 592.3363@6.6432824 + 668.3733@6.7285833 6.7285833 (669.3806, 1479.76)(670.3799, 533.47)(671.3941, 303.38) 1 668.3733 668.3733@6.7285833 + 835.6061@6.685297 6.685297 (836.61145, 1429.705)(837.6155, 1012.4433)(838.6231, 842.35) 4 835.6061 835.6061@6.685297 + 822.5022@6.7256207 6.7256207 (823.5077, 1387.405)(824.49457, 1212.4166)(825.5114, 1224.5433) 4 822.5022 822.5022@6.7256207 + 785.4423@6.679775 6.679775 (786.4443, 2148.285)(787.44586, 1073.7925)(788.4677, 1306.24) 4 785.4423 785.4423@6.679775 + 850.5444@6.810079 6.810079 (851.54224, 1069.505)(852.5387, 912.495)(853.571, 675.84) 2 850.5444 850.5444@6.810079 + 546.3494@6.7675605 6.7675605 (1093.7126, 1694.08)(547.3565, 273826.66)(548.3643, 89337.52)(549.3714, 25756.639) 6 546.3494 546.3494@6.7675605 + 1098.1863@6.7443876 6.7443876 (1099.1914, 2086.086)(1100.1808, 2694.5603)(1101.1835, 1857.1533) 5 1098.1863 1098.1863@6.7443876 + 867.0225@6.750441 6.750441 (868.0298, 833.3)(869.0272, 561.92) 1 867.0225 867.0225@6.750441 + 654.3597@6.760477 6.760477 (655.3668, 2730.2349)(656.3752, 1414.5901)(657.3829, 5186.7)(658.3999, 4855.88) 8 654.3597 654.3597@6.760477 + 119.0576@6.7897987 6.7897987 (120.06505, 2653.915) 2 119.0576 119.0576@6.7897987 + 1076.6515@6.837405 6.837405 (1077.6578, 2539.77)(1078.6537, 1523.0625)(1079.6495, 1375.4365) 5 1076.6515 1076.6515@6.837405 + 1066.1364@6.81005 6.81005 (1067.1436, 1363.04)(1068.1445, 1298.36) 1 1066.1364 1066.1364@6.81005 + 795.4484@6.8394294 6.8394294 (796.46075, 1136.485)(797.4817, 1284.63)(778.4469, 1506.76)(779.4489, 683.51) 2 795.4484 795.4484@6.8394294 + 1067.6371@6.8179975 6.8179975 (1068.6444, 1737.73) 1 1067.6371 1067.6371@6.8179975 + 779.463@6.8229647 6.8229647 (780.4703, 1570.53)(781.4681, 1177.61) 1 779.463 779.463@6.8229647 + 670.354@6.845174 6.845174 (671.36084, 1652.2)(672.362, 1260.58) 2 670.354 670.354@6.845174 + 559.2937@6.8388596 6.8388596 (560.301, 1727.56) 1 559.2937 559.2937@6.8388596 + 346.1434@6.886763 6.886763 (347.1503, 1043.7999) 3 346.1434 346.1434@6.886763 + 697.4439@6.8587275 6.8587275 (698.4511, 1617.48)(699.4477, 769.01) 1 697.4439 697.4439@6.8587275 + 520.3349@6.8587275 6.8587275 (521.3422, 9879.32) 1 520.3349 520.3349@6.8587275 + 757.6072@6.860714 6.860714 (758.6145, 827.3) 1 757.6072 757.6072@6.860714 + 131.0584@6.889521 6.889521 (132.0657, 4371.71)(133.0728, 685.63) 1 131.0584 131.0584@6.889521 + 535.3268@7.000846 7.000846 (536.33417, 44099.254)(537.33777, 13473.4)(538.3475, 2086.88) 2 535.3268 535.3268@7.000846 + 710.4206@7.031555 7.031555 (711.4278, 3127.61)(712.4315, 1151.78) 1 710.4206 710.4206@7.031555 + 427.289@7.1141076 7.1141076 (428.2966, 1738.3334)(429.3018, 988.52) 3 427.289 427.289@7.1141076 + 552.3251@7.192856 7.192856 (553.3326, 9902.306)(554.3374, 2564.5964)(555.3372, 1216.235) 9 552.3251 552.3251@7.192856 + 438.0276@7.157124 7.157124 (439.03384, 1388.7367) 3 438.0276 438.0276@7.157124 + 130.0741@7.1656184 7.1656184 (131.0814, 46647.51)(132.0835, 3109.34) 1 130.0741 130.0741@7.1656184 + 718.0984@7.1635284 7.1635284 (719.10547, 1633.9967)(720.1057, 829.77)(721.1015, 1751.665)(722.1021, 431.58) 3 718.0984 718.0984@7.1635284 + 808.6346@7.1676044 7.1676044 (809.6419, 1126.73) 1 808.6346 808.6346@7.1676044 + 284.1599@7.2122865 7.2122865 (285.1672, 5323.46)(286.1722, 975.65) 1 284.1599 284.1599@7.2122865 + 601.3246@7.249023 7.249023 (602.3326, 968.34)(624.3133, 806.08) 1 601.3246 601.3246@7.249023 + 209.047@7.2807937 7.2807937 (210.0543, 10027.66) 1 209.047 209.047@7.2807937 + 234.9905@7.2915435 7.2915435 (235.99739, 1145.1)(257.97876, 925.05005) 4 234.9905 234.9905@7.2915435 + 209.0805@7.5845304 7.5845304 (210.0878, 1262.33) 1 209.0805 209.0805@7.5845304 + 412.2042@7.6083474 7.6083474 (413.2114, 3822.92) 1 412.2042 412.2042@7.6083474 + 694.45@7.693685 7.693685 (695.4573, 882.14) 1 694.45 694.45@7.693685 + 235.9395@7.6996384 7.6996384 (236.9468, 1649.17) 1 235.9395 235.9395@7.6996384 + 187.0279@7.6797824 7.6797824 (188.0354, 4943.8765)(189.0386, 919.09) 3 187.0279 187.0279@7.6797824 + 381.829@7.752225 7.752225 (382.8363, 1564.87) 1 381.829 381.829@7.752225 + 235.9392@7.7853484 7.7853484 (236.94716, 1621.4532)(258.9293, 791.01) 3 235.9392 235.9392@7.7853484 + 580.6951@8.2332 8.2332 (581.7037, 1557.3066) 3 580.6951 580.6951@8.2332 + 202.1428@8.971482 8.971482 (203.1501, 22024.11)(204.1533, 2651.14) 1 202.1428 202.1428@8.971482 + 202.1429@9.014066 9.014066 (203.1502, 7337.02)(204.1543, 931.67) 1 202.1429 202.1429@9.014066 + 356.2061@9.103185 9.103185 (357.2134, 2176.59) 1 356.2061 356.2061@9.103185 + 356.2415@10.492387 10.492387 (357.24905, 2876.0698)(358.252, 1352.47) 2 356.2415 356.2415@10.492387 + 156.9955@13.150505 13.150505 (158.0028, 1326.62) 1 156.9955 156.9955@13.150505 + 145.0112@13.188836 13.188836 (146.0185, 977.72) 1 145.0112 145.0112@13.188836 + 145.0114@13.282195 13.282195 (146.0187, 1358.51) 1 145.0114 145.0114@13.282195 + 156.9951@13.343114 13.343114 (158.0024, 2912.49) 1 156.9951 156.9951@13.343114 + 133.1099@0.6876481 0.6876481 (134.11723, 2873.05) 3 133.1099 133.1099@0.6876481 + 276.9026@0.69508636 0.69508636 (277.9099, 1457.91) 1 276.9026 276.9026@0.69508636 + 393.9727@0.72552073 0.72552073 (394.98047, 3076.72) 2 393.9727 393.9727@0.72552073 + 445.2618@0.7481112 0.7481112 (446.26923, 3556.783)(447.27826, 1389.35)(448.2694, 1695.5049) 7 445.2618 445.2618@0.7481112 + 399.7774@0.75375473 0.75375473 (400.78415, 2573.8901) 5 399.7774 399.7774@0.75375473 + 537.2059@0.7620987 0.7620987 (538.2132, 7395.73)(539.2161, 1679.51)(540.2214, 1316.73) 1 537.2059 537.2059@0.7620987 + 439.2153@0.7650993 0.7650993 (440.2226, 1806.93) 1 439.2153 439.2153@0.7650993 + 316.9873@0.7761014 0.7761014 (317.9946, 1772.78) 1 316.9873 316.9873@0.7761014 + 387.1345@0.8321124 0.8321124 (388.142, 5055.42)(389.1455, 994.75)(410.1228, 958.19) 1 387.1345 387.1345@0.8321124 + 562.938@0.8880284 0.8880284 (563.9455, 1710.46) 2 562.938 562.938@0.8880284 + 821.0318@0.88617086 0.88617086 (822.03815, 1502.8766)(823.0303, 1317.5099)(824.0275, 873.77) 3 821.0318 821.0318@0.88617086 + 405.1823@0.91813 0.91813 (406.1896, 1161.94) 1 405.1823 405.1823@0.91813 + 388.1571@0.92113066 0.92113066 (389.1625, 857.01)(371.1542, 3191.5)(372.1603, 700.16) 1 388.1571 388.1571@0.92113066 + 164.0477@0.92900586 0.92900586 (165.05554, 7623.702)(166.05627, 1534.7773)(167.0453, 1352.78) 4 164.0477 164.0477@0.92900586 + 652.2942@0.93513364 0.93513364 (653.3014, 1287.84)(654.3088, 597.07) 1 652.2942 652.2942@0.93513364 + 401.1503@0.9681407 0.9681407 (402.1576, 2870.17)(403.1605, 706.4) 1 401.1503 401.1503@0.9681407 + 299.0819@0.9731418 0.9731418 (300.0892, 748.29) 1 299.0819 299.0819@0.9731418 + 1151.3148@1.0041486 1.0041486 (1152.3221, 4963.12)(1153.32, 1947.87) 1 1151.3148 1151.3148@1.0041486 + 996.3019@1.006149 1.006149 (997.3092, 3176.29) 1 996.3019 996.3019@1.006149 + 847.2635@1.0148438 1.0148438 (848.2757, 8248.69)(849.27576, 6504.6875)(850.2526, 71693.63) 8 847.2635 847.2635@1.0148438 + 929.2575@1.0082957 1.0082957 (930.2649, 4169.6626)(931.2623, 1634.3475)(932.25525, 842.82996) 4 929.2575 929.2575@1.0082957 + 992.7617@1.01015 1.01015 (993.769, 2377.62)(994.7798, 1391.62)(995.7843, 820.08) 1 992.7617 992.7617@1.01015 + 894.2146@1.0098733 1.0098733 (895.2316, 2389.0032)(896.2233, 1941.8561)(897.22314, 1272.7141) 6 894.2146 894.2146@1.0098733 + 891.2536@1.0131507 1.0131507 (892.2585, 2033.27)(893.2589, 1924.9)(894.2449, 2492.12)(914.2455, 1917.15) 1 891.2536 891.2536@1.0131507 + 968.7656@1.015151 1.015151 (969.7729, 2316.96)(970.7811, 1078.84) 1 968.7656 968.7656@1.015151 + 846.2857@1.0167514 1.0167514 (847.2934, 3852.4534) 3 846.2857 846.2857@1.0167514 + 682.5365@1.0545245 1.0545245 (683.5388, 6952.11)(684.5256, 1037.04)(700.5619, 1964.63)(701.571, 843.83)(702.547, 1609.87)(705.5226, 1959.05) 3 682.5365 682.5365@1.0545245 + 1372.3702@1.0209332 1.0209332 (1373.3784, 2289.805)(1374.3782, 1302.905)(1375.3792, 1030.09) 2 1372.3702 1372.3702@1.0209332 + 550.4919@1.0231528 1.0231528 (551.501, 899.14)(573.4799, 1352.77) 1 550.4919 550.4919@1.0231528 + 643.5407@1.0324466 1.0324466 (644.5519, 2018.625)(645.5567, 1556.59)(666.5285, 2238.26)(667.5309, 1349.1)(668.5446, 2338.01) 2 643.5407 643.5407@1.0324466 + 598.5351@1.0264089 1.0264089 (599.54224, 1790.065) 2 598.5351 598.5351@1.0264089 + 485.4417@1.0391564 1.0391564 (486.449, 1475.06)(487.4517, 808.15) 1 485.4417 485.4417@1.0391564 + 538.248@1.0418266 1.0418266 (539.25494, 10830.601)(540.25946, 4267.335)(556.2783, 1242.68) 3 538.248 538.248@1.0418266 + 447.1087@1.0475096 1.0475096 (448.11603, 2458.7485)(449.11142, 1419.534) 7 447.1087 447.1087@1.0475096 + 561.5027@1.0561603 1.0561603 (562.51, 1537.09)(563.5141, 846.48) 1 561.5027 561.5027@1.0561603 + 513.4357@1.0577908 1.0577908 (514.4436, 2505.6924)(515.44946, 1477.98)(516.425, 21745.19) 4 513.4357 513.4357@1.0577908 + 516.4208@1.0561603 1.0561603 (517.4281, 7062.5) 1 516.4208 516.4208@1.0561603 + 499.42@1.0571606 1.0571606 (500.4273, 3233.04)(501.4339, 1561.78)(502.4094, 14282.19) 1 499.42 499.42@1.0571606 + 723.4377@1.0653838 1.0653838 (724.44556, 2432.145)(725.4487, 1567.0)(726.4544, 1509.13) 2 723.4377 723.4377@1.0653838 + 356.1297@1.0699251 1.0699251 (357.1364, 14853.32)(358.14066, 2979.6501)(374.166, 9950.52)(375.1728, 3836.47)(379.1207, 1374.3999) 2 356.1297 356.1297@1.0699251 + 844.7349@1.0661626 1.0661626 (845.7422, 2841.12) 1 844.7349 844.7349@1.0661626 + 214.1029@1.0661626 1.0661626 (215.1101, 184149.55)(216.1136, 24642.64)(217.1078, 10568.78)(218.1119, 1642.46) 1 214.1029 214.1029@1.0661626 + 340.1711@1.0671629 1.0671629 (341.1783, 362141.06)(342.1812, 73304.52)(343.1776, 23791.38)(344.1675, 6631.57)(358.2049, 1869.17)(363.1607, 18470.28)(364.1649, 4329.98)(365.148, 2130.82) 1 340.1711 340.1711@1.0671629 + 703.4996@1.068163 1.068163 (704.5069, 1579.28)(705.5114, 686.31)(706.5251, 568.65) 1 703.4996 703.4996@1.068163 + 453.3446@1.0724177 1.0724177 (454.35168, 3291.355)(471.3828, 2173.36)(476.3306, 2253.97) 2 453.3446 453.3446@1.0724177 + 354.3443@1.0691633 1.0691633 (355.3516, 1640.74) 1 354.3443 354.3443@1.0691633 + 656.5226@1.0691633 1.0691633 (657.5298, 1840.06) 1 656.5226 656.5226@1.0691633 + 462.2175@1.0682847 1.0682847 (463.22516, 1832.46) 5 462.2175 462.2175@1.0682847 + 641.5033@1.1220648 1.1220648 (642.51245, 4001.935)(643.51855, 1864.425)(644.5178, 7465.06)(645.5198, 3644.9) 2 641.5033 641.5033@1.1220648 + 330.183@1.1152803 1.1152803 (331.18835, 9535.84)(332.1969, 5106.4)(348.2171, 3319.93)(353.1719, 4863.43)(354.1867, 895.59) 2 330.183 330.183@1.1152803 + 727.4996@1.0849931 1.0849931 (728.499, 1871.0387)(729.49347, 1210.8783)(730.507, 3159.75)(731.5082, 2554.12)(732.5216, 2182.03)(710.4966, 1739.82)(711.4861, 1523.88)(712.4986, 3227.54)(713.4986, 2112.68)(714.5096, 4220.95)(750.482, 884.57666) 8 727.4996 727.4996@1.0849931 + 683.4687@1.0719004 1.0719004 (684.47266, 2080.25)(685.4708, 1399.49)(686.4726, 2052.85)(666.46204, 1428.415)(667.4637, 1135.61) 2 683.4687 683.4687@1.0719004 + 524.4418@1.0775911 1.0775911 (525.44916, 2427.8022)(526.4586, 1004.7)(527.4535, 791.32)(507.43872, 1559.46)(542.4736, 1836.74)(547.43475, 4751.34)(548.4499, 3066.53) 13 524.4418 524.4418@1.0775911 + 311.1898@1.0731641 1.0731641 (312.197, 11912.27)(313.2011, 4638.9) 1 311.1898 311.1898@1.0731641 + 427.292@1.0846807 1.0846807 (855.5887, 739.17)(877.5824, 744.32)(428.29916, 4230.87)(429.30142, 2357.809)(445.3314, 3730.59)(450.2786, 2489.49) 13 427.292 427.292@1.0846807 + 457.2468@1.0780038 1.0780038 (458.25543, 3387.6199)(459.25922, 2149.3152)(460.2355, 7780.62)(461.2415, 3427.32)(462.2495, 1829.08) 5 457.2468 457.2468@1.0780038 + 260.1099@1.0821663 1.0821663 (261.1172, 5771.55)(262.1217, 1426.38) 1 260.1099 260.1099@1.0821663 + 164.085@1.0831665 1.0831665 (329.1782, 6462.84)(165.0914, 4044.83) 1 164.085 164.085@1.0831665 + 494.2112@1.0841668 1.0841668 (495.2184, 1245.22) 1 494.2112 494.2112@1.0841668 + 418.1676@1.085167 1.085167 (419.1748, 5668.05) 1 418.1676 418.1676@1.085167 + 246.0932@1.0868129 1.0868129 (247.10017, 1311024.9)(248.10432, 154023.92)(249.09995, 92059.85)(250.1013, 19989.7)(251.1017, 2484.6) 3 246.0932 246.0932@1.0868129 + 364.2609@1.0924333 1.0924333 (365.26825, 5148.3003)(366.2699, 2019.969) 11 364.2609 364.2609@1.0924333 + 126.0678@1.0861671 1.0861671 (127.0751, 31832.96)(128.0785, 2198.23)(129.0697, 1237.43) 1 126.0678 126.0678@1.0861671 + 616.4668@1.093213 1.093213 (617.4728, 4612.593)(618.4713, 3340.8003)(619.4788, 2834.2734)(639.4562, 1118.13) 7 616.4668 616.4668@1.093213 + 372.1604@1.0891448 1.0891448 (767.3111, 36685.66)(768.3139, 15226.2)(769.3122, 7551.86)(770.3133, 1995.35)(373.16812, 782142.0)(374.1713, 481205.03)(375.1692, 144361.7)(376.1713, 28398.43)(377.1799, 6329.34)(390.196, 428126.78)(391.1987, 134335.11)(392.19116, 39217.14)(393.1973, 15316.26)(394.2005, 3218.12)(395.15088, 191732.16)(396.15485, 39981.824)(397.1507, 24449.75)(398.1529, 4864.35) 3 372.1604 372.1604@1.0891448 + 328.2403@1.0885 1.0885 (329.24796, 9642.7295)(330.2557, 4835.61) 3 328.2403 328.2403@1.0885 + 796.7249@1.0912627 1.0912627 (797.72125, 1343.6615) 7 796.7249 796.7249@1.0912627 + 270.0529@1.0943499 1.0943499 (271.0602, 10414.497)(272.0642, 2032.5502) 3 270.0529 270.0529@1.0943499 + 542.3994@1.089601 1.089601 (543.4047, 4547.7397) 4 542.3994 542.3994@1.089601 + 92.0623@1.0868688 1.0868688 (93.0696, 2267.805)(94.0651, 489.53) 2 92.0623 92.0623@1.0868688 + 568.4687@1.0953771 1.0953771 (569.4703, 3309.4102)(591.4568, 5579.4746) 2 568.4687 568.4687@1.0953771 + C44 H85 N O4 1.0947552 [ C44 H85 N O4, mfg=96.44, overall=96.44 ] (692.6513, 4302.0303)(693.65607, 2068.8462)(694.6596, 991.92334)(674.64374, 22029.537)(675.6474, 10583.195)(676.6514, 3265.1228)(677.65643, 1057.2617) 11 691.6468 C44 H85 N O4 + C35 H41 N O 1.0963532 [ C35 H41 N O, mfg=57.06, overall=57.06 ] (492.32443, 4520.407)(493.33234, 2386.2378) 7 491.3181 C35 H41 N O + 402.2813@1.1254625 1.1254625 (403.2859, 4022.68)(420.316, 8820.4)(421.3225, 5908.01) 2 402.2813 402.2813@1.1254625 + 422.1956@1.1073718 1.1073718 (423.20172, 3125.08)(424.19666, 1538.435) 4 422.1956 422.1956@1.1073718 + 476.1481@1.1011707 1.1011707 (477.1554, 1349.24) 1 476.1481 476.1481@1.1011707 + 759.6378@1.1048076 1.1048076 (760.64026, 1273.465)(761.6328, 924.07996) 2 759.6378 759.6378@1.1048076 + 269.1423@1.1032395 1.1032395 (270.14944, 6819.807)(271.1604, 4579.4) 4 269.1423 269.1423@1.1032395 + 512.269@1.1061717 1.1061717 (513.2803, 848.13)(495.2652, 4241.6)(496.2717, 1959.92) 1 512.269 512.269@1.1061717 + 324.1569@1.1061717 1.1061717 (325.1642, 10730.19)(326.1714, 2773.84) 1 324.1569 324.1569@1.1061717 + 589.5434@1.1102475 1.1102475 (590.5502, 1522.085)(591.5527, 890.59)(592.56494, 2557.0898)(593.57263, 996.91003)(594.57935, 767.46497) 4 589.5434 589.5434@1.1102475 + 395.1457@1.1111729 1.1111729 (396.1529, 34440.3)(397.1511, 11422.79)(398.153, 2841.29) 1 395.1457 395.1457@1.1111729 + 255.2561@1.1155245 1.1155245 (256.26303, 20279.613)(257.26593, 3886.8723)(258.2701, 961.94) 4 255.2561 255.2561@1.1155245 + 633.5746@1.1180477 1.1180477 (634.57776, 2258.4275)(635.57983, 1219.9049)(636.5895, 1817.915)(637.5946, 690.88)(616.5658, 1478.4) 4 633.5746 633.5746@1.1180477 + 322.2137@1.118762 1.118762 (645.43335, 1400.755)(323.22052, 4285.4873)(324.21735, 2220.815)(325.2119, 5951.07)(305.2095, 2866.815)(306.2193, 1211.33) 4 322.2137 322.2137@1.118762 + 703.6114@1.1168693 1.1168693 (704.61676, 1632.6399)(705.6201, 1036.5586) 8 703.6114 703.6114@1.1168693 + 242.1893@1.0900948 1.0900948 (507.3686, 3745.5)(243.1963, 2324.59)(244.1924, 1288.38)(245.191, 1984.29)(265.17902, 4253.223)(266.17352, 1802.8151)(267.1723, 15069.03)(268.1821, 3411.18) 3 242.1893 242.1893@1.0900948 + 230.1301@1.1181747 1.1181747 (231.1373, 2531.14) 1 230.1301 230.1301@1.1181747 + 362.1736@1.1193719 1.1193719 (363.1799, 2191.39)(345.1712, 3993.08) 2 362.1736 362.1736@1.1193719 + 491.2352@1.1201751 1.1201751 (492.2425, 1824.41) 1 491.2352 491.2352@1.1201751 + 410.1366@1.1201751 1.1201751 (411.1439, 9438.55)(412.1474, 2410.27)(413.1542, 1002.9) 1 410.1366 410.1366@1.1201751 + 405.1819@1.1201751 1.1201751 (406.1892, 40166.91)(407.1945, 9412.37)(408.1927, 3596.05) 1 405.1819 405.1819@1.1201751 + 729.5551@1.1211754 1.1211754 (730.5624, 457.23)(731.5743, 390.7)(732.5618, 2063.01)(733.5571, 1207.13) 1 729.5551 729.5551@1.1211754 + 226.1572@1.1173112 1.1173112 (453.31985, 3049.7168)(470.34726, 8535.524)(471.36108, 4398.2734)(472.3602, 5119.693)(475.29996, 2907.3098)(227.16399, 4810.8125)(228.16185, 2860.4648)(249.14825, 4945.0303) 7 226.1572 226.1572@1.1173112 + 714.526@1.122881 1.122881 (715.5295, 1933.4232)(716.5428, 1967.72)(717.546, 1663.92)(732.56177, 2216.18)(733.5637, 1823.04)(734.5731, 1912.15) 3 714.526 714.526@1.122881 + 505.4817@1.1251763 1.1251763 (506.489, 1102.07) 1 505.4817 505.4817@1.1251763 + 164.0844@1.1894727 1.1894727 (165.09201, 6442.995) 2 164.0844 164.0844@1.1894727 + 497.3703@1.1284194 1.1284194 (498.37827, 4722.813)(499.37625, 2577.4302) 3 497.3703 497.3703@1.1284194 + 370.1451@1.1261766 1.1261766 (371.1524, 323788.84)(372.1557, 65572.24)(393.1345, 12932.3)(394.1379, 2879.55) 1 370.1451 370.1451@1.1261766 + 353.2591@1.1164389 1.1164389 (354.26843, 21993.877)(376.2478, 3973.32) 5 353.2591 353.2591@1.1164389 + C36 H60 Cl N4 O 1.1578817 [ C36 H60 Cl N4 O, mfg=47.61, overall=47.61 ] (600.4497, 2712.637)(601.44824, 1745.7161)(602.4456, 2088.1367)(622.4347, 1246.8) 6 599.4414 C36 H60 Cl N4 O + 693.5794@1.1267335 1.1267335 (694.59424, 1550.0239)(695.5912, 1034.3158)(696.5778, 1344.8525) 8 693.5794 693.5794@1.1267335 + 460.3184@1.1275954 1.1275954 (461.32532, 4079.7349) 4 460.3184 460.3184@1.1275954 + 262.0876@1.1321778 1.1321778 (263.0946, 7072.36)(264.0973, 1353.25)(280.1239, 1237.54) 1 262.0876 262.0876@1.1321778 + 256.1323@1.1331781 1.1331781 (257.1424, 2141.84)(239.1286, 28620.71)(240.1319, 5387.26)(279.1226, 2586.39) 1 256.1323 256.1323@1.1331781 + 340.2601@1.1187257 1.1187257 (341.26413, 3534.7234)(342.2648, 1974.24)(323.2576, 7566.1)(324.2604, 2746.44) 3 340.2601 340.2601@1.1187257 + 687.5264@1.1361789 1.1361789 (688.5336, 1982.35)(689.5507, 1225.49) 1 687.5264 687.5264@1.1361789 + 757.4829@1.1361789 1.1361789 (758.4902, 1447.08)(759.4925, 999.36) 1 757.4829 757.4829@1.1361789 + 623.5482@1.1325849 1.1325849 (624.55383, 1463.0228)(625.55646, 770.5234)(626.5693, 915.55505)(606.5423, 1238.2367) 7 623.5482 623.5482@1.1325849 + 770.6385@1.1394626 1.1394626 (771.64325, 3895.835)(772.6398, 2473.8875)(773.6503, 1462.67) 4 770.6385 770.6385@1.1394626 + 676.5002@1.1360329 1.1360329 (677.5081, 2204.9417)(678.4926, 3576.88)(694.5415, 2027.66)(695.5534, 1114.75) 6 676.5002 676.5002@1.1360329 + 646.6359@1.1422647 1.1422647 (647.6424, 2068.28) 3 646.6359 646.6359@1.1422647 + 669.6216@1.1441808 1.1441808 (670.6289, 1116.63) 1 669.6216 669.6216@1.1441808 + 246.0928@1.1434617 1.1434617 (247.10005, 901146.94)(248.10394, 102333.93)(249.10275, 68550.25)(250.1016, 15415.16)(251.1018, 4184.59)(269.0817, 68480.18)(270.0853, 8809.88)(271.0797, 3106.25) 3 246.0928 246.0928@1.1434617 + 204.0459@1.1441808 1.1441808 (205.0531, 4078.22) 1 204.0459 204.0459@1.1441808 + 96.0575@1.1414859 1.1414859 (215.1058, 1115.05)(97.064545, 6646.4746)(98.0697, 553.765) 2 96.0575 96.0575@1.1414859 + 628.3476@1.145181 1.145181 (629.3549, 5644.77)(630.3571, 2707.03)(631.359, 1209.49) 1 628.3476 628.3476@1.145181 + 487.2062@1.1471814 1.1471814 (488.2135, 1475.93)(489.2178, 722.4) 1 487.2062 487.2062@1.1471814 + 808.3471@1.1481817 1.1481817 (809.3544, 2831.9)(810.3577, 1376.99) 1 808.3471 808.3471@1.1481817 + 336.2276@1.1799011 1.1799011 (337.2359, 18551.396)(338.2391, 13486.17)(319.2258, 16198.68)(320.2293, 4248.95) 4 336.2276 336.2276@1.1799011 + 304.1476@1.1511824 1.1511824 (305.1549, 5586.4) 1 304.1476 304.1476@1.1511824 + 1278.993@1.1550115 1.1550115 (1280.0005, 2239.875)(1281.0045, 2073.4875)(1282.0085, 1140.535) 8 1278.993 1278.993@1.1550115 + 405.185@1.1651857 1.1651857 (406.1923, 4379.13)(407.2013, 2366.22) 1 405.185 405.185@1.1651857 + 444.3222@1.197268 1.197268 (445.32968, 2218.3835) 3 444.3222 444.3222@1.197268 + 724.6005@1.1998967 1.1998967 (725.6133, 9691.05)(726.61346, 5194.76)(727.6293, 4429.6553)(747.5903, 3079.86)(748.6004, 2085.9)(749.605, 6534.89)(750.6108, 3045.01)(751.6186, 12636.85) 3 724.6005 724.6005@1.1998967 + 745.4582@1.1721874 1.1721874 (746.4655, 3718.34)(747.4668, 2092.19) 1 745.4582 745.4582@1.1721874 + 350.1727@1.1762854 1.1762854 (351.1803, 7488.84)(352.1949, 2262.33) 2 350.1727 350.1727@1.1762854 + 92.0624@1.2221233 1.2221233 (93.06935, 6791.1504) 2 92.0624 92.0624@1.2221233 + 244.0769@1.18319 1.18319 (245.0842, 9551.28)(246.0872, 1851.91) 1 244.0769 244.0769@1.18319 + 747.4709@1.1891915 1.1891915 (748.4781, 1983.71)(749.4844, 1440.64) 1 747.4709 747.4709@1.1891915 + 262.0876@1.1941926 1.1941926 (263.0948, 20127.94)(264.0986, 2631.64)(285.0767, 3392.38) 1 262.0876 262.0876@1.1941926 + 212.1056@1.1905295 1.1905295 (442.2438, 9490.61)(447.2008, 4643.975)(213.11186, 4627.017)(195.1016, 7693.75)(230.14046, 8092.737)(231.1406, 2274.39)(235.09506, 2673.965) 3 212.1056 212.1056@1.1905295 + 394.4282@1.1908822 1.1908822 (395.43353, 1692.2) 2 394.4282 394.4282@1.1908822 + 524.2868@1.199194 1.199194 (525.2941, 1554.76)(526.3005, 1010.77) 1 524.2868 524.2868@1.199194 + 186.0899@1.2026641 1.2026641 (187.09729, 5750.5)(188.10135, 1249.035) 2 186.0899 186.0899@1.2026641 + 142.0621@1.2021947 1.2021947 (143.0696, 12756.42)(165.0493, 1373.29) 1 142.0621 142.0621@1.2021947 + 589.4393@1.2031949 1.2031949 (590.4465, 3833.44)(591.4625, 1308.27)(592.4559, 2807.3) 1 589.4393 589.4393@1.2031949 + 755.6268@1.1776004 1.1776004 (756.63416, 2020.9513)(757.6359, 1151.1066) 8 755.6268 755.6268@1.1776004 + 226.1575@1.2086252 1.2086252 (227.16449, 4731.135)(228.165, 2480.23)(244.1898, 5948.47)(249.14786, 4611.715)(250.1453, 2036.58) 2 226.1575 226.1575@1.2086252 + 526.2629@1.2111968 1.2111968 (527.2702, 2714.22)(528.2779, 1301.38) 1 526.2629 526.2629@1.2111968 + 246.0927@1.2131974 1.2131974 (247.0999, 190025.08)(248.1034, 23735.57)(249.1003, 9605.4)(250.1073, 1425.66) 1 246.0927 246.0927@1.2131974 + 240.1362@1.2131974 1.2131974 (241.1435, 4320.12)(242.1409, 1450.76)(223.1329, 5848.89)(263.1259, 2003.41) 1 240.1362 240.1362@1.2131974 + 405.1834@1.2151978 1.2151978 (406.1907, 6410.02)(407.2057, 3701.18) 1 405.1834 405.1834@1.2151978 + 410.1374@1.2151978 1.2151978 (411.1447, 5801.58)(412.15, 1436.72)(413.1489, 927.86) 1 410.1374 410.1374@1.2151978 + 372.1604@1.2171983 1.2171983 (373.1676, 86549.4)(374.1716, 20083.96)(390.1944, 48714.53)(391.2032, 12314.59)(392.1994, 4521.22) 1 372.1604 372.1604@1.2171983 + 370.1448@1.2181985 1.2181985 (371.152, 14656.12)(372.1568, 2976.26) 1 370.1448 370.1448@1.2181985 + 126.0682@1.2191987 1.2191987 (253.1438, 12267.24)(270.1706, 2351.91)(275.1252, 1552.84)(127.0752, 3944.16) 1 126.0682 126.0682@1.2191987 + 446.192@1.2021939 1.2021939 (447.20023, 2837.1465) 3 446.192 446.192@1.2021939 + 317.2188@1.200949 1.200949 (318.231, 5603.503)(319.2269, 2551.03) 7 317.2188 317.2188@1.200949 + 273.194@1.2083534 1.2083534 (564.4231, 3477.145)(274.20132, 4506.3984)(275.20215, 2669.9648)(276.1913, 4664.31) 5 273.194 273.194@1.2083534 + 651.9168@1.2231998 1.2231998 (652.924, 6099.27)(653.927, 1607.72)(654.9212, 6738.49)(655.9256, 1218.48)(656.9196, 2578.38)(657.923, 442.65) 1 651.9168 651.9168@1.2231998 + 537.362@1.1973529 1.1973529 (538.36304, 3170.5693)(539.35724, 1557.7952)(540.342, 840.91) 11 537.362 537.362@1.1973529 + 672.5497@1.1699364 1.1699364 (673.5595, 2541.3035)(674.5684, 1428.21) 3 672.5497 672.5497@1.1699364 + 275.209@1.2312016 1.2312016 (276.2163, 7304.97) 1 275.209 275.209@1.2312016 + 390.1272@1.2312016 1.2312016 (391.1345, 8653.86)(392.137, 1570.56)(393.134, 7089.35)(394.1361, 1717.39) 1 390.1272 390.1272@1.2312016 + 315.2551@1.235907 1.235907 (316.26126, 4488.4624)(317.2665, 1617.5917) 7 315.2551 315.2551@1.235907 + 194.1696@1.2312016 1.2312016 (389.3417, 858.24)(195.1746, 3712.44)(217.1594, 9698.53) 1 194.1696 194.1696@1.2312016 + 652.3268@1.2322019 1.2322019 (653.3341, 2120.92) 1 652.3268 652.3268@1.2322019 + 454.3269@1.2323859 1.2323859 (455.33398, 35020.734)(456.33667, 11419.795)(457.33585, 3162.92) 2 454.3269 454.3269@1.2323859 + 460.1818@1.2332022 1.2332022 (461.1891, 1270.02)(462.1943, 648.52) 1 460.1818 460.1818@1.2332022 + 468.2576@1.2332022 1.2332022 (469.2649, 4058.89)(470.2697, 1727.68) 1 468.2576 468.2576@1.2332022 + 448.2296@1.2476588 1.2476588 (449.24146, 3865.2334)(450.2413, 3105.2)(451.2339, 1700.52) 3 448.2296 448.2296@1.2476588 + 490.4487@1.2492517 1.2492517 (491.4562, 1747.6443)(492.45844, 1032.312)(493.4669, 732.85) 7 490.4487 490.4487@1.2492517 + 592.3081@1.2472056 1.2472056 (593.3183, 2378.16)(594.32, 1254.02)(610.3429, 1481.18)(615.2947, 3477.75)(616.2991, 1349.77) 1 592.3081 592.3081@1.2472056 + 579.4111@1.247205 1.247205 (580.418, 2181.87)(581.4252, 1112.5275) 4 579.4111 579.4111@1.247205 + 670.4921@1.2512066 1.2512066 (671.4993, 2097.89) 1 670.4921 670.4921@1.2512066 + 265.1828@1.3509556 1.3509556 (266.18704, 31067.992)(267.19305, 7519.7)(268.1865, 12449.21) 3 265.1828 265.1828@1.3509556 + 338.1552@1.2542073 1.2542073 (339.1625, 15846.11)(340.1686, 4016.96) 1 338.1552 338.1552@1.2542073 + 385.1563@1.2542073 1.2542073 (386.1635, 13084.46)(387.1641, 4218.83)(408.1457, 1336.74) 1 385.1563 385.1563@1.2542073 + 406.1869@1.2552075 1.2552075 (407.1941, 2283.3) 1 406.1869 406.1869@1.2552075 + 159.0903@1.256208 1.256208 (319.1917, 2436.82)(336.2106, 1286.11)(160.0967, 2454.14) 1 159.0903 159.0903@1.256208 + 727.5062@1.2572081 1.2572081 (728.5123, 3376.52)(729.5315, 1752.14)(750.496, 4685.81)(751.4984, 2488.54) 1 727.5062 727.5062@1.2572081 + 621.3308@1.2592086 1.2592086 (622.3381, 6463.82)(623.3388, 2475.61)(624.3434, 1570.03) 1 621.3308 621.3308@1.2592086 + 464.1844@1.2602088 1.2602088 (465.1917, 2276.57) 1 464.1844 464.1844@1.2602088 + 524.4509@1.2648222 1.2648222 (525.458, 3613.75) 2 524.4509 524.4509@1.2648222 + 368.1661@1.2602088 1.2602088 (369.1734, 6066.38)(370.1772, 2338.04) 1 368.1661 368.1661@1.2602088 + 747.4724@1.2612091 1.2612091 (748.4797, 1686.23) 1 747.4724 747.4724@1.2612091 + 597.3336@1.2632096 1.2632096 (598.3407, 2994.64)(599.3443, 1576.93)(620.323, 1844.17)(621.3416, 1320.49) 1 597.3336 597.3336@1.2632096 + 204.0457@1.2632096 1.2632096 (205.0529, 96596.32)(206.056, 8746.25)(207.0507, 4287.37) 1 204.0457 204.0457@1.2632096 + 1021.7476@1.2648053 1.2648053 (1022.75476, 1470.8263)(1023.7589, 981.2486)(1024.7657, 701.88) 8 1021.7476 1021.7476@1.2648053 + 414.2184@1.26521 1.26521 (415.2257, 94081.38)(416.2297, 21534.11)(417.2276, 7889.84) 1 414.2184 414.2184@1.26521 + 402.1705@1.2662103 1.2662103 (403.1778, 62682.37)(404.1809, 13168.51)(405.1791, 5096.73)(425.1605, 4397.76)(426.1649, 1393.03) 1 402.1705 402.1705@1.2662103 + 356.1659@1.269211 1.269211 (713.3382, 70488.95)(714.3413, 31247.98)(715.34, 13755.17)(716.3419, 4109.86)(735.3205, 123418.75)(736.3235, 49152.82)(737.3227, 21781.69)(738.324, 6170.0)(739.3236, 1849.93)(357.1732, 8075233.5)(358.1758, 1375920.1)(359.1739, 403863.44)(360.1749, 79374.61)(361.1761, 10766.76)(362.187, 1037.85)(379.1549, 393294.84)(380.1579, 82215.73) 1 356.1659 356.1659@1.269211 + 510.229@1.2702113 1.2702113 (511.2359, 6493.49)(512.241, 2853.53)(533.2202, 1081.37) 1 510.229 510.229@1.2702113 + 530.1823@1.2712116 1.2712116 (531.1896, 2013.13) 1 530.1823 530.1823@1.2712116 + 308.1843@1.2712116 1.2712116 (309.1944, 6068.14)(326.2176, 34855.34)(327.2216, 5894.45) 1 308.1843 308.1843@1.2712116 + 445.248@1.2080898 1.2080898 (446.25568, 2710.245) 2 445.248 445.248@1.2080898 + 354.1502@1.2792135 1.2792135 (355.1574, 44265.78)(356.161, 10331.13) 1 354.1502 354.1502@1.2792135 + 664.3252@1.2812141 1.2812141 (665.3325, 3164.33)(666.3383, 1149.17) 1 664.3252 664.3252@1.2812141 + 607.3155@1.3042198 1.3042198 (608.3228, 2604.74)(609.3249, 1069.32) 1 607.3155 607.3155@1.3042198 + 370.1454@1.30522 1.30522 (371.1525, 4186.71)(372.1564, 1697.17)(388.1822, 599.71) 1 370.1454 370.1454@1.30522 + 400.1536@1.309221 1.309221 (401.1609, 2350.08) 1 400.1536 400.1536@1.309221 + 396.1552@1.3182232 1.3182232 (397.1625, 4422.44)(398.1741, 1301.8)(399.1692, 684.4) 1 396.1552 396.1552@1.3182232 + 752.323@1.3242248 1.3242248 (753.3303, 2305.12)(754.3376, 1111.29) 1 752.323 752.323@1.3242248 + 288.1028@1.3322269 1.3322269 (289.1101, 7331.5)(290.1185, 1008.77) 1 288.1028 288.1028@1.3322269 + 312.1758@1.3402289 1.3402289 (313.1831, 53031.34)(314.1866, 10587.19)(315.1818, 4553.23)(335.1648, 4557.05)(336.17, 1349.74)(337.1614, 1451.52) 1 312.1758 312.1758@1.3402289 + 427.2831@1.3581367 1.3581367 (428.28702, 2006.44)(429.29416, 856.1817)(450.2719, 986.42) 6 427.2831 427.2831@1.3581367 + 392.1641@1.3422294 1.3422294 (393.1714, 1923.93)(394.1729, 735.08) 1 392.1641 392.1641@1.3422294 + 621.3329@1.3472307 1.3472307 (622.3402, 5075.33)(623.3446, 1810.74)(624.3411, 895.9) 1 621.3329 621.3329@1.3472307 + 750.308@1.3602339 1.3602339 (751.3153, 5113.12)(752.3186, 2044.66) 1 750.308 750.308@1.3602339 + 492.1144@1.3682361 1.3682361 (493.1217, 2298.1)(494.125, 1050.03) 1 492.1144 492.1144@1.3682361 + 607.3161@1.3702365 1.3702365 (608.3234, 4501.69)(609.3269, 1772.75) 1 607.3161 607.3161@1.3702365 + 364.1728@1.3712368 1.3712368 (365.1801, 1960.06)(366.1814, 687.07)(367.1695, 1219.02) 1 364.1728 364.1728@1.3712368 + 251.1807@1.3163952 1.3163952 (252.188, 7608.4297)(269.2113, 10776.68) 2 251.1807 251.1807@1.3163952 + 497.0931@1.3822396 1.3822396 (498.1004, 1800.37) 1 497.0931 497.0931@1.3822396 + 328.1708@1.3852403 1.3852403 (329.1781, 4411.61)(330.1841, 1462.02) 1 328.1708 328.1708@1.3852403 + 589.4505@1.3882412 1.3882412 (590.4578, 2585.03)(591.4628, 1040.36) 1 589.4505 589.4505@1.3882412 + 593.3008@1.4002441 1.4002441 (594.308, 2796.99)(595.3122, 1050.84) 1 593.3008 593.3008@1.4002441 + 712.3314@1.4002441 1.4002441 (713.3385, 43189.52)(714.3417, 18192.12)(715.3405, 8207.95)(716.3423, 2243.35)(735.3207, 102586.31)(736.3238, 42559.96)(737.323, 17881.38)(738.3234, 5584.01) 1 712.3314 712.3314@1.4002441 + 445.2475@1.4012445 1.4012445 (446.2547, 2301.43)(447.2669, 1074.18) 1 445.2475 445.2475@1.4012445 + 312.1807@1.4202493 1.4202493 (313.188, 4424.48)(314.1904, 858.96)(315.1818, 1169.2) 1 312.1807 312.1807@1.4202493 + 525.2216@1.4212496 1.4212496 (526.2289, 8948.96)(527.2324, 2954.66)(528.2459, 1307.0) 1 525.2216 525.2216@1.4212496 + 268.0737@1.4232501 1.4232501 (269.0817, 4033.26)(291.0615, 2287.32) 1 268.0737 268.0737@1.4232501 + 750.3081@1.4272512 1.4272512 (751.3154, 3343.7)(752.3189, 1424.23) 1 750.3081 750.3081@1.4272512 + 287.1737@1.4275591 1.4275591 (288.1808, 5937.835)(289.1801, 1817.5549) 2 287.1737 287.1737@1.4275591 + 430.2138@1.434253 1.434253 (431.2203, 3267.66)(432.2251, 1441.33)(413.2111, 5121.08)(414.2148, 1778.8) 1 430.2138 430.2138@1.434253 + 354.1501@1.434253 1.434253 (355.1574, 542856.4)(356.1605, 108673.74) 1 354.1501 354.1501@1.434253 + 710.3155@1.4352531 1.4352531 (711.3226, 2848.22)(712.3263, 1409.75)(733.3049, 5333.31)(734.308, 2378.83) 1 710.3155 710.3155@1.4352531 + 148.0868@1.4352531 1.4352531 (297.1784, 1411.86)(319.163, 3451.42)(320.1683, 1283.86)(321.1647, 2600.42)(149.0943, 2294.26) 1 148.0868 148.0868@1.4352531 + 376.1317@1.4392543 1.4392543 (377.139, 21008.4)(378.143, 4296.72) 1 376.1317 376.1317@1.4392543 + 367.2192@1.4443485 1.4443485 (368.22668, 3169.093)(369.22708, 1286.8934) 3 367.2192 367.2192@1.4443485 + 306.1442@1.4733521 1.4733521 (307.15192, 3942.86)(308.1577, 1200.83)(289.1378, 962.6) 2 306.1442 306.1442@1.4733521 + 280.1862@1.5052716 1.5052716 (281.1927, 2474.13)(298.2205, 3711.27) 1 280.1862 280.1862@1.5052716 + 750.3085@1.5102729 1.5102729 (751.3158, 2087.28)(752.3206, 777.32) 1 750.3085 750.3085@1.5102729 + 620.2407@1.5112731 1.5112731 (621.2479, 4478.3)(622.2526, 1856.25) 1 620.2407 620.2407@1.5112731 + 732.2981@1.5132737 1.5132737 (733.3054, 3340.62)(734.308, 1333.16) 1 732.2981 732.2981@1.5132737 + 477.2388@1.5152742 1.5152742 (478.246, 2930.2)(479.2504, 998.47) 1 477.2388 477.2388@1.5152742 + 544.2241@1.518275 1.518275 (545.2313, 1106.17)(546.2373, 691.97) 1 544.2241 544.2241@1.518275 + 738.5313@1.5884807 1.5884807 (739.5384, 2726.8198)(740.54, 1175.5)(761.5181, 3149.89)(762.5206, 1447.22) 2 738.5313 738.5313@1.5884807 + 565.2683@1.5262771 1.5262771 (566.2755, 2133.32) 1 565.2683 565.2683@1.5262771 + 298.0489@1.5342792 1.5342792 (299.0562, 4757.15)(300.0614, 764.79) 1 298.0489 298.0489@1.5342792 + 244.1141@1.5482829 1.5482829 (245.1214, 24586.39)(246.1251, 4113.22) 1 244.1141 244.1141@1.5482829 + 430.2097@1.552284 1.552284 (431.2184, 1525.49)(453.1967, 1669.5)(454.2006, 944.68) 1 430.2097 430.2097@1.552284 + 209.1406@1.5507311 1.5507311 (210.14755, 10003.565)(211.14693, 2115.702)(192.1352, 859.16) 5 209.1406 209.1406@1.5507311 + 709.2227@1.5559685 1.5559685 (710.2299, 3323.48)(711.2338, 1666.1768)(712.2359, 686.94) 4 709.2227 709.2227@1.5559685 + 318.1135@1.5542846 1.5542846 (319.1206, 28732.37)(320.1244, 5932.83)(341.1049, 1936.64) 1 318.1135 318.1135@1.5542846 + 338.1137@1.5552847 1.5552847 (339.121, 1689.83)(340.1173, 615.52) 1 338.1137 338.1137@1.5552847 + 220.0849@1.556285 1.556285 (221.0922, 9916.04)(222.0982, 1805.39) 1 220.0849 220.0849@1.556285 + 548.2179@1.5693092 1.5693092 (549.2238, 940.99)(571.20703, 5449.6436)(572.21014, 1670.2733)(573.21216, 819.175) 3 548.2179 548.2179@1.5693092 + 384.1233@1.5702888 1.5702888 (385.1333, 1635.81)(367.1179, 2104.58)(368.1258, 734.84) 1 384.1233 384.1233@1.5702888 + 353.1274@1.5762904 1.5762904 (354.1351, 2063.99)(376.1164, 3060.13) 1 353.1274 353.1274@1.5762904 + 618.1964@1.5787683 1.5787683 (619.2033, 2965.499)(620.2066, 1095.5067) 9 618.1964 618.1964@1.5787683 + 559.1438@1.5792912 1.5792912 (560.1511, 1907.31) 1 559.1438 559.1438@1.5792912 + 114.0871@1.5802915 1.5802915 (115.0944, 20292.8)(116.0984, 1141.0) 1 114.0871 114.0871@1.5802915 + 317.1657@1.5899765 1.5899765 (318.1728, 2234.86)(300.1626, 4755.3) 2 317.1657 317.1657@1.5899765 + 275.1554@1.6002969 1.6002969 (276.1627, 16029.22)(277.165, 3625.32) 1 275.1554 275.1554@1.6002969 + 288.1506@1.6072986 1.6072986 (289.1578, 87157.55)(290.1613, 14822.84) 1 288.1506 288.1506@1.6072986 + 58.0527@1.608299 1.608299 (59.06, 19263.29)(60.0631, 1162.4) 1 58.0527 58.0527@1.608299 + 230.0979@1.6112996 1.6112996 (483.1844, 336593.8)(484.1873, 86324.59)(485.1843, 40056.37)(486.1858, 9040.03)(487.1871, 1482.34)(231.1051, 1.0409663E7)(232.1085, 1317600.2)(233.1032, 488740.16)(234.1057, 60991.82)(235.1069, 6300.57)(253.0871, 280491.03) 1 230.0979 230.0979@1.6112996 + 212.0871@1.6123 1.6123 (213.0944, 91273.59)(214.0973, 11107.76) 1 212.0871 212.0871@1.6123 + 148.0883@1.6133003 1.6133003 (149.0956, 6153.89)(150.0999, 835.53) 1 148.0883 148.0883@1.6133003 + 681.1859@1.6143005 1.6143005 (682.1932, 1945.85) 1 681.1859 681.1859@1.6143005 + 355.1806@1.6153008 1.6153008 (356.1878, 22831.9)(378.1703, 6398.89) 1 355.1806 355.1806@1.6153008 + 84.0575@1.6193018 1.6193018 (85.0648, 3851.28) 1 84.0575 84.0575@1.6193018 + 608.245@1.6203022 1.6203022 (609.2523, 55636.48)(610.2555, 17630.04)(611.253, 7916.01) 1 608.245 608.245@1.6203022 + 276.158@1.6333057 1.6333057 (277.1653, 3939.0)(278.1588, 1660.32) 1 276.158 276.158@1.6333057 + 734.3133@1.6513106 1.6513106 (735.3206, 20328.71)(736.324, 7881.99)(737.3223, 3465.49) 1 734.3133 734.3133@1.6513106 + 253.0827@1.6633137 1.6633137 (254.09, 46333.97)(255.0849, 17016.85) 1 253.0827 253.0827@1.6633137 + 275.1552@1.6703156 1.6703156 (276.1625, 18128.43)(277.1653, 3161.11)(278.162, 1452.97) 1 275.1552 275.1552@1.6703156 + 148.0883@1.6733164 1.6733164 (149.0956, 5562.84)(150.1, 762.05) 1 148.0883 148.0883@1.6733164 + 166.0993@1.6733164 1.6733164 (167.1066, 555310.5)(168.1101, 73927.83)(169.1123, 5505.24) 1 166.0993 166.0993@1.6733164 + 212.087@1.6743168 1.6743168 (213.0943, 82994.2)(214.0978, 10245.16) 1 212.087 212.087@1.6743168 + 230.0979@1.6675779 1.6675779 (483.1845, 357538.97)(484.1874, 92419.69)(485.1838, 40927.78)(486.1853, 8519.13)(231.1051, 3432964.8)(232.1086, 407724.4)(233.10359, 173995.0)(234.1076, 29358.295)(235.1125, 12221.97)(253.08784, 9673.08)(254.0912, 1611.48)(255.0846, 988.99) 3 230.0979 230.0979@1.6675779 + 184.0922@1.6763172 1.6763172 (185.0994, 25864.04)(186.1033, 2379.71)(187.0959, 1081.44) 1 184.0922 184.0922@1.6763172 + 608.2451@1.6783178 1.6783178 (609.2524, 54094.36)(610.2554, 18304.69)(611.253, 8287.66) 1 608.2451 608.2451@1.6783178 + 402.1709@1.716328 1.716328 (403.1781, 2445.77) 1 402.1709 402.1709@1.716328 + 355.1808@1.7203292 1.7203292 (356.1881, 37914.09)(378.1701, 9490.01) 1 355.1808 355.1808@1.7203292 + 125.0837@1.7223297 1.7223297 (126.0909, 16906.97)(127.0924, 1712.22) 1 125.0837 125.0837@1.7223297 + 377.1311@1.7253305 1.7253305 (378.1392, 5140.5)(400.1187, 4534.51)(401.1228, 1045.62) 1 377.1311 377.1311@1.7253305 + 292.1156@1.7215304 1.7215304 (293.12387, 1975.1167)(294.1283, 908.52)(310.1476, 6852.17)(311.1505, 2113.73)(312.1553, 935.3)(315.1044, 9370.805)(316.1141, 1419.9299)(317.1087, 864.16) 3 292.1156 292.1156@1.7215304 + 240.0513@1.7373338 1.7373338 (241.0585, 15840.71)(242.0642, 3532.38) 1 240.0513 240.0513@1.7373338 + 478.2134@1.7403346 1.7403346 (479.2207, 17353.71)(480.2242, 5085.39)(481.2252, 2052.69) 1 478.2134 478.2134@1.7403346 + 216.083@1.7413349 1.7413349 (217.0903, 12920.81)(218.0936, 1894.14) 1 216.083 216.083@1.7413349 + 528.2365@1.7443357 1.7443357 (529.2438, 4077.62)(530.2476, 1291.27)(531.251, 1656.96)(532.2534, 327.33) 1 528.2365 528.2365@1.7443357 + 494.2084@1.7453359 1.7453359 (495.2157, 6737.45)(496.2204, 2365.49)(497.2236, 1019.13) 1 494.2084 494.2084@1.7453359 + 274.1238@1.7523378 1.7523378 (275.1311, 11618.97)(276.1353, 2392.63) 1 274.1238 274.1238@1.7523378 + 117.0788@1.7621704 1.7621704 (118.08601, 22889.156)(119.08913, 1904.9619) 5 117.0788 117.0788@1.7621704 + 314.1164@1.7773446 1.7773446 (315.1275, 906.02)(297.1128, 5794.23)(298.1177, 828.26)(299.1103, 5970.58)(300.115, 826.83) 1 314.1164 314.1164@1.7773446 + 327.2138@1.8013512 1.8013512 (328.2211, 2469.35)(329.2196, 980.78) 1 327.2138 327.2138@1.8013512 + 274.124@1.8013512 1.8013512 (275.1312, 16966.36)(276.1353, 2342.3) 1 274.124 274.124@1.8013512 + 782.5834@1.8107742 1.8107742 (783.59045, 2038.1571)(784.5915, 1094.2415)(785.5958, 622.57996) 7 782.5834 782.5834@1.8107742 + 787.5377@1.8091375 1.8091375 (788.5456, 1799.5767)(789.55524, 976.76) 6 787.5377 787.5377@1.8091375 + 873.4752@1.8296899 1.8296899 (874.4827, 1126.8566)(875.4856, 941.63) 3 873.4752 873.4752@1.8296899 + 228.082@1.8493 1.8493 (229.0864, 5954.625)(230.0955, 1406.97) 2 228.082 228.082@1.8493 + 768.5673@1.8423623 1.8423623 (769.5745, 1115.0)(770.5789, 725.35) 1 768.5673 768.5673@1.8423623 + 495.2663@1.8423623 1.8423623 (496.2736, 1112.0)(497.2778, 876.48) 1 495.2663 495.2663@1.8423623 + 1027.5759@1.8446405 1.8446405 (1028.5823, 1207.165)(1029.5867, 784.95) 2 1027.5759 1027.5759@1.8446405 + 457.1771@1.8515742 1.8515742 (458.18445, 2959.9102)(459.18787, 1025.0701) 2 457.1771 457.1771@1.8515742 + 164.0838@1.8493642 1.8493642 (165.0911, 66774.48)(166.0944, 8419.62) 1 164.0838 164.0838@1.8493642 + 372.2147@1.856366 1.856366 (373.2225, 2683.91)(395.2003, 833.92) 1 372.2147 372.2147@1.856366 + 114.043@1.8622398 1.8622398 (115.050186, 9573.463)(97.0399, 2457.7) 5 114.043 114.043@1.8622398 + 428.1995@1.8633682 1.8633682 (429.2068, 1746.05) 1 428.1995 428.1995@1.8633682 + 819.4413@1.8665603 1.8665603 (820.44867, 1729.1699)(821.4507, 1115.0233)(842.431, 968.13)(843.4349, 669.26) 3 819.4413 819.4413@1.8665603 + 735.5127@1.8713703 1.8713703 (736.5186, 2629.54)(737.5218, 1357.81)(753.5484, 1201.1) 1 735.5127 735.5127@1.8713703 + 895.5702@1.875772 1.875772 (896.5781, 1660.605)(897.58075, 1218.49)(918.5589, 2802.695)(919.5619, 1681.4099)(920.56244, 954.5) 2 895.5702 895.5702@1.875772 + 943.4793@1.8751577 1.8751577 (944.48627, 1361.4332)(945.48926, 965.6633)(946.4957, 960.87) 3 943.4793 943.4793@1.8751577 + 740.5359@1.8895451 1.8895451 (741.5433, 1858.2601)(742.5484, 1017.46497) 3 740.5359 740.5359@1.8895451 + 202.1007@1.8994346 1.8994346 (203.10823, 7728.6597)(204.11195, 1249.3165)(205.096, 442.53) 8 202.1007 202.1007@1.8994346 + 745.4929@1.9012773 1.9012773 (746.5001, 1876.52)(747.50385, 990.77) 2 745.4929 745.4929@1.9012773 + 523.2272@1.914382 1.914382 (524.2345, 1191.19) 1 523.2272 523.2272@1.914382 + 734.3128@1.9253849 1.9253849 (735.32, 5380.96)(736.3236, 1960.34)(737.3238, 443.61) 1 734.3128 734.3128@1.9253849 + 596.2165@1.9333872 1.9333872 (597.2238, 1301.23)(598.2283, 1163.83) 1 596.2165 596.2165@1.9333872 + 537.2371@1.9373883 1.9373883 (538.2444, 1739.56)(539.2471, 602.72) 1 537.2371 537.2371@1.9373883 + 248.1087@1.9859291 1.9859291 (249.11552, 11843.76)(250.1176, 3232.9365)(251.1213, 2583.75)(231.1077, 1592.64)(271.09943, 2778.2822)(272.1059, 1003.26996)(273.099, 657.55) 10 248.1087 248.1087@1.9859291 + 244.1316@1.984401 1.984401 (245.1388, 2931.04)(227.129, 3508.76)(267.1205, 8193.9)(268.1238, 1625.75)(269.1278, 846.69) 1 244.1316 244.1316@1.984401 + 208.11@1.9894024 1.9894024 (209.1172, 5009.06)(210.1182, 1971.53) 1 208.11 208.11@1.9894024 + 295.2098@1.9894028 1.9894028 (296.21753, 2657.5498)(297.21686, 903.385)(298.2228, 647.89) 2 295.2098 295.2098@1.9894028 + 384.1608@2.0524197 2.0524197 (385.1681, 6837.98)(386.1715, 1694.0)(387.174, 822.76) 1 384.1608 384.1608@2.0524197 + 734.313@2.1214383 2.1214383 (735.3203, 1783.83)(736.3198, 1054.51) 1 734.313 734.313@2.1214383 + 414.2185@2.1424437 2.1424437 (415.2258, 22894.6)(416.2312, 7578.24)(417.2288, 2447.41) 1 414.2185 414.2185@2.1424437 + 712.33@2.1454446 2.1454446 (713.3372, 1339.16) 1 712.33 712.33@2.1454446 + 141.0172@2.184455 2.184455 (142.0256, 922.91)(159.0505, 2238.1) 1 141.0172 141.0172@2.184455 + 227.1519@2.3344946 2.3344946 (228.1592, 5875.13)(229.1624, 1001.85) 1 227.1519 227.1519@2.3344946 + 318.1659@2.3945098 2.3945098 (319.1732, 2081.41) 1 318.1659 318.1659@2.3945098 + 246.0925@2.4175158 2.4175158 (247.0998, 81157.67)(248.1031, 11173.3)(249.0988, 4326.1)(250.101, 334.39) 1 246.0925 246.0925@2.4175158 + 188.0507@2.418516 2.418516 (189.058, 30584.6)(190.0618, 3274.54)(191.0553, 1736.76) 1 188.0507 188.0507@2.418516 + 457.4125@2.4765306 2.4765306 (458.4198, 2659.74) 1 457.4125 457.4125@2.4765306 + 186.1367@2.479365 2.479365 (187.14409, 5458.5566)(188.1449, 848.63) 3 186.1367 186.1367@2.479365 + 732.5435@2.5175407 2.5175407 (733.5508, 1299.07) 1 732.5435 732.5435@2.5175407 + 335.0455@2.5558093 2.5558093 (336.05283, 1196.6934) 3 335.0455 335.0455@2.5558093 + 297.1125@2.665576 2.665576 (298.1197, 4327.88) 1 297.1125 297.1125@2.665576 + 372.1601@2.7385924 2.7385924 (373.1674, 17079.32)(374.1715, 4255.84)(375.1689, 1367.84) 1 372.1601 372.1601@2.7385924 + 457.4126@2.7720222 2.7720222 (458.4203, 1932.44)(459.4219, 857.56) 2 457.4126 457.4126@2.7720222 + 302.0827@2.8316128 2.8316128 (303.09, 5598.6)(304.0931, 1302.8) 1 302.0827 302.0827@2.8316128 + 347.176@2.8009956 2.8009956 (348.18344, 4251.7104)(349.18628, 1166.2966)(350.1798, 1070.55) 3 347.176 347.176@2.8009956 + 699.3096@2.8386142 2.8386142 (700.3169, 1780.7)(701.323, 1046.45) 1 699.3096 699.3096@2.8386142 + 144.0422@2.7811718 2.7811718 (145.0494, 45810.258)(146.05333, 3690.0046)(147.0554, 481.03)(127.0389, 21761.17)(128.04214, 1957.1101)(129.03696, 755.695)(162.07614, 11594.659) 10 144.0422 144.0422@2.7811718 + 300.066@2.8726213 2.8726213 (301.0732, 2056.25) 1 300.066 300.066@2.8726213 + 340.2097@2.8851001 2.8851001 (341.21692, 1998.605)(342.2173, 1316.94)(343.2083, 831.25)(358.2435, 19335.07)(359.2458, 4528.87) 2 340.2097 340.2097@2.8851001 + 404.1538@2.938925 2.938925 (405.1605, 3150.0469)(406.1626, 1195.5533) 3 404.1538 404.1538@2.938925 + 431.0252@2.9702845 2.9702845 (432.03256, 3076.8135)(433.035, 982.5401)(454.01315, 1028.24) 6 431.0252 431.0252@2.9702845 + 407.1085@2.9195223 2.9195223 (408.11584, 3183.6433)(390.1052, 23202.08) 3 407.1085 407.1085@2.9195223 + 157.0743@2.9782875 2.9782875 (158.08151, 6646.032)(159.08398, 1134.826)(160.07574, 751.1) 5 157.0743 157.0743@2.9782875 + 425.1189@2.9804788 2.9804788 (426.127, 1311.9299)(408.1155, 4308.33) 4 425.1189 425.1189@2.9804788 + 302.0684@2.9916449 2.9916449 (303.0757, 1938.47)(304.0737, 756.71) 1 302.0684 302.0684@2.9916449 + 619.0756@3.0016468 3.0016468 (620.0829, 918.08) 1 619.0756 619.0756@3.0016468 + 623.2619@3.1546738 3.1546738 (624.2692, 4108.86)(625.2734, 1331.68) 1 623.2619 623.2619@3.1546738 + 371.0705@3.1610262 3.1610262 (372.0778, 4203.36)(373.0797, 1027.2217)(374.0779, 996.05) 7 371.0705 371.0705@3.1610262 + 513.1976@3.1826444 3.1826444 (514.20465, 4509.0205)(515.2036, 2616.0098)(516.2058, 3320.82) 5 513.1976 513.1976@3.1826444 + 125.0839@3.1976807 3.1976807 (126.0911, 10742.68)(127.0869, 1402.03) 1 125.0839 125.0839@3.1976807 + 396.0519@3.1986809 3.1986809 (397.0592, 963.87) 1 396.0519 396.0519@3.1986809 + 274.0878@3.245688 3.245688 (275.095, 3823.39)(276.0971, 987.49) 1 274.0878 274.0878@3.245688 + 344.1654@3.2636907 3.2636907 (345.1726, 24299.06)(346.1765, 5178.69)(347.1741, 1853.9)(367.1549, 5982.11)(368.1573, 1197.92) 1 344.1654 344.1654@3.2636907 + 326.1549@3.266691 3.266691 (327.1622, 13282.95)(328.1663, 2776.34)(329.1607, 1035.26) 1 326.1549 326.1549@3.266691 + 175.0635@3.338053 3.338053 (176.07133, 3897.08)(177.07114, 708.385)(193.0971, 19984.906) 3 175.0635 175.0635@3.338053 + 380.1747@3.4697163 3.4697163 (381.182, 4263.79)(382.188, 1155.0)(383.1705, 721.47) 1 380.1747 380.1747@3.4697163 + 388.1561@3.497719 3.497719 (389.1633, 4371.68)(390.1652, 1149.89)(411.1455, 1774.56) 1 388.1561 388.1561@3.497719 + 389.2411@3.5037196 3.5037196 (390.2484, 2265.6) 1 389.2411 389.2411@3.5037196 + 394.1967@3.5325897 3.5325897 (395.20425, 2345.3267)(396.20874, 641.145)(417.18558, 2753.3867)(418.18994, 834.57) 3 394.1967 394.1967@3.5325897 + 419.347@3.617538 3.617538 (420.35458, 5441.166)(421.35773, 1406.9486)(422.3585, 758.09) 8 419.347 419.347@3.617538 + 877.128@3.6551518 3.6551518 (878.13367, 1058.455) 2 877.128 877.128@3.6551518 + 494.2085@3.6647322 3.6647322 (495.2158, 1911.06) 1 494.2085 494.2085@3.6647322 + 207.0647@3.7147348 3.7147348 (208.0719, 1470.78) 1 207.0647 207.0647@3.7147348 + 581.2403@3.720735 3.720735 (582.2476, 1714.26)(583.2525, 846.67) 1 581.2403 581.2403@3.720735 + 403.2566@3.7688565 3.7688565 (404.26392, 3921.7803)(405.2671, 1011.60333)(406.2601, 791.55) 4 403.2566 403.2566@3.7688565 + 488.2297@3.7787373 3.7787373 (489.237, 11504.15)(490.2402, 2812.82)(491.2409, 855.05) 1 488.2297 488.2297@3.7787373 + 723.0176@3.8513932 3.8513932 (724.02625, 988.32007) 2 723.0176 723.0176@3.8513932 + 605.4394@3.7870243 3.7870243 (606.44653, 1621.6666)(607.4507, 679.35) 3 605.4394 605.4394@3.7870243 + 490.0308@4.0329356 4.0329356 (491.03772, 2695.585)(513.02075, 1550.3401) 4 490.0308 490.0308@4.0329356 + 744.5355@4.0457363 4.0457363 (745.5427, 1133.74)(746.5587, 587.99) 1 744.5355 744.5355@4.0457363 + 462.335@4.0007825 4.0007825 (463.3434, 2054.5044)(464.35782, 516.7734)(465.3288, 1456.19) 9 462.335 462.335@4.0007825 + 367.3077@4.0956454 4.0956454 (368.31403, 1094.1699) 2 367.3077 367.3077@4.0956454 + 393.2895@4.1117325 4.1117325 (394.2968, 3688.68)(395.2989, 1272.25) 1 393.2895 393.2895@4.1117325 + 327.2411@4.0771294 4.0771294 (328.24774, 2587.0552)(329.25336, 919.445) 2 327.2411 327.2411@4.0771294 + 620.2396@4.136731 4.136731 (621.2469, 2364.48)(622.2509, 1113.13) 1 620.2396 620.2396@4.136731 + 523.3842@4.139731 4.139731 (524.3915, 2801.5)(525.3818, 1139.14) 1 523.3842 523.3842@4.139731 + 341.2547@4.22585 4.22585 (342.26157, 5827.6772)(343.2649, 1434.04) 3 341.2547 341.2547@4.22585 + 599.2509@4.2167244 4.2167244 (600.2582, 6546.8)(601.2608, 2505.27)(602.2632, 752.03) 1 599.2509 599.2509@4.2167244 + 708.4991@4.2397223 4.2397223 (709.5064, 1488.6) 1 708.4991 708.4991@4.2397223 + 583.2555@4.304715 4.304715 (584.2628, 3309.56)(585.2678, 1183.98) 1 583.2555 583.2555@4.304715 + 469.2245@4.367707 4.367707 (470.2318, 14791.58)(471.2349, 4383.19)(472.2362, 1104.54) 1 469.2245 469.2245@4.367707 + 321.2682@4.3897033 4.3897033 (322.2755, 2309.55) 1 321.2682 321.2682@4.3897033 + 297.2664@4.410475 4.410475 (298.27356, 2902.4)(299.2766, 1330.75) 2 297.2664 297.2664@4.410475 + 356.3471@4.343873 4.343873 (357.35364, 1120.335) 2 356.3471 356.3471@4.343873 + 215.2528@4.404701 4.404701 (216.2601, 1154.49) 1 215.2528 215.2528@4.404701 + 307.2526@4.4097004 4.4097004 (308.2599, 3388.51)(309.2612, 1014.82) 1 307.2526 307.2526@4.4097004 + 278.2358@4.4382887 4.4382887 (279.24252, 2663.3884)(280.2418, 895.5267) 6 278.2358 278.2358@4.4382887 + 397.2482@4.455908 4.455908 (398.2547, 2143.495)(399.25903, 418.935) 8 397.2482 397.2482@4.455908 + 770.6641@4.465081 4.465081 (771.67236, 1605.2476)(772.6754, 1058.5549) 4 770.6641 770.6641@4.465081 + 225.1521@4.4566927 4.4566927 (226.1594, 4155.36)(227.1683, 1455.79) 1 225.1521 225.1521@4.4566927 + 312.1797@4.47269 4.47269 (313.187, 2803.92)(314.1923, 990.3) 1 312.1797 312.1797@4.47269 + 335.2823@4.4746895 4.4746895 (336.2896, 14440.21)(337.2925, 3737.82)(338.294, 956.74) 1 335.2823 335.2823@4.4746895 + 200.0667@4.4986854 4.4986854 (201.074, 2531.47) 1 200.0667 200.0667@4.4986854 + 225.1366@4.5296793 4.5296793 (226.1439, 7177.52)(227.1465, 1360.36) 1 225.1366 225.1366@4.5296793 + 312.176@4.534678 4.534678 (313.1833, 6016.24)(314.1862, 1523.36) 1 312.176 312.176@4.534678 + 561.7221@4.576069 4.576069 (562.7302, 1270.7) 2 561.7221 561.7221@4.576069 + 904.5068@4.632349 4.632349 (905.51373, 2314.4924)(906.5181, 1136.4125)(907.52997, 4469.76)(908.5381, 3150.95) 4 904.5068 904.5068@4.632349 + 929.5975@4.6226597 4.6226597 (930.6047, 1033.54) 1 929.5975 929.5975@4.6226597 + 960.6052@4.633622 4.633622 (961.6123, 1334.3514)(962.6092, 841.9717) 7 960.6052 960.6052@4.633622 + 430.2133@4.624659 4.624659 (431.2206, 3910.05)(432.2274, 1191.18) 1 430.2133 430.2133@4.624659 + 315.241@4.626459 4.626459 (316.24783, 2336.38)(317.25095, 740.75) 4 315.241 315.241@4.626459 + 210.1022@4.6446543 4.6446543 (211.1094, 4494.75)(212.1173, 1173.86) 1 210.1022 210.1022@4.6446543 + 173.1415@4.6472564 4.6472564 (174.14871, 6360.225)(175.14995, 1010.28) 2 173.1415 173.1415@4.6472564 + 337.2612@4.677646 4.677646 (338.2685, 17749.13)(339.2729, 6145.91)(340.2693, 1202.47) 1 337.2612 337.2612@4.677646 + 113.0838@4.709397 4.709397 (114.091034, 25445.682)(115.09194, 2179.4365)(131.1194, 963.29) 3 113.0838 113.0838@4.709397 + 797.5342@4.776491 4.776491 (798.53503, 1806.35)(799.537, 1069.31) 2 797.5342 797.5342@4.776491 + 567.3801@4.6862235 4.6862235 (568.3869, 4775.8833)(569.3886, 1744.9233) 3 567.3801 567.3801@4.6862235 + 811.5126@4.7592106 4.7592106 (812.5186, 4700.585)(813.5223, 3231.65)(794.5045, 1199.37)(795.5068, 927.6)(834.5022, 3495.39) 2 811.5126 811.5126@4.7592106 + 270.1579@4.7576246 4.7576246 (271.1652, 2772.65)(272.1784, 595.07) 1 270.1579 270.1579@4.7576246 + 835.5154@4.7578197 4.7578197 (836.5266, 3015.43)(837.52747, 1389.31)(838.5458, 810.87) 2 835.5154 835.5154@4.7578197 + 819.5761@4.7652016 4.7652016 (820.58264, 1591.065)(821.57916, 1093.425)(842.5671, 1475.69) 2 819.5761 819.5761@4.7652016 + 801.4715@4.774093 4.774093 (802.47894, 1970.3633)(803.48926, 1097.8267)(804.4899, 1299.14)(805.4914, 521.92004)(806.5171, 874.35) 3 801.4715 801.4715@4.774093 + 292.1525@4.7926145 4.7926145 (293.1598, 1507.91) 1 292.1525 292.1525@4.7926145 + 637.9657@4.8396006 4.8396006 (638.973, 4479.08)(639.9611, 797.23) 1 637.9657 637.9657@4.8396006 + 788.5469@4.910577 4.910577 (789.5541, 781.13)(790.5576, 528.28) 1 788.5469 788.5469@4.910577 + 179.1309@5.0115404 5.0115404 (180.1381, 9283.51)(181.1397, 1132.58) 1 179.1309 179.1309@5.0115404 + 697.9275@5.049525 5.049525 (698.9348, 1030.75) 1 697.9275 697.9275@5.049525 + 397.1921@5.0775137 5.0775137 (398.1993, 3259.93)(399.2029, 1030.24) 1 397.1921 397.1921@5.0775137 + 301.2078@5.162966 5.162966 (302.21478, 6389.187)(303.21814, 1333.8)(304.21487, 1096.1) 9 301.2078 301.2078@5.162966 + 426.3811@5.372373 5.372373 (427.3888, 2117.73)(449.3696, 1679.41)(450.3715, 998.84) 1 426.3811 426.3811@5.372373 + 883.5959@5.387365 5.387365 (884.6032, 1524.66)(885.612, 889.84)(886.6111, 1472.17) 1 883.5959 883.5959@5.387365 + 953.4991@5.381432 5.381432 (954.5022, 896.4475)(955.51666, 654.13)(956.5128, 2033.87)(957.5183, 1017.74)(958.5247, 814.22) 4 953.4991 953.4991@5.381432 + 927.5454@5.407224 5.407224 (928.54675, 2036.278)(929.5496, 1234.095)(930.5693, 2324.59)(950.5331, 1035.03)(951.5372, 811.24) 5 927.5454 927.5454@5.407224 + 800.5349@5.391073 5.391073 (801.54456, 3468.1199) 2 800.5349 800.5349@5.391073 + 856.0754@5.3983583 5.3983583 (857.0827, 1363.05) 1 856.0754 856.0754@5.3983583 + 1278.3304@5.416789 5.416789 (1279.3323, 1505.1901)(1280.3376, 1354.1499)(1281.3354, 1090.325) 2 1278.3304 1278.3304@5.416789 + 1278.8324@5.409566 5.409566 (1279.8391, 1402.82)(1280.8376, 1020.515)(1281.8304, 832.94) 2 1278.8324 1278.8324@5.409566 + 1249.3383@5.4284844 5.4284844 (1250.3362, 1302.5566)(1251.3359, 1985.69)(1232.3354, 16830.84)(1272.3239, 760.42)(1273.3204, 803.2)(1274.328, 1063.03) 3 1249.3383 1249.3383@5.4284844 + 933.5215@5.429929 5.429929 (934.5287, 6287.4165)(935.5355, 3825.498)(936.55133, 2597.3232)(937.5603, 398.52)(956.513, 1667.165)(957.51794, 1144.5449)(958.5271, 841.74) 5 933.5215 933.5215@5.429929 + 1661.1285@5.421925 5.421925 (1662.1324, 2601.7898)(1663.1357, 2371.428)(1664.1353, 1351.3566)(1684.1001, 813.74) 5 1661.1285 1661.1285@5.421925 + 1661.6295@5.4123507 5.4123507 (1662.6367, 987.77)(1663.6298, 962.59)(1664.6183, 934.49) 1 1661.6295 1661.6295@5.4123507 + 846.5468@5.423816 5.423816 (847.5514, 21523.037) 5 846.5468 846.5468@5.423816 + 247.1603@5.427701 5.427701 (248.1678, 3137.5713)(249.17075, 984.505) 8 247.1603 247.1603@5.427701 + 1650.1311@5.4352164 5.4352164 (1651.1309, 1367.6167)(1652.1237, 1245.9933)(1653.1226, 1122.8666)(1654.118, 1312.06)(1655.1226, 775.82) 3 1650.1311 1650.1311@5.4352164 + 1266.3342@5.434497 5.434497 (1267.3357, 1358.6826)(1268.3354, 1243.66)(1269.3383, 1033.0625)(1249.335, 1606.51)(1250.337, 1563.09)(1251.3362, 1595.81) 4 1266.3342 1266.3342@5.434497 + 1232.3359@5.432691 5.432691 (1233.3417, 5519.78)(1234.347, 4403.0933)(1235.3511, 3618.73) 3 1232.3359 1232.3359@5.432691 + 1678.109@5.43134 5.43134 (1679.1163, 1300.15)(1680.1205, 1210.72)(1681.1198, 1036.22) 1 1678.109 1678.109@5.43134 + 1637.131@5.4370666 5.4370666 (1638.1375, 4585.04)(1639.1425, 4069.499)(1640.1522, 4489.231)(1641.1576, 4029.7576)(1642.1622, 3131.2268)(1643.1592, 1753.4366)(1644.1489, 1798.775)(1660.1224, 1140.69)(1661.1235, 1166.35)(1662.1349, 2765.84)(1663.1407, 2211.77)(1664.1434, 2021.01)(1665.141, 1437.97) 10 1637.131 1637.131@5.4370666 + 1238.8304@5.462028 5.462028 (1239.8356, 1447.805)(1240.8341, 1436.1749)(1241.8328, 1578.62)(1242.8348, 1513.43)(1261.8268, 832.67)(1262.8347, 821.67)(1263.8336, 723.77) 4 1238.8304 1238.8304@5.462028 + 843.0665@5.455105 5.455105 (844.0737, 2308.335)(845.0835, 2169.09)(846.089, 1559.29)(866.0525, 731.84) 2 843.0665 843.0665@5.455105 + 792.5789@5.4562435 5.4562435 (793.58325, 24396.305) 2 792.5789 792.5789@5.4562435 + 856.077@5.446331 5.446331 (857.0843, 1363.95)(858.0827, 838.26) 1 856.077 856.077@5.446331 + 1280.3342@5.446331 5.446331 (1281.3416, 805.27)(1282.3451, 669.26)(1283.3453, 716.23) 1 1280.3342 1280.3342@5.446331 + 1235.8584@5.4658594 5.4658594 (1236.863, 1771.89)(1237.8535, 1025.51)(1238.8374, 1032.735) 2 1235.8584 1235.8584@5.4658594 + 1254.8297@5.450802 5.450802 (1255.8387, 1611.8672)(1256.8424, 1119.49)(1257.8401, 1109.55)(1258.83, 673.87) 7 1254.8297 1254.8297@5.450802 + 1612.6245@5.461722 5.461722 (1613.6316, 2128.8818)(1614.6392, 1876.3499)(1615.6401, 1398.585)(1616.6461, 1379.07)(1635.6198, 935.65) 5 1612.6245 1612.6245@5.461722 + 1199.8297@5.478089 5.478089 (1200.8396, 1382.3375)(1201.8394, 1271.3425)(1202.8394, 1196.4175)(1203.8445, 1402.98)(1182.8242, 2563.4) 4 1199.8297 1199.8297@5.478089 + 826.5898@5.471065 5.471065 (827.5993, 8142.4297) 3 826.5898 826.5898@5.471065 + 1181.3177@5.472682 5.472682 (1182.3246, 1732.4381) 5 1181.3177 1181.3177@5.472682 + 811.6028@5.513974 5.513974 (812.6099, 140485.72)(813.6166, 41577.72)(814.6209, 19309.92)(794.5995, 39308.4)(795.6051, 15695.436)(796.5845, 48841.74)(797.5874, 24035.39)(798.5749, 19660.76) 4 811.6028 811.6028@5.513974 + 778.0417@5.4723163 5.4723163 (1574.1216, 1628.18)(1575.1228, 1717.43)(779.0457, 1730.56) 1 778.0417 778.0417@5.4723163 + 713.5127@5.4803114 5.4803114 (714.52, 1708.98)(715.5283, 867.21) 1 713.5127 713.5127@5.4803114 + 1187.829@5.4992013 5.4992013 (1188.8359, 1646.3018)(1189.8401, 1430.4958)(1190.8375, 1122.9119)(1170.8254, 1693.105) 6 1187.829 1187.829@5.4992013 + 877.5329@5.484588 5.484588 (878.54034, 44250.707)(879.54315, 25008.512)(880.5592, 18569.715)(881.5642, 6099.23)(900.52325, 10504.14)(901.5285, 5584.596) 6 877.5329 877.5329@5.484588 + 1191.833@5.4999733 5.4999733 (1192.8364, 1692.675)(1193.8373, 2870.36)(1194.8451, 1856.93) 4 1191.833 1191.833@5.4999733 + 1535.0875@5.51238 5.51238 (1536.0939, 1522.8624)(1537.0969, 1456.6476)(1538.1104, 14341.055) 4 1535.0875 1535.0875@5.51238 + 1612.6077@5.5412736 5.5412736 (1613.615, 1525.38) 1 1612.6077 1612.6077@5.5412736 + 1246.3369@5.543273 5.543273 (1247.3442, 2221.93)(1248.3533, 2931.79)(1249.3578, 1927.71) 1 1246.3369 1246.3369@5.543273 + 1221.8354@5.574098 5.574098 (1222.8434, 3429.0066)(1223.8495, 1863.35)(1224.8518, 1143.975)(1239.8665, 896.26)(1240.8566, 680.15)(1241.862, 710.43) 3 1221.8354 1221.8354@5.574098 + 1662.1174@5.5645785 5.5645785 (1663.124, 1344.5793)(1664.1288, 1495.9761)(1665.133, 1210.5663)(1666.1381, 387.40332)(1685.1067, 2513.31)(1686.1106, 2693.335)(1687.1157, 2194.5)(1688.1211, 1663.04) 14 1662.1174 1662.1174@5.5645785 + 1346.8499@5.5581903 5.5581903 (1347.8555, 1644.905) 2 1346.8499 1346.8499@5.5581903 + 1284.345@5.572946 5.572946 (1285.35, 2094.59)(1286.3562, 1299.0433)(1307.3334, 2060.265)(1308.3408, 1303.2)(1309.3474, 1267.51) 3 1284.345 1284.345@5.572946 + 1664.1285@5.50721 5.50721 (1665.1425, 1286.415)(1666.1454, 999.91)(1667.1467, 720.77) 2 1664.1285 1664.1285@5.50721 + 1279.6007@5.5732536 5.5732536 (1280.6079, 1623.5)(1281.6089, 1192.31)(1282.6152, 1123.68) 1 1279.6007 1279.6007@5.5732536 + 1297.8525@5.5817857 5.5817857 (1298.8602, 1739.5967)(1299.8643, 1569.5967)(1320.8438, 1431.31)(1321.8492, 1478.71)(1322.8574, 766.49) 3 1297.8525 1297.8525@5.5817857 + 1360.8641@5.5865526 5.5865526 (1361.8708, 1310.9751)(1362.8702, 1079.68) 2 1360.8641 1360.8641@5.5865526 + 967.5674@5.5711265 5.5711265 (968.5724, 1876.6111)(969.5703, 1230.58)(990.5584, 953.24664)(991.5426, 944.46) 9 967.5674 967.5674@5.5711265 + 1235.8492@5.58582 5.58582 (1236.8573, 3308.4058)(1237.8608, 1956.7534)(1238.8627, 1098.3234) 7 1235.8492 1235.8492@5.58582 + 1256.8298@5.5992365 5.5992365 (1257.8372, 1427.17)(1258.8424, 1056.89) 1 1256.8298 1256.8298@5.5992365 + 764.5801@5.608402 5.608402 (765.5888, 1817.5234)(766.5925, 1831.99)(767.5722, 1250.24) 3 764.5801 764.5801@5.608402 + 1158.3247@5.6141534 5.6141534 (1159.3322, 3486.6726)(1160.3367, 5030.158)(1161.3423, 2838.198)(1162.3501, 892.165) 11 1158.3247 1158.3247@5.6141534 + 743.5787@5.6052327 5.6052327 (744.586, 13242.34)(745.5892, 6132.7) 1 743.5787 743.5787@5.6052327 + 1184.3383@5.606232 5.606232 (1185.3455, 1228.48) 1 1184.3383 1184.3383@5.606232 + 1685.1027@5.586805 5.586805 (1686.1106, 1663.8)(1687.1172, 1402.7749)(1688.1227, 1115.3624) 4 1685.1027 1685.1027@5.586805 + 1319.3347@5.5950937 5.5950937 (1320.3422, 1212.428)(1321.3481, 1291.473)(1322.3518, 986.18445)(1323.3624, 880.88)(1324.3682, 695.44) 10 1319.3347 1319.3347@5.5950937 + 1237.3558@5.6082306 5.6082306 (1238.3632, 1111.0)(1239.3662, 911.81)(1240.3588, 805.2) 1 1237.3558 1237.3558@5.6082306 + 1245.8387@5.5954313 5.5954313 (1246.844, 2271.2393)(1247.8488, 2791.2966)(1248.8529, 1927.7241)(1249.8643, 825.16)(1263.8732, 873.45245)(1264.8815, 979.095) 20 1245.8387 1245.8387@5.5954313 + 1319.8367@5.603737 5.603737 (1320.8448, 1501.7816)(1321.8491, 1377.2)(1322.8567, 1012.7133)(1323.8679, 1162.3) 6 1319.8367 1319.8367@5.603737 + 793.0531@5.625041 5.625041 (794.06104, 1767.665) 2 793.0531 793.0531@5.625041 + 1185.344@5.5711265 5.5711265 (1186.3519, 4747.0913)(1187.3569, 4310.68)(1188.358, 1714.0234) 10 1185.344 1185.344@5.5711265 + 789.036@5.615898 5.615898 (790.04974, 896.30664)(791.0732, 786.29)(807.0686, 2975.385)(808.0753, 3271.6) 3 789.036 789.036@5.615898 + 818.6323@5.6145554 5.6145554 (819.63824, 39480.16)(820.6386, 11700.464)(821.6374, 1330.61) 3 818.6323 818.6323@5.6145554 + 893.6665@5.621222 5.621222 (894.6738, 1473.42) 1 893.6665 893.6665@5.621222 + 1043.1923@5.623221 5.623221 (1044.1995, 1321.13) 1 1043.1923 1043.1923@5.623221 + 563.2422@5.623221 5.623221 (564.2495, 1421.22) 1 563.2422 563.2422@5.623221 + 770.0614@5.6302266 5.6302266 (1541.127, 4824.82)(771.06915, 2832.0667)(772.07556, 1391.946) 6 770.0614 770.0614@5.6302266 + 1446.4772@5.6272182 5.6272182 (1447.4845, 1605.1)(1448.4897, 1384.89)(1449.4944, 1292.49) 1 1446.4772 1446.4772@5.6272182 + 780.5478@5.598563 5.598563 (781.5553, 143577.69)(782.566, 73177.74) 2 780.5478 780.5478@5.598563 + 1459.986@5.628217 5.628217 (1460.9933, 1192.49)(1461.9963, 1246.37)(1463.0107, 1159.44) 1 1459.986 1459.986@5.628217 + 1160.3358@5.6284394 5.6284394 (1161.343, 3705.1616)(1162.3503, 1785.636)(1163.3573, 1091.8966) 5 1160.3358 1160.3358@5.6284394 + 807.068@5.627515 5.627515 (808.07513, 3489.6943)(809.0869, 972.93) 9 807.068 807.068@5.627515 + 1449.4954@5.6342134 5.6342134 (1450.5027, 1380.94)(1451.5127, 910.47) 1 1449.4954 1449.4954@5.6342134 + 1329.8315@5.635213 5.635213 (1330.8387, 1547.73)(1331.8474, 1881.96)(1332.8489, 1539.31) 1 1329.8315 1329.8315@5.635213 + 923.5184@5.6362123 5.6362123 (924.5256, 995.31) 1 923.5184 923.5184@5.6362123 + 1309.8622@5.6412086 5.6412086 (1310.8695, 2413.12) 1 1309.8622 1309.8622@5.6412086 + 1424.486@5.6462054 5.6462054 (1425.4933, 1149.98)(1426.5022, 848.04) 1 1424.486 1424.486@5.6462054 + 1045.7102@5.656199 5.656199 (1046.7175, 1382.63)(1047.7239, 935.3) 1 1045.7102 1045.7102@5.656199 + 747.5714@5.657198 5.657198 (748.5787, 1908.31)(749.5837, 940.73) 1 747.5714 747.5714@5.657198 + 881.5725@5.657198 5.657198 (882.5798, 1107.25)(883.5795, 685.25) 1 881.5725 881.5725@5.657198 + 1199.8625@5.6399302 5.6399302 (1200.8707, 2125.1433)(1201.8754, 1756.81)(1202.8771, 910.97) 3 1199.8625 1199.8625@5.6399302 + 890.539@5.6604204 5.6604204 (891.54785, 2346.2798)(892.5487, 1961.86)(893.5583, 3226.14)(894.5655, 1875.81)(895.5679, 642.12) 2 890.539 890.539@5.6604204 + 931.5537@5.6681905 5.6681905 (932.561, 1001.24) 1 931.5537 931.5537@5.6681905 + 849.5487@5.6733437 5.6733437 (850.5577, 9164.175)(851.5597, 4004.396)(852.553, 1560.0701) 6 849.5487 849.5487@5.6733437 + 881.5063@5.7185345 5.7185345 (882.5137, 1106.665)(883.5211, 1106.65) 2 881.5063 881.5063@5.7185345 + 795.5685@5.6881766 5.6881766 (796.5758, 13460.97)(797.5985, 4633.55) 1 795.5685 795.5685@5.6881766 + 898.5722@5.6921735 5.6921735 (899.582, 895.03)(881.5671, 1632.0)(882.5733, 1026.38) 1 898.5722 898.5722@5.6921735 + 923.5168@5.6842327 5.6842327 (924.5224, 1178.375)(925.5263, 1054.39) 2 923.5168 923.5168@5.6842327 + 1212.8654@5.68644 5.68644 (1213.8723, 1013.0775)(1214.8779, 1016.4033)(1235.8567, 1208.5024)(1236.8595, 987.00995)(1237.8644, 1216.9701)(1238.8676, 912.04) 4 1212.8654 1212.8654@5.68644 + 773.5871@5.720154 5.720154 (774.5944, 9848.29)(775.5974, 4006.5)(776.6006, 1063.74) 1 773.5871 773.5871@5.720154 + 783.4822@5.7183557 5.7183557 (784.48975, 1574.9299)(785.4944, 764.08) 2 783.4822 783.4822@5.7183557 + 367.2721@5.7463923 5.7463923 (368.27936, 4518.515)(369.2823, 1269.14) 2 367.2721 367.2721@5.7463923 + 796.6158@5.77038 5.77038 (797.61816, 1881.6499)(798.62665, 1444.425) 2 796.6158 796.6158@5.77038 + 863.0562@5.834593 5.834593 (864.064, 2467.71)(865.06946, 937.45) 2 863.0562 863.0562@5.834593 + 828.0651@5.8336015 5.8336015 (829.06586, 1778.2327)(851.0547, 1133.59) 7 828.0651 828.0651@5.8336015 + 909.5539@5.8160825 5.8160825 (910.5612, 2214.27)(911.5679, 1512.47)(912.5697, 204.72) 1 909.5539 909.5539@5.8160825 + 514.2998@5.823077 5.823077 (515.307, 1383.0) 1 514.2998 514.2998@5.823077 + 946.5644@5.8026547 5.8026547 (947.56177, 2050.19)(948.5801, 916.95996) 4 946.5644 946.5644@5.8026547 + 678.0878@5.8249273 5.8249273 (679.0947, 2181.452)(680.0975, 756.4133) 5 678.0878 678.0878@5.8249273 + 661.836@5.8320704 5.8320704 (662.8433, 1242.76) 1 661.836 661.836@5.8320704 + 810.0856@5.850056 5.850056 (811.0929, 2722.14) 1 810.0856 810.0856@5.850056 + 964.5476@5.8344088 5.8344088 (965.5469, 1502.5013)(966.5439, 798.7217)(967.5394, 542.39)(947.5465, 6763.57)(948.5405, 4867.12)(949.5431, 1918.18) 7 964.5476 964.5476@5.8344088 + 923.5416@5.853196 5.853196 (924.54443, 2498.4949)(925.5407, 1601.5349) 2 923.5416 923.5416@5.853196 + 253.1103@5.9122066 5.9122066 (254.11757, 3430.3418)(255.12071, 842.4275) 6 253.1103 253.1103@5.9122066 + 913.6055@5.915856 5.915856 (914.61707, 1383.4327)(915.61554, 593.43335)(916.6099, 1057.11) 7 913.6055 913.6055@5.915856 + 373.803@5.9150043 5.9150043 (374.8103, 1027.99) 1 373.803 373.803@5.9150043 + 394.1216@5.9339886 5.9339886 (395.1289, 3733.56)(396.1325, 853.87) 1 394.1216 394.1216@5.9339886 + 883.5127@5.959091 5.959091 (884.5159, 4892.437)(885.51263, 3172.7415)(886.5373, 4271.8896)(866.5118, 5451.92)(867.5143, 3460.56)(868.5248, 5852.9)(906.5009, 2792.2126)(907.5041, 1550.585)(908.5219, 2851.01) 6 883.5127 883.5127@5.959091 + 1004.5735@5.943985 5.943985 (1005.581, 1398.6768)(1006.5826, 895.16)(1007.5935, 3101.82)(1008.5968, 1473.12)(1009.5985, 1516.41) 3 1004.5735 1004.5735@5.943985 + 727.4164@5.9589357 5.9589357 (728.4241, 2254.575)(729.4323, 1553.57) 2 727.4164 727.4164@5.9589357 + 911.5376@5.951567 5.951567 (912.53564, 2831.7668)(913.5345, 1500.8866)(914.53796, 2760.2202)(915.5445, 1864.4434) 6 911.5376 911.5376@5.951567 + 831.571@5.884968 5.884968 (832.5799, 1726.1638)(833.5822, 939.1221)(834.595, 3564.7966)(835.59814, 1411.09)(836.61017, 2833.185)(837.6118, 1471.83) 5 831.571 831.571@5.884968 + 757.5618@5.9559703 5.9559703 (758.5691, 32734.0)(759.5726, 16132.2)(780.5508, 7227.41)(781.5554, 3904.42) 1 757.5618 757.5618@5.9559703 + 802.5541@5.939325 5.939325 (803.564, 1637.134)(804.56195, 1365.445)(805.5685, 753.77) 5 802.5541 802.5541@5.939325 + 357.2874@5.9555135 5.9555135 (358.29456, 2123.8867)(359.29886, 797.7067) 6 357.2874 357.2874@5.9555135 + 701.3947@5.960976 5.960976 (702.4055, 1130.005)(703.4087, 573.84) 2 701.3947 701.3947@5.960976 + 803.0547@5.9589024 5.9589024 (804.0625, 1505.13)(805.0681, 840.85) 2 803.0547 803.0547@5.9589024 + 794.5677@5.968101 5.968101 (795.5751, 2235.68) 7 794.5677 794.5677@5.968101 + 970.7226@5.993938 5.993938 (971.7298, 820.61)(972.732, 733.95) 1 970.7226 970.7226@5.993938 + 146.1101@6.096474 6.096474 (147.11725, 5915.645) 2 146.1101 146.1101@6.096474 + 244.1734@6.096846 6.096846 (245.1806, 2490.32) 1 244.1734 244.1734@6.096846 + 342.2593@6.1572647 6.1572647 (343.2662, 1592.3134) 3 342.2593 342.2593@6.1572647 + 827.5477@6.1697774 6.1697774 (828.5549, 673.04)(829.5408, 559.27)(830.5525, 770.07) 1 827.5477 827.5477@6.1697774 + 833.5906@6.1707764 6.1707764 (834.5979, 1752.4)(835.599, 907.23)(836.6127, 2596.35)(837.6162, 1156.52)(838.6257, 635.37) 1 833.5906 833.5906@6.1707764 + 767.578@6.174388 6.174388 (768.5862, 1095.995)(769.5924, 1015.9) 2 767.578 767.578@6.174388 + 907.5191@6.1177044 6.1177044 (908.5319, 2916.8164)(909.53644, 1558.9668)(910.5395, 2273.77)(911.5444, 1480.3999)(912.5542, 2025.72)(913.5591, 909.21) 3 907.5191 907.5191@6.1177044 + 821.5852@6.197105 6.197105 (822.59393, 1386.32)(823.59796, 946.338) 6 821.5852 821.5852@6.197105 + 867.5248@6.1464615 6.1464615 (868.53204, 1923.9332)(869.5373, 1127.7032)(870.5451, 1150.02)(871.5511, 1275.76)(890.5123, 1711.96)(891.5166, 1929.78)(892.5298, 3227.49) 3 867.5248 867.5248@6.1464615 + 981.6232@6.1732273 6.1732273 (982.63104, 2247.9133)(983.6107, 2156.9302)(984.60815, 1309.23) 3 981.6232 981.6232@6.1732273 + 463.3305@6.303061 6.303061 (464.33954, 2350.585)(465.34073, 880.99) 4 463.3305 463.3305@6.303061 + 846.6638@6.317629 6.317629 (847.6711, 650.49)(848.6631, 652.79) 1 846.6638 846.6638@6.317629 + 325.2248@6.331259 6.331259 (326.2322, 2188.86)(327.24075, 742.74) 3 325.2248 325.2248@6.331259 + 859.5921@6.351593 6.351593 (860.5993, 1250.82) 1 859.5921 859.5921@6.351593 + 437.3135@6.3614683 6.3614683 (438.3207, 2287.8262)(439.32446, 927.08)(440.3338, 1586.04) 5 437.3135 437.3135@6.3614683 + 457.3396@6.414791 6.414791 (458.3456, 1068.375)(440.33655, 5010.535)(441.3385, 1826.64) 2 457.3396 457.3396@6.414791 + 297.1937@6.476714 6.476714 (298.2009, 5726.17)(299.2067, 1374.9824)(300.20255, 1689.26) 5 297.1937 297.1937@6.476714 + 677.4259@6.486443 6.486443 (678.4331, 1260.94)(679.4291, 1106.08) 1 677.4259 677.4259@6.486443 + 637.429@6.557914 6.557914 (638.43933, 16271.939)(639.44104, 5867.754)(640.4406, 5585.94)(641.4409, 907.65)(660.4171, 9158.3)(661.423, 3568.59) 5 637.429 637.429@6.557914 + 273.1033@6.5983105 6.5983105 (274.1106, 1230.52) 1 273.1033 273.1033@6.5983105 + 283.1784@6.602305 6.602305 (284.1857, 3799.8848)(285.18768, 1172.29) 2 283.1784 283.1784@6.602305 + 709.3744@6.6439133 6.6439133 (710.38257, 1575.385)(711.3905, 1005.41504) 2 709.3744 709.3744@6.6439133 + 779.5433@6.64762 6.64762 (780.55084, 1431.65)(781.5536, 856.275)(782.56683, 3026.7349)(783.5687, 1610.95)(784.57983, 1345.7151) 2 779.5433 779.5433@6.64762 + 719.5787@6.6503735 6.6503735 (720.58624, 1680.865) 2 719.5787 719.5787@6.6503735 + 738.5164@6.6526284 6.6526284 (739.52374, 1257.7383)(740.53357, 919.645)(741.5345, 1845.6151)(742.5418, 788.9067)(743.5532, 107.03)(756.5498, 1680.69)(757.55774, 922.19495) 6 738.5164 738.5164@6.6526284 + 835.6054@6.6542416 6.6542416 (836.6127, 1601.98)(837.6166, 1127.01) 1 835.6054 835.6054@6.6542416 + 827.4287@6.660151 6.660151 (828.44257, 961.855)(829.45416, 756.04504) 2 827.4287 827.4287@6.660151 + 696.4072@6.658236 6.658236 (697.4145, 2770.08)(698.4175, 1375.21) 1 696.4072 696.4072@6.658236 + 633.9398@6.66431 6.66431 (634.9466, 1634.3398)(635.9546, 1254.6234)(636.9569, 763.0) 6 633.9398 633.9398@6.66431 + 745.4481@6.665906 6.665906 (746.45386, 4058.7424)(747.45984, 2040.395)(748.4401, 1786.36)(768.4312, 651.02) 4 745.4481 745.4481@6.665906 + 599.3222@6.67122 6.67122 (600.3295, 8833.37)(601.3333, 3155.27) 1 599.3222 599.3222@6.67122 + 634.4602@6.689197 6.689197 (635.4675, 1854.28)(636.476, 1085.22)(637.4703, 827.7) 1 634.4602 634.4602@6.689197 + 601.2725@6.6970387 6.6970387 (602.28033, 1740.6699)(603.2964, 938.58997) 2 601.2725 601.2725@6.6970387 + 647.2725@6.652489 6.652489 (648.2804, 1708.5172)(649.2819, 1007.76)(650.28076, 1126.275) 7 647.2725 647.2725@6.652489 + 892.5954@6.7021422 6.7021422 (893.6014, 1805.1809)(894.6067, 1263.2101)(895.6212, 1113.4)(910.6344, 692.36) 10 892.5954 892.5954@6.7021422 + 1221.8975@6.704842 6.704842 (1222.9012, 894.53)(1223.9009, 560.05)(1244.8867, 1958.075)(1245.8899, 1446.51)(1246.8976, 800.73) 2 1221.8975 1221.8975@6.704842 + 329.2197@6.7100177 6.7100177 (330.22736, 1970.3085)(331.23, 1316.295) 6 329.2197 329.2197@6.7100177 + 853.9651@6.7093005 6.7093005 (854.9705, 1155.0499)(855.98517, 1017.37335)(856.9857, 1197.09)(871.9984, 1489.88) 3 853.9651 853.9651@6.7093005 + 832.4994@6.7436094 6.7436094 (833.50525, 1211.09)(834.5028, 1187.95)(815.4944, 4636.8)(855.4905, 914.4) 2 832.4994 832.4994@6.7436094 + 1077.625@6.752494 6.752494 (1078.6418, 3733.38)(1079.6554, 5915.42)(1080.6675, 4712.12)(1095.6594, 2768.01)(1096.6671, 1971.29)(1097.6573, 5056.67)(1098.6605, 4373.83)(1099.6733, 2926.48) 2 1077.625 1077.625@6.752494 + 1118.164@6.726559 6.726559 (1119.1711, 1148.495)(1120.1699, 1208.2151)(1121.1753, 1041.825)(1136.198, 885.53) 2 1118.164 1118.164@6.726559 + 838.997@6.7622285 6.7622285 (840.0091, 2997.2117)(841.01526, 3145.4849) 6 838.997 838.997@6.7622285 + 829.01@6.72515 6.72515 (830.0172, 5156.32)(831.0214, 2014.29)(832.0259, 1157.07) 1 829.01 829.01@6.72515 + 1075.7532@6.7336516 6.7336516 (1076.7628, 3101.6467)(1077.7662, 2136.96) 3 1075.7532 1075.7532@6.7336516 + 1055.6993@6.765087 6.765087 (1056.703, 10113.466)(1057.6954, 5005.0234)(1058.6885, 3664.145)(1073.737, 4930.25)(1074.7393, 2079.93)(1075.761, 3259.53) 3 1055.6993 1055.6993@6.765087 + 817.012@6.7415442 6.7415442 (818.01917, 19277.47)(819.0241, 11229.381)(820.0311, 4558.315)(821.0378, 1713.93) 2 817.012 817.012@6.7415442 + 1331.393@6.755111 6.755111 (1332.4001, 14905.99)(1333.4023, 2709.17) 1 1331.393 1331.393@6.755111 + 1358.3539@6.758222 6.758222 (1359.3628, 1727.48)(1360.37, 1856.3833)(1361.3694, 1592.6134) 3 1358.3539 1358.3539@6.758222 + 1589.5482@6.7613177 6.7613177 (1590.5536, 2406.3267)(1591.5621, 2669.6501)(1592.5695, 4218.92)(1593.5757, 2674.2)(1594.5771, 1657.28) 3 1589.5482 1589.5482@6.7613177 + 1099.6818@6.7730875 6.7730875 (1100.689, 1863.82) 1 1099.6818 1099.6818@6.7730875 + 870.5048@6.776083 6.776083 (871.5121, 3064.44)(872.5072, 1383.23) 1 870.5048 870.5048@6.776083 + 327.1612@6.7790794 6.7790794 (328.1685, 58988.95)(329.1714, 9955.47)(330.1678, 3238.73)(350.151, 7289.76) 1 327.1612 327.1612@6.7790794 + 1031.696@6.7800345 6.7800345 (1032.7034, 4639.71)(1054.6886, 9088.81) 10 1031.696 1031.696@6.7800345 + 576.3303@6.804226 6.804226 (577.3353, 9749.125)(578.3433, 6863.1)(579.348, 3578.27) 2 576.3303 576.3303@6.804226 + 1508.4796@6.831502 6.831502 (1509.4867, 13674.85)(1510.4893, 7057.87)(1511.4912, 1777.12) 2 1508.4796 1508.4796@6.831502 + 1021.6306@6.8357863 6.8357863 (1022.6446, 2282.9133)(1023.6476, 1842.59)(1024.6469, 2809.92)(1039.6628, 9361.09) 3 1021.6306 1021.6306@6.8357863 + 777.4822@6.850981 6.850981 (778.4895, 10768.57)(779.4928, 2356.66)(780.5007, 2636.91) 1 777.4822 777.4822@6.850981 + 1034.6309@6.8529787 6.8529787 (1035.6381, 6854.9)(1036.6395, 4111.48) 1 1034.6309 1034.6309@6.8529787 + 581.4145@6.8622217 6.8622217 (582.42236, 2571.26)(583.425, 1456.35) 2 581.4145 581.4145@6.8622217 + 543.3298@6.8625593 6.8625593 (544.3363, 5794.79)(545.3393, 2478.12) 2 543.3298 543.3298@6.8625593 + 291.1509@6.8809395 6.8809395 (292.1582, 2306.55) 1 291.1509 291.1509@6.8809395 + 169.0717@6.889382 6.889382 (170.07912, 3956.235)(171.0788, 935.1667) 4 169.0717 169.0717@6.889382 + 475.2702@6.8977475 6.8977475 (476.27734, 3359.9402)(477.2896, 1799.15) 3 475.2702 475.2702@6.8977475 + 191.0951@6.9030447 6.9030447 (192.1023, 3889.13) 2 191.0951 191.0951@6.9030447 + 343.2021@6.9059043 6.9059043 (344.2093, 9397.06)(345.2118, 1745.25) 1 343.2021 343.2021@6.9059043 + 561.3397@7.0554757 7.0554757 (562.3449, 2219.6267)(563.3461, 915.88)(544.3314, 579.16) 3 561.3397 561.3397@7.0554757 + 511.3267@7.0926566 7.0926566 (512.3341, 9901.699)(513.3361, 2431.4824)(514.339, 1023.73) 4 511.3267 511.3267@7.0926566 + 191.0949@7.1470046 7.1470046 (192.10223, 3868.8782)(193.10214, 992.0775) 6 191.0949 191.0949@7.1470046 + 1044.6342@7.1605196 7.1605196 (1045.6414, 1705.75)(1046.643, 1000.77) 1 1044.6342 1044.6342@7.1605196 + 434.2762@7.162516 7.162516 (435.2835, 1677.48) 1 434.2762 434.2762@7.162516 + 618.0341@7.162516 7.162516 (619.0414, 943.43)(620.0398, 675.74) 1 618.0341 618.0341@7.162516 + 529.8228@7.6038284 7.6038284 (530.8299, 2036.3357)(531.834, 587.43) 7 529.8228 529.8228@7.6038284 + 147.107@9.008205 9.008205 (148.1143, 2743.17)(149.1177, 966.92) 1 147.107 147.107@9.008205 + 144.0899@11.240053 11.240053 (145.09708, 5375.748)(167.07909, 1877.2125) 5 144.0899 144.0899@11.240053 + 363.3344@0.8845064 0.8845064 (364.3417, 3267.61)(365.3365, 772.13) 1 363.3344 363.3344@0.8845064 + 816.0764@0.8845612 0.8845612 (817.08435, 1591.95)(818.0877, 726.05) 2 816.0764 816.0764@0.8845612 + 395.9837@0.88877195 0.88877195 (396.99112, 1323.6232) 3 395.9837 395.9837@0.88877195 + 376.9897@0.8863127 0.8863127 (377.99716, 1589.5668) 3 376.9897 376.9897@0.8863127 + 261.9531@0.9714278 0.9714278 (262.9604, 981.74) 1 261.9531 261.9531@0.9714278 + 559.4629@1.0043963 1.0043963 (560.4702, 5794.95)(561.4725, 2923.14) 1 559.4629 559.4629@1.0043963 + 772.2656@1.0095155 1.0095155 (773.2738, 3830.85) 2 772.2656 772.2656@1.0095155 + 773.2477@1.0095632 1.0095632 (774.25555, 11500.794)(775.2556, 8141.1216)(776.23364, 87293.19) 6 773.2477 773.2477@1.0095632 + 890.2653@1.0149707 1.0149707 (891.2662, 1438.9366)(873.26587, 5508.6396)(874.26764, 4610.895)(875.26624, 4102.605)(876.2671, 1825.34)(913.24695, 4597.0303)(914.2422, 1890.2051)(915.2314, 1111.58) 3 890.2653 890.2653@1.0149707 + 751.626@1.0123886 1.0123886 (752.6333, 1209.91)(753.6522, 1081.79) 1 751.626 751.626@1.0123886 + 630.4856@1.0273739 1.0273739 (631.4929, 1343.0) 1 630.4856 630.4856@1.0273739 + 657.5837@1.028373 1.028373 (658.5909, 2062.67)(659.5937, 787.24) 1 657.5837 657.5837@1.028373 + 652.1198@1.031085 1.031085 (653.13007, 1509.34) 2 652.1198 652.1198@1.031085 + 578.1038@1.034985 1.034985 (579.1141, 2454.4001)(580.113, 1469.5099)(581.10535, 1322.355) 3 578.1038 578.1038@1.034985 + 641.5925@1.0483531 1.0483531 (642.5998, 2852.42)(643.6025, 1348.94)(644.5859, 1141.63) 1 641.5925 641.5925@1.0483531 + 410.2612@1.0860478 1.0860478 (411.26672, 8488.81)(428.2973, 3041.25) 2 410.2612 410.2612@1.0860478 + 56.0624@1.0479796 1.0479796 (113.13229, 3824.0474)(57.069477, 1794.3699) 4 56.0624 56.0624@1.0479796 + 1289.6215@1.0498801 1.0498801 (1290.6284, 123882.48)(1291.6321, 105709.26)(1292.6346, 35034.402)(1293.6294, 10906.282)(1294.6243, 2836.9402) 4 1289.6215 1289.6215@1.0498801 + 563.1742@1.052349 1.052349 (564.1814, 1602.36) 1 563.1742 563.1742@1.052349 + 661.5844@1.0546564 1.0546564 (662.5907, 1678.4967) 3 661.5844 661.5844@1.0546564 + 604.3145@1.0593419 1.0593419 (605.3218, 2050.01)(606.3285, 1478.2) 1 604.3145 604.3145@1.0593419 + 737.652@1.0633345 1.0633345 (738.66034, 1914.99)(739.66315, 1077.63)(740.6756, 5996.4453)(741.67737, 2898.595)(742.6762, 931.63) 2 737.652 737.652@1.0633345 + 703.4732@1.06134 1.06134 (704.4805, 1789.46) 1 703.4732 703.4732@1.06134 + 604.4643@1.061586 1.061586 (605.4737, 2656.9675)(622.5015, 1934.84)(627.4569, 2152.08) 4 604.4643 604.4643@1.061586 + 466.3969@1.062339 1.062339 (467.4042, 2242.15) 1 466.3969 466.3969@1.062339 + 725.6501@1.0985656 1.0985656 (726.6579, 1304.4099)(727.6392, 1148.03) 2 725.6501 725.6501@1.0985656 + 256.203@1.064337 1.064337 (530.4378, 6652.6)(257.2119, 7529.33) 1 256.203 256.203@1.064337 + 523.3871@1.0668943 1.0668943 (524.3941, 21491.576)(525.3969, 8433.055)(526.40607, 5979.6396) 13 523.3871 523.3871@1.0668943 + 683.5307@1.0674948 1.0674948 (684.53436, 3861.7969)(685.5427, 1850.8066)(686.54736, 5349.3896)(687.5536, 1839.99)(706.5189, 2791.03) 3 683.5307 683.5307@1.0674948 + 551.4156@1.066335 1.066335 (552.4228, 3133.41) 1 551.4156 551.4156@1.066335 + 568.2443@1.067048 1.067048 (569.25183, 2255.355)(570.2578, 1172.1) 2 568.2443 568.2443@1.067048 + 1021.6571@1.0673338 1.0673338 (1022.6643, 1816.96)(1023.6707, 1327.29)(1024.676, 1512.21)(1025.6794, 931.67) 1 1021.6571 1021.6571@1.0673338 + 877.255@1.0673338 1.0673338 (878.2623, 1536.43)(879.263, 1369.24)(880.263, 875.83) 1 877.255 877.255@1.0673338 + 432.1679@1.0673338 1.0673338 (433.1752, 1039.47) 1 432.1679 432.1679@1.0673338 + 989.6468@1.0683329 1.0683329 (990.6577, 1040.65)(991.6655, 913.69)(972.6411, 1634.19)(973.6472, 1626.12)(974.6586, 1060.69) 1 989.6468 989.6468@1.0683329 + 1018.6172@1.0693319 1.0693319 (1019.6276, 1041.45)(1020.6498, 1037.03)(1021.6444, 1503.0)(1036.6488, 1625.99)(1037.6487, 1431.4)(1038.6656, 1810.38) 1 1018.6172 1018.6172@1.0693319 + 1057.6799@1.0703309 1.0703309 (1058.6897, 1580.21)(1059.6978, 892.93)(1060.6963, 847.55)(1040.6742, 1949.32)(1041.6805, 1293.58)(1042.6873, 1635.95)(1043.6958, 649.85)(1044.6976, 793.62) 1 1057.6799 1057.6799@1.0703309 + 726.4623@1.0703309 1.0703309 (727.4695, 2845.67) 1 726.4623 726.4623@1.0703309 + 216.1894@1.0703309 1.0703309 (217.1966, 1331.57) 1 216.1894 216.1894@1.0703309 + 1518.4097@1.0699543 1.0699543 (1519.417, 1671.2799)(1520.4147, 1397.3833)(1521.4116, 979.02)(1501.4052, 954.23) 3 1518.4097 1518.4097@1.0699543 + 1073.6749@1.0703309 1.0703309 (1074.6823, 1182.37)(1075.6927, 821.48)(1076.6938, 944.27) 1 1073.6749 1073.6749@1.0703309 + 1070.6674@1.0703309 1.0703309 (1071.6746, 875.27)(1072.6744, 1105.42) 1 1070.6674 1070.6674@1.0703309 + 308.2722@1.074008 1.074008 (309.2786, 2795.0552)(310.27576, 1050.63)(326.3038, 1293.61)(331.2626, 8080.29) 2 308.2722 308.2722@1.074008 + 923.7879@1.074102 1.074102 (924.79, 2047.915)(925.79565, 959.81) 2 923.7879 923.7879@1.074102 + 1085.6538@1.0723287 1.0723287 (1086.6611, 892.33)(1087.6722, 954.67)(1088.67, 655.17) 1 1085.6538 1085.6538@1.0723287 + 1002.6217@1.0733278 1.0733278 (1003.629, 1567.22)(1004.6434, 1296.92)(1005.6465, 1491.99) 1 1002.6217 1002.6217@1.0733278 + 723.4715@1.0733278 1.0733278 (724.4788, 3888.77)(725.4781, 2510.81)(726.4922, 2854.65) 1 723.4715 723.4715@1.0733278 + 1053.6534@1.0743268 1.0743268 (1054.6606, 1688.42)(1055.6655, 1147.01)(1056.6749, 1871.04) 1 1053.6534 1053.6534@1.0743268 + 998.5952@1.0743268 1.0743268 (999.6025, 828.52)(1000.6286, 566.99)(1001.6139, 1122.53) 1 998.5952 998.5952@1.0743268 + 397.3178@1.0786375 1.0786375 (398.32394, 2919.2124)(415.3545, 2549.43) 4 397.3178 397.3178@1.0786375 + 742.4743@1.0739813 1.0739813 (743.47797, 1292.5801)(744.4806, 1227.955)(745.4811, 1178.675) 2 742.4743 742.4743@1.0739813 + 490.364@1.0753257 1.0753257 (491.3713, 5624.3)(492.3765, 5184.79) 1 490.364 490.364@1.0753257 + 618.4616@1.0763247 1.0763247 (619.4689, 2350.73) 1 618.4616 618.4616@1.0763247 + 330.2604@1.0763247 1.0763247 (331.2677, 4028.14) 1 330.2604 330.2604@1.0763247 + 803.238@1.0763247 1.0763247 (804.2453, 1873.76)(805.2455, 1139.46)(806.2404, 1164.14) 1 803.238 803.238@1.0763247 + 439.3642@1.0773237 1.0773237 (896.7621, 2152.46)(897.7651, 1280.67)(898.7811, 2666.86)(899.7842, 1807.5)(900.7982, 1133.39)(440.3716, 2212.17) 1 439.3642 439.3642@1.0773237 + 495.3191@1.0793486 1.0793486 (496.32397, 3283.02)(497.3202, 2190.3198) 2 495.3191 495.3191@1.0793486 + 496.3521@1.0736188 1.0736188 (497.36072, 2834.96) 2 496.3521 496.3521@1.0736188 + 441.3102@1.0769078 1.0769078 (442.31567, 4890.1763)(443.3148, 3382.55)(459.3454, 5619.86) 3 441.3102 441.3102@1.0769078 + 668.4088@1.0783226 1.0783226 (669.4161, 5346.63)(670.4212, 3151.65)(671.4305, 5708.76) 1 668.4088 668.4088@1.0783226 + 537.3784@1.0755266 1.0755266 (538.3902, 3855.6833)(539.37634, 2456.57)(540.3881, 15071.41)(541.3916, 6052.18)(542.4045, 16344.99) 3 537.3784 537.3784@1.0755266 + 702.4146@1.0783226 1.0783226 (703.4229, 3348.82)(685.4107, 3842.85)(686.4156, 2024.56)(687.4285, 4503.43) 1 702.4146 702.4146@1.0783226 + 946.5851@1.0783226 1.0783226 (947.5924, 1046.31)(948.6042, 831.67)(949.6029, 1253.65) 1 946.5851 946.5851@1.0783226 + 578.4113@1.0803206 1.0803206 (579.4176, 2843.53)(596.4469, 3341.73)(597.4422, 2388.94)(598.4333, 4301.29)(599.4373, 3258.33)(600.445, 4554.33) 1 578.4113 578.4113@1.0803206 + 799.5257@1.0813196 1.0813196 (800.5334, 1814.32)(801.5463, 990.17)(802.555, 820.6)(782.5222, 2328.52)(783.5252, 1550.5) 1 799.5257 799.5257@1.0813196 + 815.5362@1.1113666 1.1113666 (816.5397, 953.95996)(817.5324, 846.87)(798.5329, 7453.79)(799.5365, 3633.32)(800.5376, 1730.09)(833.5632, 733.53) 2 815.5362 815.5362@1.1113666 + 212.1777@1.0772293 1.0772293 (425.36316, 2696.815)(213.184, 1614.03)(214.1834, 862.05)(215.178, 860.46)(235.16747, 4093.5833)(236.1694, 1496.405) 4 212.1777 212.1777@1.0772293 + 322.3198@1.0833175 1.0833175 (323.3267, 1266.0)(340.3545, 728.38) 1 322.3198 322.3198@1.0833175 + 739.4683@1.0843165 1.0843165 (740.4755, 2406.49)(741.4652, 1425.88)(742.4894, 2497.02) 1 739.4683 739.4683@1.0843165 + 196.1462@1.0867878 1.0867878 (393.297, 4620.63)(410.32816, 3045.7876)(197.15329, 3547.198)(198.15231, 931.47)(179.1421, 1892.2)(214.18, 1730.31)(219.1371, 1996.13) 5 196.1462 196.1462@1.0867878 + 781.7137@1.0860339 1.0860339 (782.7197, 3238.7683)(783.7214, 2123.7058)(784.7286, 1509.3) 6 781.7137 781.7137@1.0860339 + 595.4907@1.0896304 1.0896304 (596.4961, 6202.2627)(597.49896, 3112.4668)(598.4989, 2415.745) 4 595.4907 595.4907@1.0896304 + 404.3672@1.0886855 1.0886855 (809.7415, 2002.5234)(810.7535, 1864.22)(811.7194, 2412.13)(812.7137, 1679.3)(405.37463, 3643.8623)(406.3844, 1492.395)(407.3857, 655.74)(427.3559, 14450.96)(428.3541, 6363.2197) 4 404.3672 404.3672@1.0886855 + 414.3122@1.1260712 1.1260712 (415.3194, 18899.697)(416.3211, 7049.0557)(397.3088, 9179.57)(398.3124, 3712.77)(399.308, 13788.91) 8 414.3122 414.3122@1.1260712 + 641.2545@1.1018533 1.1018533 (642.2632, 1025.4) 3 641.2545 641.2545@1.1018533 + 267.2637@1.1062936 1.1062936 (268.271, 3467.77) 1 267.2637 267.2637@1.1062936 + 848.7646@1.1091247 1.1091247 (849.7718, 2070.5234)(850.77637, 1098.37) 3 848.7646 848.7646@1.1091247 + 97.9764@1.1114241 1.1114241 (98.98383, 6604.5776) 7 97.9764 97.9764@1.1114241 + 248.0587@1.113693 1.113693 (249.06589, 3868.4424)(250.06946, 1322.495) 4 248.0587 248.0587@1.113693 + 459.3541@1.117282 1.117282 (460.3614, 3434.5)(461.3625, 1776.1)(462.3444, 7655.51) 1 459.3541 459.3541@1.117282 + 533.4771@1.1238778 1.1238778 (534.4851, 1547.7776)(535.4859, 908.20337) 4 533.4771 533.4771@1.1238778 + 475.4383@1.1240119 1.1240119 (476.44482, 2254.6377)(477.4497, 1172.11)(478.4539, 1411.69) 4 475.4383 475.4383@1.1240119 + 367.2367@1.1622081 1.1622081 (735.4871, 1241.34)(368.24588, 10780.005)(369.2557, 5884.42)(390.2301, 2340.58) 4 367.2367 367.2367@1.1622081 + 492.3786@1.1101335 1.1101335 (493.38834, 5009.6367)(494.39563, 2856.3901)(510.4087, 4258.03) 3 492.3786 492.3786@1.1101335 + 447.4032@1.1262724 1.1262724 (448.412, 1727.83)(465.4334, 825.43) 1 447.4032 447.4032@1.1262724 + 408.2483@1.1274669 1.1274669 (834.5371, 730.08)(409.25565, 24137.016)(410.25653, 25708.93)(426.2854, 1385.0)(431.2424, 2093.45) 9 408.2483 408.2483@1.1274669 + 702.4266@1.1292692 1.1292692 (703.434, 1592.84)(720.4601, 1374.2) 1 702.4266 702.4266@1.1292692 + 283.181@1.130394 1.130394 (284.18634, 5699.855)(285.1779, 1959.34)(301.21594, 9456.9)(302.2259, 3418.86) 2 283.181 283.181@1.130394 + 449.4592@1.1312671 1.1312671 (450.4664, 1448.85) 1 449.4592 449.4592@1.1312671 + C30 H66 Cl N5 O2 1.1311029 [ C30 H66 Cl N5 O2, mfg=71.54, overall=71.54 ] (564.4988, 5883.334)(565.5002, 2527.1824)(566.4963, 1378.415) 16 563.4911 C30 H66 Cl N5 O2 + 367.3787@1.132266 1.132266 (368.386, 3401.49)(369.3896, 1928.67) 1 367.3787 367.3787@1.132266 + 493.4118@1.134264 1.134264 (494.4191, 4806.39)(495.4089, 3599.7)(496.4313, 4130.6) 1 493.4118 493.4118@1.134264 + 515.3461@1.134264 1.134264 (516.3534, 5518.1)(517.3555, 2641.03) 1 515.3461 515.3461@1.134264 + 624.5491@1.1784114 1.1784114 (625.5535, 979.22003)(626.5677, 859.52) 3 624.5491 624.5491@1.1784114 + 449.3152@1.1379578 1.1379578 (450.32574, 6917.41)(451.3274, 3392.66) 2 449.3152 449.3152@1.1379578 + 808.4748@1.1406432 1.1406432 (809.4824, 1309.6816)(810.4873, 992.39795)(811.4965, 807.13) 6 808.4748 808.4748@1.1406432 + 402.2402@1.1669856 1.1669856 (822.5105, 1545.08)(403.24744, 5139.31) 3 402.2402 402.2402@1.1669856 + 197.1777@1.1401986 1.1401986 (198.18494, 10622.549)(199.19067, 3007.81) 5 197.1777 197.1777@1.1401986 + 535.4558@1.144904 1.144904 (536.4638, 2838.6785)(537.46454, 1307.46) 6 535.4558 535.4558@1.144904 + 368.138@1.1428825 1.1428825 (369.1456, 5165.645)(370.1486, 1588.8) 2 368.138 368.138@1.1428825 + 108.1327@1.1465008 1.1465008 (109.14048, 1587.7776) 4 108.1327 108.1327@1.1465008 + 106.0779@1.1509125 1.1509125 (107.08519, 68403.79)(108.08827, 5641.3535) 8 106.0779 106.0779@1.1509125 + 649.4504@1.1687771 1.1687771 (650.46405, 1756.1167)(651.4802, 1564.03)(632.4465, 2820.68)(633.4548, 1621.41) 3 649.4504 649.4504@1.1687771 + 790.5191@1.1562401 1.1562401 (791.5264, 1946.41)(792.5281, 1007.01) 1 790.5191 790.5191@1.1562401 + 306.2913@1.1670882 1.1670882 (307.29868, 2993.8665) 3 306.2913 306.2913@1.1670882 + 617.4417@1.1682271 1.1682271 (618.449, 1667.55)(619.4601, 923.93) 1 617.4417 617.4417@1.1682271 + 363.3463@1.1740061 1.1740061 (364.35406, 14679.324)(365.35767, 4330.825) 2 363.3463 363.3463@1.1740061 + 446.2662@1.1772171 1.1772171 (447.2735, 15034.86)(448.2775, 5718.4) 1 446.2662 446.2662@1.1772171 + 696.5781@1.1792148 1.1792148 (697.5854, 2636.46)(698.5853, 1868.12) 1 696.5781 696.5781@1.1792148 + 265.2038@1.1705712 1.1705712 (266.2114, 6990.3203) 3 265.2038 265.2038@1.1705712 + 1280.3416@1.2809802 1.2809802 (1281.3486, 3564.2576)(1282.3474, 2175.2598)(1283.347, 3106.9)(1284.345, 1254.01) 7 1280.3416 1280.3416@1.2809802 + 281.1945@1.1862072 1.1862072 (282.2018, 3736.57) 1 281.1945 281.1945@1.1862072 + 356.3467@1.1888535 1.1888535 (357.35446, 3674.9065) 3 356.3467 356.3467@1.1888535 + 321.2656@1.112214 1.112214 (322.2738, 4368.85)(323.2734, 1505.7) 3 321.2656 321.2656@1.112214 + 229.1388@1.1991926 1.1991926 (230.1461, 7200.34)(231.1388, 2608.46) 1 229.1388 229.1388@1.1991926 + 233.154@1.2025588 1.2025588 (234.16078, 4975.2983) 7 233.154 233.154@1.2025588 + 555.4093@1.1053941 1.1053941 (556.41693, 4392.117)(557.4175, 2217.2302)(558.4099, 7928.27)(573.4421, 4397.63)(578.405, 3222.9)(579.412, 2055.5) 4 555.4093 555.4093@1.1053941 + 337.2597@1.1204891 1.1204891 (338.269, 7407.47)(339.268, 4788.8) 3 337.2597 337.2597@1.1204891 + 591.4495@1.2040243 1.2040243 (592.45825, 2829.574)(593.45935, 1392.548)(594.4405, 1600.91)(609.4861, 908.0) 5 591.4495 591.4495@1.2040243 + 537.4377@1.160674 1.160674 (538.44604, 3623.5364)(539.4473, 1817.1367)(540.4423, 2406.94) 3 537.4377 537.4377@1.160674 + 430.2707@1.2124534 1.2124534 (431.27286, 4737.33) 2 430.2707 430.2707@1.2124534 + 314.1881@1.2207819 1.2207819 (315.19363, 5619.126)(316.2009, 3702.1099) 7 314.1881 314.1881@1.2207819 + 296.0797@1.2245524 1.2245524 (297.08652, 14959.247)(298.0895, 2913.2876) 4 296.0797 296.0797@1.2245524 + 342.2972@1.2426062 1.2426062 (343.3024, 3304.775)(344.3094, 1939.43)(365.2871, 11386.24) 2 342.2972 342.2972@1.2426062 + 555.4123@1.2501343 1.2501343 (556.4196, 2742.03)(557.4119, 1258.92)(558.4318, 2504.94) 1 555.4123 555.4123@1.2501343 + 318.2916@1.2098418 1.2098418 (319.2981, 9523.5205)(320.30313, 1718.2659)(301.2884, 2014.47)(336.32587, 397529.06)(337.32892, 100390.34)(338.33664, 24026.25) 8 318.2916 318.2916@1.2098418 + 361.2564@1.2521319 1.2521319 (362.2637, 7332.87) 1 361.2564 361.2564@1.2521319 + 330.2413@1.2397679 1.2397679 (331.24722, 2529.0535)(348.2749, 20888.55)(353.23047, 15665.165) 3 330.2413 330.2413@1.2397679 + 499.3622@1.2531308 1.2531308 (500.3695, 2669.26)(501.3834, 1556.04)(502.3734, 37268.66) 1 499.3622 499.3622@1.2531308 + 329.2562@1.1706808 1.1706808 (330.26328, 75599.445)(331.2738, 28776.014)(312.249, 5509.64)(352.244, 7136.61) 7 329.2562 329.2562@1.1706808 + 383.3034@1.2550138 1.2550138 (767.6112, 2130.3252)(768.61694, 1148.03)(769.6284, 4743.47)(770.6332, 2704.72)(771.6393, 1964.78)(789.6008, 1304.31)(790.5957, 1007.34)(384.30945, 20788.684)(385.3069, 14447.19)(366.30045, 16482.178)(367.3027, 6151.83)(401.3385, 1604.5813)(402.3504, 1019.72)(406.29327, 7642.0244)(407.2893, 3567.8086) 13 383.3034 383.3034@1.2550138 + 359.0529@1.2951031 1.2951031 (360.0601, 3367.5635)(361.0632, 1008.04) 3 359.0529 359.0529@1.2951031 + 80.0625@1.2549684 1.2549684 (161.13231, 5775.7437)(162.13318, 1231.4401)(163.1382, 3845.62)(178.15845, 1817.355)(81.06963, 1513.8258) 7 80.0625 80.0625@1.2549684 + 509.3828@1.2544497 1.2544497 (510.38828, 3584.7532)(511.3977, 2027.5433)(492.37817, 4435.02)(493.3777, 1889.06)(494.36725, 4112.005)(495.36435, 1751.905)(496.3637, 1248.37) 6 509.3828 509.3828@1.2544497 + 516.4647@1.2561272 1.2561272 (517.4719, 1224.17) 1 516.4647 516.4647@1.2561272 + 441.3442@1.208264 1.208264 (442.35196, 3376.97)(443.3458, 1464.48) 3 441.3442 441.3442@1.208264 + 721.6406@1.2559223 1.2559223 (722.648, 21094.484)(744.6295, 7044.32) 2 721.6406 721.6406@1.2559223 + 726.6231@1.1946455 1.1946455 (727.6235, 1968.7101)(728.6142, 1640.3401)(749.6015, 1338.22) 8 726.6231 726.6231@1.1946455 + 829.3842@1.2571261 1.2571261 (830.3914, 1541.98)(831.3897, 1193.54)(832.3855, 1058.66) 1 829.3842 829.3842@1.2571261 + 325.2974@1.2594011 1.2594011 (326.30475, 9086.885)(327.3066, 2865.87) 2 325.2974 325.2974@1.2594011 + 821.6836@1.258125 1.258125 (822.6909, 2049.41)(823.6829, 1432.14) 1 821.6836 821.6836@1.258125 + 694.6223@1.258125 1.258125 (695.6266, 2117.48)(696.6351, 1286.55)(697.6408, 605.27)(717.6127, 6160.44)(718.6146, 3581.71)(719.6285, 13253.88)(720.6316, 6012.83)(721.6449, 45552.79) 1 694.6223 694.6223@1.258125 + 778.6805@1.258125 1.258125 (779.6878, 1585.3)(780.6964, 808.45) 1 778.6805 778.6805@1.258125 + 747.6435@1.258125 1.258125 (748.6514, 1723.63)(770.6325, 6008.57)(771.6348, 3412.9)(772.616, 2844.65) 1 747.6435 747.6435@1.258125 + 742.619@1.2591238 1.2591238 (743.6263, 14450.21)(744.6277, 7759.33)(745.64, 10149.7)(746.6453, 4739.28)(747.6517, 3203.28) 1 742.619 742.619@1.2591238 + 532.4604@1.2591238 1.2591238 (533.4676, 3788.66) 1 532.4604 532.4604@1.2591238 + 761.6332@1.2589198 1.2589198 (762.64105, 3065.99)(763.64624, 2241.315)(764.641, 1457.595) 2 761.6332 761.6332@1.2589198 + 756.6011@1.25842 1.25842 (757.60815, 4185.92)(758.6056, 3238.91)(759.6212, 10233.305)(760.62354, 5253.83)(761.63574, 6252.44) 2 756.6011 756.6011@1.25842 + 751.6138@1.2591238 1.2591238 (752.6211, 7232.25) 1 751.6138 751.6138@1.2591238 + 764.5934@1.2591238 1.2591238 (765.6006, 4073.01)(766.5982, 2486.99)(767.6161, 6635.04)(768.6223, 3462.63)(769.6301, 9885.12) 1 764.5934 764.5934@1.2591238 + 738.6463@1.2589844 1.2589844 (739.65393, 8512.713)(740.6578, 3798.9224)(741.66406, 2130.3835)(721.6452, 7845.72)(722.648, 3880.66)(723.6589, 4182.69)(724.6632, 1858.79)(725.6681, 905.46) 4 738.6463 738.6463@1.2589844 + 584.474@1.2587724 1.2587724 (585.47534, 3243.9849)(586.46466, 1830.885)(587.4748, 4629.19)(588.4737, 3399.62)(589.4792, 3604.47) 2 584.474 584.474@1.2587724 + 448.2759@1.2601227 1.2601227 (449.2832, 3431.2) 1 448.2759 448.2759@1.2601227 + 706.5875@1.2601227 1.2601227 (707.5975, 3522.22)(708.5936, 1820.67)(709.6112, 3675.28)(710.6071, 1546.44)(711.6269, 2188.58)(689.5809, 1177.51)(729.5744, 1374.66) 1 706.5875 706.5875@1.2601227 + 253.1658@1.2519419 1.2519419 (507.3268, 1657.8)(254.1732, 6760.5547)(255.1698, 1844.75)(236.16199, 14590.125)(271.2029, 3887.54)(276.15347, 1962.1025) 7 253.1658 253.1658@1.2519419 + 778.6211@1.2601227 1.2601227 (779.6284, 1950.75)(780.6444, 1383.97) 1 778.6211 778.6211@1.2601227 + 689.4694@1.2601227 1.2601227 (690.4786, 1081.76)(712.4535, 621.99) 1 689.4694 689.4694@1.2601227 + 533.3818@1.2130871 1.2130871 (534.39453, 1811.98)(535.3989, 909.11) 2 533.3818 533.3818@1.2130871 + 775.6111@1.2601227 1.2601227 (776.6184, 5094.69)(777.6295, 3833.5)(778.6359, 2114.05) 1 775.6111 775.6111@1.2601227 + 788.5927@1.2609183 1.2609183 (789.6019, 2394.12)(790.5973, 1846.715)(791.61224, 3444.5352)(792.6141, 2791.31)(793.6257, 1987.09) 2 788.5927 788.5927@1.2609183 + 506.3661@1.1942737 1.1942737 (507.3687, 3085.945)(489.3637, 5981.81) 2 506.3661 506.3661@1.1942737 + 782.6073@1.2611214 1.2611214 (783.6145, 2482.97)(784.6157, 1938.26)(785.6246, 3199.4) 1 782.6073 782.6073@1.2611214 + 755.3642@1.2621202 1.2621202 (756.3715, 1026.49) 1 755.3642 755.3642@1.2621202 + 741.6625@1.2621202 1.2621202 (742.6698, 1442.28) 1 741.6625 741.6625@1.2621202 + 652.5445@1.2614173 1.2614173 (653.5504, 2332.295)(654.5504, 1586.8899) 2 652.5445 652.5445@1.2614173 + 572.4526@1.2604188 1.2604188 (573.4571, 2084.7131)(574.4632, 1278.2433) 3 572.4526 572.4526@1.2604188 + 445.3885@1.2600641 1.2600641 (446.3926, 1437.96)(447.3939, 1062.17)(428.38434, 1702.97)(429.3711, 875.07) 3 445.3885 445.3885@1.2600641 + 660.4834@1.264118 1.264118 (661.4907, 2418.08)(662.49, 1998.14) 1 660.4834 660.4834@1.264118 + 804.604@1.264118 1.264118 (805.6113, 1609.34)(806.5961, 1177.03)(807.6114, 1755.58) 1 804.604 804.604@1.264118 + 650.5019@1.2651168 1.2651168 (651.5092, 2847.0)(652.53, 1590.06)(653.5078, 1982.15) 1 650.5019 650.5019@1.2651168 + 654.5619@1.2651168 1.2651168 (655.5692, 3252.86)(656.5737, 2144.48)(657.5753, 922.88) 1 654.5619 654.5619@1.2651168 + 638.5187@1.2701108 1.2701108 (639.526, 4123.21) 1 638.5187 638.5187@1.2701108 + 644.4738@1.2667694 1.2667694 (645.4834, 2110.8901)(646.4791, 1350.12)(647.4941, 3791.29)(648.4858, 2252.3)(649.4946, 3196.52) 2 644.4738 644.4738@1.2667694 + 632.4769@1.2692618 1.2692618 (633.482, 5967.815)(634.4747, 5538.91) 2 632.4769 632.4769@1.2692618 + 297.2665@1.2905543 1.2905543 (298.27356, 3553.806)(299.2752, 1126.775)(320.2559, 1212.58) 5 297.2665 297.2665@1.2905543 + 640.5082@1.2920847 1.2920847 (641.5155, 2838.45)(642.5149, 1206.29) 1 640.5082 640.5082@1.2920847 + 1281.3394@1.2980775 1.2980775 (1282.3467, 1520.1)(1283.344, 728.48) 1 1281.3394 1281.3394@1.2980775 + 494.1764@1.3030715 1.3030715 (495.1837, 4784.31)(496.1898, 1525.0) 1 494.1764 494.1764@1.3030715 + 464.3957@1.303207 1.303207 (465.40317, 1515.43)(466.40884, 757.43) 3 464.3957 464.3957@1.303207 + 454.373@1.3060678 1.3060678 (455.3803, 2061.82)(456.3803, 989.07) 1 454.373 454.373@1.3060678 + 665.4947@1.3210496 1.3210496 (666.502, 1194.58)(667.4894, 785.4) 1 665.4947 665.4947@1.3210496 + 171.0647@1.3276395 1.3276395 (172.07196, 14969.945)(173.0814, 2869.21) 2 171.0647 171.0647@1.3276395 + 424.3656@1.3290398 1.3290398 (425.3728, 4185.05)(426.3748, 2279.21) 1 424.3656 424.3656@1.3290398 + 440.3601@1.3482114 1.3482114 (441.36664, 2488.6365)(423.3564, 2418.11)(463.34778, 963.805) 8 440.3601 440.3601@1.3482114 + 494.3335@1.3455393 1.3455393 (495.33926, 3094.2012)(496.34302, 1534.005)(497.35284, 776.7) 8 494.3335 494.3335@1.3455393 + 585.4805@1.3380287 1.3380287 (586.4865, 2635.56)(568.4774, 10210.1)(569.4815, 4288.6) 1 585.4805 585.4805@1.3380287 + 1353.36@1.3443996 1.3443996 (1354.3682, 2582.5933)(1355.3667, 1622.6599)(1356.3647, 965.56506) 3 1353.36 1353.36@1.3443996 + 274.2254@1.379053 1.379053 (275.2314, 2206.275)(276.231, 507.53) 4 274.2254 274.2254@1.379053 + 396.3347@1.3855169 1.3855169 (397.34222, 2072.0)(398.344, 1206.84) 2 396.3347 396.3347@1.3855169 + 523.4431@1.3929596 1.3929596 (524.4503, 4818.24)(525.4532, 1703.96)(526.4316, 3727.52) 1 523.4431 523.4431@1.3929596 + 134.1089@1.4075669 1.4075669 (135.11543, 3727.2898)(136.1138, 729.11)(152.14244, 5217.8237) 3 134.1089 134.1089@1.4075669 + 202.121@1.4129844 1.4129844 (203.12836, 2634.1865)(185.1181, 2049.17)(220.1564, 1045.16)(225.11041, 11009.82)(226.1125, 2015.27)(227.1026, 916.54) 6 202.121 202.121@1.4129844 + 470.3719@1.4376918 1.4376918 (471.37683, 912.03253)(453.36856, 5174.3267)(454.37094, 2006.39) 4 470.3719 470.3719@1.4376918 + 594.4935@1.4169286 1.4169286 (595.5007, 1974.65)(596.5048, 900.19)(597.5123, 470.08) 1 594.4935 594.4935@1.4169286 + 395.323@1.418926 1.418926 (396.33, 2970.18)(397.335, 812.65)(418.3128, 1594.22) 1 395.323 395.323@1.418926 + 624.4708@1.4199247 1.4199247 (625.4781, 1721.74)(626.4795, 766.74) 1 624.4708 624.4708@1.4199247 + 591.4876@1.4209235 1.4209235 (592.4965, 1370.62)(593.4915, 1019.83)(594.4885, 933.75)(609.5176, 911.39) 1 591.4876 591.4876@1.4209235 + 410.349@1.4289129 1.4289129 (411.3563, 1788.42) 1 410.349 410.349@1.4289129 + 519.4343@1.4369024 1.4369024 (520.4416, 1057.17) 1 519.4343 519.4343@1.4369024 + 187.0287@1.4428946 1.4428946 (188.0355, 1603.73)(205.0644, 778.61) 1 187.0287 187.0287@1.4428946 + 478.3374@1.4656875 1.4656875 (479.34485, 2281.165)(480.3402, 1243.98)(481.3445, 650.63) 2 478.3374 478.3374@1.4656875 + 206.0696@1.4678613 1.4678613 (207.0765, 3022.91)(229.0592, 3264.15) 1 206.0696 206.0696@1.4678613 + 606.4508@1.5297132 1.5297132 (607.45825, 3189.1736)(608.4624, 1115.891) 11 606.4508 606.4508@1.5297132 + 353.2566@1.5355119 1.5355119 (354.26428, 10527.793)(355.26733, 2669.7334)(356.2641, 1651.88) 3 353.2566 353.2566@1.5355119 + 606.9517@1.535814 1.535814 (607.95935, 2398.42) 5 606.9517 606.9517@1.535814 + 324.144@1.5392498 1.5392498 (325.15045, 3119.827)(326.15717, 1275.6101)(327.14636, 1299.215)(342.1728, 3400.63)(347.12936, 2649.4116)(348.13895, 552.5966)(349.1329, 122.74) 10 324.144 324.144@1.5392498 + 170.1128@1.5477515 1.5477515 (341.2314, 2077.89)(171.1203, 7983.33)(172.1315, 2266.76)(173.1228, 1869.12) 1 170.1128 170.1128@1.5477515 + 443.3761@1.4993867 1.4993867 (444.3823, 5667.625)(445.38586, 2650.2966)(446.3873, 1279.2) 4 443.3761 443.3761@1.4993867 + 396.1327@1.5881088 1.5881088 (397.14078, 1957.0675)(398.1397, 879.55) 4 396.1327 396.1327@1.5881088 + 325.1798@1.5886846 1.5886846 (326.18652, 2746.4133)(343.2141, 6369.723)(348.16745, 2805.0066) 3 325.1798 325.1798@1.5886846 + 245.0738@1.5902047 1.5902047 (246.08218, 1849.0026)(247.07956, 498.97498) 4 245.0738 245.0738@1.5902047 + 722.5312@1.5943124 1.5943124 (723.53674, 1605.23)(724.54004, 1054.48) 4 722.5312 722.5312@1.5943124 + 359.1417@1.6126586 1.6126586 (360.149, 7515.32)(361.156, 1553.99) 1 359.1417 359.1417@1.6126586 + 386.1782@1.5955932 1.5955932 (387.18433, 1348.915) 2 386.1782 386.1782@1.5955932 + 359.1412@1.6575832 1.6575832 (360.14893, 5306.783)(361.15924, 1591.25)(362.1505, 873.195)(382.13037, 1950.23)(383.1322, 944.96) 3 359.1412 359.1412@1.6575832 + 399.2977@1.6605877 1.6605877 (400.3049, 6185.56)(401.3082, 1146.4) 1 399.2977 399.2977@1.6605877 + 226.0957@1.6675773 1.6675773 (227.103, 5323.35)(228.0993, 1171.18) 1 226.0957 226.0957@1.6675773 + 285.194@1.6675773 1.6675773 (286.2013, 4358.56)(287.2028, 1597.7) 1 285.194 285.194@1.6675773 + 184.0487@1.7227376 1.7227376 (185.05624, 3335.86)(207.0379, 2503.135) 2 184.0487 184.0487@1.7227376 + 413.1645@1.7264521 1.7264521 (414.17218, 1878.74) 7 413.1645 413.1645@1.7264521 + 173.1051@1.7344749 1.7344749 (174.1124, 9247.41) 1 173.1051 173.1051@1.7344749 + 224.069@1.7694201 1.7694201 (225.0763, 8076.36)(226.0804, 1337.79)(227.0769, 732.32) 1 224.069 224.069@1.7694201 + 242.0793@1.7714169 1.7714169 (243.087, 3942.75)(244.0924, 978.05)(265.0683, 9091.64)(266.0738, 1234.6) 1 242.0793 242.0793@1.7714169 + 245.0816@1.7746677 1.7746677 (246.0887, 3265.0999)(247.0927, 893.9)(248.0914, 715.09) 2 245.0816 245.0816@1.7746677 + 171.0898@1.8612711 1.8612711 (172.0973, 11996.1)(173.0936, 2235.16)(154.0856, 2862.71) 1 171.0898 171.0898@1.8612711 + 917.5519@1.8710517 1.8710517 (918.55896, 1715.2218)(919.5619, 1054.4661)(920.5659, 856.975)(940.541, 5838.874)(941.5443, 3036.368)(942.5456, 1397.29)(943.5514, 684.06) 11 917.5519 917.5519@1.8710517 + 243.0568@1.8792412 1.8792412 (244.0641, 1415.38) 1 243.0568 243.0568@1.8792412 + 458.017@1.8992077 1.8992077 (459.0243, 1599.67) 1 458.017 458.017@1.8992077 + 730.0256@1.9061958 1.9061958 (731.0329, 869.78)(732.0409, 729.95) 1 730.0256 730.0256@1.9061958 + 213.1727@1.9291072 1.9291072 (214.18005, 6585.63) 2 213.1727 213.1727@1.9291072 + 204.1471@1.941141 1.941141 (205.15425, 3048.2974) 4 204.1471 204.1471@1.941141 + 333.9876@2.0125666 2.0125666 (334.99515, 1526.24)(336.0085, 565.25) 2 333.9876 333.9876@2.0125666 + 300.1114@2.0302238 2.0302238 (301.11862, 7071.547)(302.11407, 2905.1602)(303.1083, 1063.58) 3 300.1114 300.1114@2.0302238 + 345.9746@2.071904 2.071904 (346.9818, 1250.52)(364.0086, 1590.91) 1 345.9746 345.9746@2.071904 + 157.0526@2.0747294 2.0747294 (158.06006, 3627.3699)(159.0621, 959.01) 2 157.0526 157.0526@2.0747294 + 191.0586@2.125647 2.125647 (192.06575, 5397.79)(193.06934, 748.26) 2 191.0586 191.0586@2.125647 + 672.1875@2.1617365 2.1617365 (673.1947, 827.64) 1 672.1875 672.1875@2.1617365 + 636.9606@2.1986659 2.1986659 (637.9679, 1276.86) 1 636.9606 636.9606@2.1986659 + 461.2976@2.23184 2.23184 (462.3037, 2610.553)(463.30795, 866.39435) 10 461.2976 461.2976@2.23184 + 413.1869@2.2850604 2.2850604 (414.193, 1065.69)(396.18506, 910.96497) 2 413.1869 413.1869@2.2850604 + 377.205@2.3004653 2.3004653 (378.2123, 2429.88)(379.22, 819.9) 1 377.205 377.205@2.3004653 + 407.0678@2.5080307 2.5080307 (408.0751, 1136.91) 1 407.0678 407.0678@2.5080307 + 363.0487@2.7474866 2.7474866 (364.0559, 1394.07) 1 363.0487 363.0487@2.7474866 + 479.2701@2.7422512 2.7422512 (480.27798, 5438.8276)(481.2815, 1969.6875)(482.2808, 1316.51)(462.2671, 1773.1901)(463.2713, 1210.23) 5 479.2701 479.2701@2.7422512 + 68.0262@2.750006 2.750006 (69.0334, 2987.6897) 3 68.0262 68.0262@2.750006 + 356.9694@2.7720637 2.7720637 (357.97693, 1148.7151) 2 356.9694 356.9694@2.7720637 + 108.021@2.7592483 2.7592483 (109.0283, 11254.47)(110.0339, 1111.52) 2 108.021 108.021@2.7592483 + 449.2254@2.770432 2.770432 (450.2327, 6509.33)(451.2369, 1536.1) 1 449.2254 449.2254@2.770432 + 234.1257@2.7734249 2.7734249 (235.1328, 12573.68)(236.1366, 1119.57)(252.1611, 1506.89) 1 234.1257 234.1257@2.7734249 + 454.1816@2.7774153 2.7774153 (455.1889, 1931.02) 1 454.1816 454.1816@2.7774153 + 240.1008@2.7794492 2.7794492 (241.10793, 11046.355)(223.0986, 4277.2) 6 240.1008 240.1008@2.7794492 + 199.1204@2.7834997 2.7834997 (200.12741, 10520.449)(201.1304, 1491.4299) 2 199.1204 199.1204@2.7834997 + 157.0741@2.78427 2.78427 (158.08147, 8205.696)(159.08118, 1643.2867)(160.085, 899.41) 3 157.0741 157.0741@2.78427 + 384.1128@2.8779643 2.8779643 (385.12, 5326.96) 2 384.1128 384.1128@2.8779643 + 692.2013@2.8324444 2.8324444 (693.20856, 2438.3916)(694.2114, 1228.0167)(715.1923, 1035.78) 6 692.2013 692.2013@2.8324444 + 412.0272@2.8282926 2.8282926 (413.0345, 3330.83)(414.0359, 860.7) 1 412.0272 412.0272@2.8282926 + 486.1412@2.8257103 2.8257103 (487.14804, 2392.9631) 3 486.1412 486.1412@2.8257103 + 335.9994@2.8350663 2.8350663 (337.00647, 3916.6572)(338.01175, 885.06665) 4 335.9994 335.9994@2.8350663 + 691.2052@2.8348207 2.8348207 (692.2123, 2036.95) 2 691.2052 691.2052@2.8348207 + 598.0961@2.9008255 2.9008255 (599.1027, 1429.595)(600.0995, 926.19) 2 598.0961 598.0961@2.9008255 + 776.2169@2.8183928 2.8183928 (777.2252, 2895.92)(778.22974, 1132.22) 2 776.2169 776.2169@2.8183928 + 222.0904@2.9316187 2.9316187 (223.0979, 6243.15) 2 222.0904 222.0904@2.9316187 + 179.0795@2.9116547 2.9116547 (180.08682, 314133.56)(181.09007, 22469.979)(182.09099, 4451.7134) 5 179.0795 179.0795@2.9116547 + 70.0418@2.9270484 2.9270484 (71.0491, 1368.53) 1 70.0418 70.0418@2.9270484 + 300.0951@2.940016 2.940016 (301.1024, 4616.73) 1 300.0951 300.0951@2.940016 + 187.1208@2.9427838 2.9427838 (188.12814, 8719.641)(189.12985, 1229.5149)(190.1215, 940.42) 2 187.1208 187.1208@2.9427838 + 449.2262@2.9469984 2.9469984 (450.2335, 4493.33)(451.2379, 1214.75) 1 449.2262 449.2262@2.9469984 + 329.1298@2.942479 2.942479 (330.13748, 1577.59)(331.1426, 632.39) 3 329.1298 329.1298@2.942479 + 595.1577@2.9863505 2.9863505 (596.1646, 1679.655) 4 595.1577 595.1577@2.9863505 + 700.1293@3.0098379 3.0098379 (701.1373, 853.04)(683.126, 6194.75)(684.1286, 2096.7)(685.1298, 782.32) 1 700.1293 700.1293@3.0098379 + 407.0397@3.0426223 3.0426223 (408.04697, 1617.0166) 3 407.0397 407.0397@3.0426223 + 314.0087@3.049295 3.049295 (315.01593, 1645.54) 2 314.0087 314.0087@3.049295 + 409.1393@3.0477397 3.0477397 (410.1466, 1586.69) 1 409.1393 409.1393@3.0477397 + 574.1328@3.0786588 3.0786588 (575.1401, 3073.99)(576.1415, 1192.97) 1 574.1328 574.1328@3.0786588 + 312.0886@3.0843391 3.0843391 (313.09583, 2930.805)(314.09976, 653.00336) 4 312.0886 312.0886@3.0843391 + 269.1627@3.0856402 3.0856402 (270.1701, 4555.19)(271.18, 625.51)(252.1586, 1368.48) 1 269.1627 269.1627@3.0856402 + 566.1289@3.0913813 3.0913813 (567.1365, 2021.7476)(568.1403, 966.7) 4 566.1289 566.1289@3.0913813 + 217.0708@3.22327 3.22327 (218.078, 4634.67)(219.0799, 543.0) 1 217.0708 217.0708@3.22327 + 390.1737@3.2262616 3.2262616 (391.1809, 2418.9)(392.1846, 916.05) 1 390.1737 390.1737@3.2262616 + 116.0588@3.2531874 3.2531874 (117.0661, 7736.63) 1 116.0588 116.0588@3.2531874 + 171.0901@3.3209977 3.3209977 (172.0973, 9941.54)(173.0948, 1834.38) 1 171.0901 171.0901@3.3209977 + 237.098@3.3399441 3.3399441 (238.1053, 7601.06) 1 237.098 237.098@3.3399441 + 387.2409@3.4426484 3.4426484 (388.2481, 4392.88)(389.2479, 1213.63) 1 387.2409 387.2409@3.4426484 + 180.0534@3.4675756 3.4675756 (181.0607, 12066.71) 1 180.0534 180.0534@3.4675756 + 446.8422@3.4501014 3.4501014 (447.8495, 4101.6) 4 446.8422 446.8422@3.4501014 + 229.1315@3.478543 3.478543 (230.1388, 6743.31)(231.1405, 1364.29) 1 229.1315 229.1315@3.478543 + 360.1331@3.4805374 3.4805374 (361.1403, 1770.63) 1 360.1331 360.1331@3.4805374 + 281.1265@3.7327683 3.7327683 (282.1338, 4695.62)(283.1479, 1706.05) 1 281.1265 281.1265@3.7327683 + 229.1317@3.738749 3.738749 (230.139, 6727.47)(231.142, 1565.33)(252.1208, 4903.98)(253.1221, 1257.57) 1 229.1317 229.1317@3.738749 + 753.5347@3.7669816 3.7669816 (754.54175, 2986.4524)(755.5446, 1490.2567) 4 753.5347 753.5347@3.7669816 + 898.6364@3.8165505 3.8165505 (899.6418, 1144.355)(900.6477, 919.52) 2 898.6364 898.6364@3.8165505 + 782.5556@3.786217 3.786217 (783.56305, 2788.2285)(784.5673, 1529.834) 6 782.5556 782.5556@3.786217 + 624.7869@3.8125145 3.8125145 (625.7942, 1614.36) 1 624.7869 624.7869@3.8125145 + 721.186@3.8355598 3.8355598 (722.19434, 1338.87) 2 721.186 721.186@3.8355598 + 898.6346@3.834212 3.834212 (899.6438, 1279.5801)(900.64984, 1027.2849) 2 898.6346 898.6346@3.834212 + 663.1448@3.8283463 3.8283463 (664.15234, 2070.6948) 2 663.1448 663.1448@3.8283463 + 720.8539@3.8430333 3.8430333 (721.8602, 1424.085) 2 720.8539 720.8539@3.8430333 + 541.5574@3.8573697 3.8573697 (542.5647, 2853.98)(543.5687, 1037.87) 1 541.5574 541.5574@3.8573697 + 549.6213@3.86036 3.86036 (550.6286, 234430.3)(551.6319, 98477.98)(552.635, 20569.3)(553.638, 4222.41) 1 549.6213 549.6213@3.86036 + 834.0891@3.9371083 3.9371083 (835.0964, 2099.44) 1 834.0891 834.0891@3.9371083 + 580.7498@3.948732 3.948732 (581.7569, 2390.9075)(582.7595, 625.36) 4 580.7498 580.7498@3.948732 + 891.6325@3.957042 3.957042 (892.6398, 2635.13)(893.6455, 1188.63) 1 891.6325 891.6325@3.957042 + 949.6759@3.9523468 3.9523468 (950.6846, 1263.23)(951.68365, 925.8499) 3 949.6759 949.6759@3.9523468 + 941.6275@3.9731262 3.9731262 (942.635, 1712.96)(943.6381, 792.105) 3 941.6275 941.6275@3.9731262 + 978.6944@3.9553413 3.9553413 (979.7028, 1055.5901)(980.7065, 990.76) 2 978.6944 978.6944@3.9553413 + 834.0908@3.9749823 3.9749823 (835.098, 1727.03) 1 834.0908 834.0908@3.9749823 + 187.0852@3.9799657 3.9799657 (188.0932, 4715.75)(210.0741, 12313.2) 1 187.0852 187.0852@3.9799657 + 620.1124@3.993919 3.993919 (621.1197, 1670.9) 1 620.1124 620.1124@3.993919 + 677.8202@3.9597538 3.9597538 (678.8275, 2110.518) 5 677.8202 677.8202@3.9597538 + 437.423@4.010172 4.010172 (438.43018, 1614.3966)(439.4331, 1086.5701) 3 437.423 437.423@4.010172 + 275.1194@4.034781 4.034781 (276.1269, 3806.8)(298.1086, 7229.5) 1 275.1194 275.1194@4.034781 + 614.7719@4.0759387 4.0759387 (615.7797, 2099.2566)(616.7827, 883.21) 3 614.7719 614.7719@4.0759387 + 75.0319@4.0866046 4.0866046 (76.0392, 2873.18) 1 75.0319 75.0319@4.0866046 + 634.1186@4.0773177 4.0773177 (635.1264, 2325.2324)(636.1287, 1054.21) 4 634.1186 634.1186@4.0773177 + 139.0636@4.087149 4.087149 (140.0709, 10510.733)(141.06892, 1756.7433) 3 139.0636 139.0636@4.087149 + 576.0775@4.0708976 4.0708976 (577.085, 1973.7133) 3 576.0775 576.0775@4.0708976 + 730.8578@4.079681 4.079681 (731.8642, 1650.2219)(732.8674, 967.504) 5 730.8578 730.8578@4.079681 + 712.1781@4.0819917 4.0819917 (713.1851, 1496.14) 3 712.1781 712.1781@4.0819917 + 189.0383@4.0849795 4.0849795 (190.0457, 5638.9053)(191.04735, 770.38)(207.0694, 817.34) 2 189.0383 189.0383@4.0849795 + 653.4667@4.08038 4.08038 (654.47424, 2219.8943)(655.4785, 996.7843) 7 653.4667 653.4667@4.08038 + 769.5511@4.095164 4.095164 (770.5571, 1330.9933)(771.5578, 620.46) 3 769.5511 769.5511@4.095164 + 557.0682@4.10255 4.10255 (558.0755, 1263.34) 1 557.0682 557.0682@4.10255 + 225.0616@4.1035466 4.1035466 (226.0688, 4349.75) 1 225.0616 225.0616@4.1035466 + 353.3288@4.086037 4.086037 (354.33624, 3420.77)(355.3387, 999.6175) 4 353.3288 353.3288@4.086037 + 242.1629@4.185313 4.185313 (243.17033, 5347.2896)(244.1646, 2096.98) 3 242.1629 242.1629@4.185313 + 182.0845@4.2012067 4.2012067 (183.0918, 7311.61)(184.0966, 2171.44) 1 182.0845 182.0845@4.2012067 + 244.1789@4.2017956 4.2017956 (245.18616, 1696.995) 2 244.1789 244.1789@4.2017956 + 707.5043@4.210192 4.210192 (708.51086, 1601.3601)(709.5121, 1023.6) 2 707.5043 707.5043@4.210192 + 726.1833@4.200937 4.200937 (727.19116, 1708.6566)(728.1966, 1025.52) 3 726.1833 726.1833@4.200937 + 551.4183@4.3058343 4.3058343 (552.4256, 1228.67) 1 551.4183 551.4183@4.3058343 + 366.2597@4.306831 4.306831 (367.267, 4313.27)(368.2707, 1189.02) 1 366.2597 366.2597@4.306831 + 721.8461@4.3193016 4.3193016 (722.8533, 1659.33) 2 721.8461 721.8461@4.3193016 + 768.4087@4.3167944 4.3167944 (769.4159, 2710.47) 1 768.4087 768.4087@4.3167944 + 264.1475@4.323769 4.323769 (265.1547, 3448.64)(266.1589, 1188.46) 1 264.1475 264.1475@4.323769 + 702.1634@4.3157444 4.3157444 (703.17236, 1942.37) 2 702.1634 702.1634@4.3157444 + 228.1457@4.3935156 4.3935156 (229.153, 5114.94)(230.1657, 857.36) 1 228.1457 228.1457@4.3935156 + 923.4632@4.3955083 4.3955083 (924.4705, 1666.95)(925.4701, 812.05) 1 923.4632 923.4632@4.3955083 + 230.163@4.406926 4.406926 (231.17026, 5016.1104)(232.17557, 1060.42)(213.1589, 666.48) 5 230.163 230.163@4.406926 + 802.5705@4.4380507 4.4380507 (803.5781, 1354.63)(804.5896, 981.04004) 3 802.5705 802.5705@4.4380507 + 790.4204@4.443332 4.443332 (791.4277, 2525.68)(792.4342, 834.89) 1 790.4204 790.4204@4.443332 + 744.5294@4.4568267 4.4568267 (745.5369, 2332.3467)(746.54486, 1067.0667) 3 744.5294 744.5294@4.4568267 + 149.0586@4.457514 4.457514 (150.06604, 3082.505)(167.0925, 10656.02)(168.0987, 1273.585) 2 149.0586 149.0586@4.457514 + 745.0298@4.452222 4.452222 (746.03735, 2245.3901) 2 745.0298 745.0298@4.452222 + 373.3537@4.532 4.532 (374.3609, 2572.84)(375.3648, 649.59) 1 373.3537 373.3537@4.532 + 812.4341@4.564875 4.564875 (813.4414, 2570.2)(814.4444, 780.77) 1 812.4341 812.4341@4.564875 + 1123.8163@4.562793 4.562793 (1124.8228, 1253.01)(1125.8258, 986.69) 4 1123.8163 1123.8163@4.562793 + 413.1893@4.6027308 4.6027308 (414.1966, 2666.02) 1 413.1893 413.1893@4.6027308 + 239.1137@4.606386 4.606386 (240.121, 5438.375) 2 239.1137 239.1137@4.606386 + 655.8587@4.609102 4.609102 (656.86676, 2636.1733) 3 655.8587 655.8587@4.609102 + 1461.3359@4.6504865 4.6504865 (1462.343, 1365.17)(1463.3439, 677.55)(1464.34, 2152.04)(1465.3396, 745.53)(1466.3398, 2343.33)(1467.3379, 205.24) 5 1461.3359 1461.3359@4.6504865 + 795.5635@4.695214 4.695214 (796.5707, 1687.97)(797.57263, 948.685) 2 795.5635 795.5635@4.695214 + 737.52@4.717287 4.717287 (738.5273, 2016.92)(739.5275, 902.45) 1 737.52 737.52@4.717287 + 759.538@4.925453 4.925453 (760.5453, 1324.43)(761.5482, 1105.53) 1 759.538 759.538@4.925453 + 600.8687@5.0047765 5.0047765 (601.87604, 4504.855)(602.8802, 880.988) 6 600.8687 600.8687@5.0047765 + 699.96@5.3022 5.3022 (700.9674, 1336.5249) 2 699.96 699.96@5.3022 + 943.6495@5.42603 5.42603 (944.65656, 1619.9625)(945.65814, 1003.5275)(966.6422, 1361.09)(967.6351, 720.81) 4 943.6495 943.6495@5.42603 + 386.2723@5.455782 5.455782 (387.27997, 4614.64) 2 386.2723 386.2723@5.455782 + 806.5658@5.445581 5.445581 (807.5708, 243586.3)(808.582, 136216.33)(809.58636, 53145.63) 6 806.5658 806.5658@5.445581 + 849.5167@5.4666753 5.4666753 (850.52423, 11513.649)(851.52704, 5925.767)(852.5404, 13668.18)(853.5433, 4727.79)(854.5516, 15275.88)(855.5559, 8666.72)(856.5693, 28156.22) 3 849.5167 849.5167@5.4666753 + 834.0543@5.464141 5.464141 (835.0616, 1432.68)(836.0438, 507.94) 1 834.0543 834.0543@5.464141 + 1219.8313@5.446342 5.446342 (1220.8336, 6041.635)(1221.8435, 6296.5938)(1222.8431, 3977.4534)(1223.8615, 3489.33) 6 1219.8313 1219.8313@5.446342 + 740.5163@5.4701133 5.4701133 (741.5236, 1065.74)(742.5388, 1000.13) 1 740.5163 740.5163@5.4701133 + 897.5533@5.4618363 5.4618363 (898.5566, 3585.37)(899.5587, 2029.445) 3 897.5533 897.5533@5.4618363 + 784.691@5.463034 5.463034 (785.69763, 1889.935)(786.6965, 697.53) 2 784.691 784.691@5.463034 + 888.5516@5.473509 5.473509 (889.5584, 3181.6748) 2 888.5516 888.5516@5.473509 + 390.7805@5.4909477 5.4909477 (391.7879, 3622.295) 2 390.7805 390.7805@5.4909477 + 769.5379@5.501943 5.501943 (770.54785, 16194.992)(771.5494, 7160.3076) 4 769.5379 769.5379@5.501943 + 1545.0986@5.503281 5.503281 (1546.1031, 960.93335)(1547.108, 920.57)(1568.0862, 897.82495)(1569.0896, 852.34)(1570.1027, 889.04504) 3 1545.0986 1545.0986@5.503281 + 390.7802@5.510897 5.510897 (391.78775, 4402.6465) 3 390.7802 390.7802@5.510897 + 698.4344@5.527398 5.527398 (699.4419, 1670.28)(700.4499, 629.11) 2 698.4344 698.4344@5.527398 + 801.0494@5.5187798 5.5187798 (802.0566, 2065.375)(803.06335, 1602.815) 2 801.0494 801.0494@5.5187798 + 831.5944@5.5268564 5.5268564 (832.6017, 33102.15)(833.6027, 15719.4)(834.5954, 21176.13) 1 831.5944 831.5944@5.5268564 + 1165.3195@5.5233603 5.5233603 (1166.3252, 1604.318)(1167.3289, 1680.94)(1168.3307, 1485.44) 5 1165.3195 1165.3195@5.5233603 + 1579.1134@5.495441 5.495441 (1580.1168, 2220.69)(1581.1189, 2110.856)(1582.1233, 1641.568)(1583.1221, 1039.8167)(1562.1106, 2584.5)(1563.1143, 2640.99)(1564.1237, 6759.05)(1565.1293, 5603.31)(1566.1383, 3233.57)(1602.0898, 1927.07)(1603.094, 1947.66)(1604.1022, 1094.07) 6 1579.1134 1579.1134@5.495441 + 376.7639@5.53482 5.53482 (754.5346, 5432.45)(755.5378, 2269.99)(377.7721, 2132.89) 1 376.7639 376.7639@5.53482 + 911.605@5.537807 5.537807 (912.6123, 1664.17)(913.5964, 659.21)(914.6143, 825.89) 1 911.605 911.605@5.537807 + 1159.3279@5.537026 5.537026 (1160.3351, 6692.033)(1161.3401, 2894.185)(1162.3488, 1113.8301) 3 1159.3279 1159.3279@5.537026 + 1516.1237@5.5587115 5.5587115 (1517.1309, 2535.19) 1 1516.1237 1516.1237@5.5587115 + 964.5783@5.566532 5.566532 (965.5859, 1681.0468)(966.5881, 1137.8134)(947.5753, 2788.17)(948.5751, 1612.22)(949.5905, 3046.89)(950.5937, 1570.14)(987.5622, 1636.86)(988.5705, 1115.15)(989.5802, 1111.03) 3 964.5783 964.5783@5.566532 + 627.071@5.5746384 5.5746384 (628.0787, 1246.94)(650.0598, 1450.6) 1 627.071 627.071@5.5746384 + 851.5846@5.584593 5.584593 (852.5919, 1666.77)(853.5906, 1018.63) 1 851.5846 851.5846@5.584593 + 1122.6637@5.5965376 5.5965376 (1123.671, 942.56) 1 1122.6637 1122.6637@5.5965376 + 1001.5482@5.611469 5.611469 (1002.5555, 634.47)(1003.5588, 727.94)(1004.5669, 891.01) 1 1001.5482 1001.5482@5.611469 + 791.0545@5.625166 5.625166 (792.0612, 891.225)(793.0556, 743.635)(794.06165, 2271.095)(809.0822, 1376.83)(810.0868, 706.2) 2 791.0545 791.0545@5.625166 + 788.0415@5.628391 5.628391 (789.0488, 1579.53)(790.0552, 1029.02) 1 788.0415 788.0415@5.628391 + 831.5808@5.6390433 5.6390433 (832.58624, 12425.25)(833.58594, 3230.08) 3 831.5808 831.5808@5.6390433 + 687.3924@5.658252 5.658252 (688.3997, 1755.99)(689.4167, 1135.91) 1 687.3924 687.3924@5.658252 + 801.5184@5.6640854 5.6640854 (802.52655, 4229.09)(803.5317, 2455.275)(804.5399, 13146.92)(805.5428, 5549.71) 2 801.5184 801.5184@5.6640854 + 336.0985@5.6960754 5.6960754 (337.1058, 4927.78)(338.1099, 986.5) 1 336.0985 336.0985@5.6960754 + 129.1148@5.708501 5.708501 (130.12201, 7388.115)(131.12155, 1336.83) 2 129.1148 129.1148@5.708501 + 402.7316@5.804164 5.804164 (403.7398, 1541.735) 2 402.7316 402.7316@5.804164 + 765.5623@5.8287773 5.8287773 (766.5688, 1762.7416)(767.57275, 887.22504)(768.5656, 1420.4525) 6 765.5623 765.5623@5.8287773 + 794.0611@5.8325143 5.8325143 (795.06836, 5223.9683) 6 794.0611 794.0611@5.8325143 + 753.4558@5.8250313 5.8250313 (754.46246, 3993.2058)(755.47046, 1647.33)(756.467, 1407.52) 5 753.4558 753.4558@5.8250313 + 526.7536@5.8325458 5.8325458 (1054.5154, 2094.415)(1055.518, 1050.5333)(1056.5068, 987.15)(527.7608, 1415.1625)(549.7448, 521.89) 4 526.7536 526.7536@5.8325458 + 563.789@5.8345876 5.8345876 (564.7966, 1449.5267)(565.79663, 566.03503) 3 563.789 563.789@5.8345876 + 530.2959@5.8364105 5.8364105 (531.3032, 2037.67) 1 530.2959 530.2959@5.8364105 + 586.7273@5.8384013 5.8384013 (587.7345, 1866.13) 1 586.7273 586.7273@5.8384013 + 953.8281@5.83942 5.83942 (954.83527, 1240.34) 3 953.8281 953.8281@5.83942 + 457.756@5.842382 5.842382 (458.7633, 1241.22) 1 457.756 457.756@5.842382 + 458.7491@5.8488774 5.8488774 (459.7597, 1914.075)(460.7546, 862.76) 2 458.7491 458.7491@5.8488774 + 478.75@5.8513393 5.8513393 (958.5115, 999.04)(959.5131, 609.34)(960.5235, 824.29)(479.7563, 1057.59) 1 478.75 478.75@5.8513393 + 793.415@5.853007 5.853007 (794.42444, 4403.46)(795.4324, 1790.8141)(796.43243, 1555.6366) 5 793.415 793.415@5.853007 + 818.0521@5.859301 5.859301 (819.0594, 1804.61) 1 818.0521 818.0521@5.859301 + 264.0275@5.8770294 5.8770294 (265.0347, 1532.7251) 2 264.0275 264.0275@5.8770294 + 433.235@5.9093833 5.9093833 (434.2424, 1591.3275)(435.2446, 687.2) 4 433.235 433.235@5.9093833 + 915.6079@5.915871 5.915871 (916.61334, 1241.34) 3 915.6079 915.6079@5.915871 + 742.4068@5.93907 5.93907 (743.4235, 2012.88)(744.4149, 1236.1)(745.4151, 599.78) 3 742.4068 742.4068@5.93907 + 759.3759@5.957535 5.957535 (760.38495, 3446.0598)(761.3914, 1464.52)(762.3805, 1193.92) 3 759.3759 759.3759@5.957535 + 729.4788@5.957649 5.957649 (730.4918, 1643.87)(731.49835, 838.505)(747.5285, 956.55) 2 729.4788 729.4788@5.957649 + 1005.4914@5.935422 5.935422 (1006.49774, 802.93396)(1007.504, 652.825)(1008.5115, 1141.56)(1009.5086, 392.4)(988.487, 1756.2968)(989.4925, 1056.21)(990.4987, 1341.135)(991.5054, 737.32)(992.5148, 712.85) 5 1005.4914 1005.4914@5.935422 + 969.496@5.9559293 5.9559293 (970.49817, 1019.41504)(971.4987, 743.14746)(972.49585, 2147.555)(973.4988, 1429.5166)(974.5083, 1556.4233)(992.4914, 689.56) 4 969.496 969.496@5.9559293 + 890.5481@5.9568624 5.9568624 (891.55725, 3778.8252)(908.5809, 1769.42)(909.5834, 1207.77)(913.5364, 2508.28) 2 890.5481 890.5481@5.9568624 + 940.4975@5.9647894 5.9647894 (941.5048, 1507.57) 1 940.4975 940.4975@5.9647894 + 957.5119@5.899856 5.899856 (958.51764, 1793.5825)(959.5197, 1088.4667)(960.5293, 1400.57)(961.523, 578.62) 4 957.5119 957.5119@5.899856 + 925.5152@5.9667797 5.9667797 (926.5213, 3144.74)(927.522, 1607.86)(928.5352, 3281.4)(929.54, 1322.7)(930.5251, 2229.42)(948.5061, 1277.35)(949.5072, 990.56)(950.5202, 1615.95) 1 925.5152 925.5152@5.9667797 + 653.3679@5.9643555 5.9643555 (654.37646, 2631.78)(655.3811, 900.56506) 2 653.3679 653.3679@5.9643555 + 844.5083@5.9643536 5.9643536 (845.5161, 15327.51) 4 844.5083 844.5083@5.9643536 + 874.5723@5.921959 5.921959 (875.57855, 5831.037)(876.5697, 3363.12)(877.5684, 2581.51)(857.5673, 2246.12) 3 874.5723 874.5723@5.921959 + 673.376@5.968057 5.968057 (674.38116, 2566.0234)(675.38086, 1582.21) 3 673.376 673.376@5.968057 + 809.5869@5.9728136 5.9728136 (810.5926, 6822.5947)(811.59656, 2194.375)(812.60974, 3404.56)(813.6153, 1622.8)(814.6308, 3869.25) 2 809.5869 809.5869@5.9728136 + 1030.5645@5.9688306 5.9688306 (1031.5725, 1413.28)(1032.5752, 1087.87) 2 1030.5645 1030.5645@5.9688306 + 675.4081@5.9655232 5.9655232 (676.41516, 17840.896)(677.41846, 6611.8555)(678.4053, 2026.1635) 8 675.4081 675.4081@5.9655232 + 589.1844@5.967847 5.967847 (590.1918, 4599.52)(591.19446, 1264.088) 5 589.1844 589.1844@5.967847 + 1060.6202@5.966785 5.966785 (1061.6245, 1027.38)(1062.6112, 679.47)(1063.6205, 735.95)(1043.6168, 734.08)(1044.6215, 739.37)(1045.614, 707.54)(1083.606, 729.01)(1084.6136, 596.0) 2 1060.6202 1060.6202@5.966785 + 921.5698@5.9707603 5.9707603 (922.5771, 1263.87)(923.5669, 828.33)(924.5722, 1636.55) 1 921.5698 921.5698@5.9707603 + 814.5459@5.9717555 5.9717555 (815.5531, 1875.1)(816.5638, 1294.29)(817.5648, 1188.02) 1 814.5459 814.5459@5.9717555 + 863.5953@5.9711356 5.9711356 (864.6011, 3912.6035)(865.59296, 2823.5833)(866.58374, 2423.38)(867.573, 770.34) 3 863.5953 863.5953@5.9711356 + 711.393@5.970191 5.970191 (712.3993, 1018.79)(713.40125, 424.535)(714.41187, 4955.585) 2 711.393 711.393@5.970191 + 1014.5949@5.9705095 5.9705095 (1015.59595, 2777.535)(1016.6004, 1842.1125)(1037.5887, 2181.28)(1038.5992, 1255.36) 4 1014.5949 1014.5949@5.9705095 + 444.281@5.976866 5.976866 (445.28802, 3691.36)(446.29044, 813.354) 5 444.281 444.281@5.976866 + 714.405@5.9731784 5.9731784 (715.4125, 2451.76) 2 714.405 714.405@5.9731784 + 735.5165@5.9752426 5.9752426 (736.5228, 5915.45)(737.52563, 2691.78)(738.529, 1351.43) 2 735.5165 735.5165@5.9752426 + 803.5304@5.9706364 5.9706364 (804.546, 2435.955)(805.55347, 1158.25)(806.55804, 33489.004)(807.568, 738.79) 2 803.5304 803.5304@5.9706364 + 709.4307@5.977726 5.977726 (710.438, 2417.33)(711.4385, 1351.0) 1 709.4307 709.4307@5.977726 + 671.4136@6.1045165 6.1045165 (672.42096, 38780.652)(673.4242, 14757.696)(674.43396, 4548.8477)(675.43835, 1107.03) 11 671.4136 671.4136@6.1045165 + 683.4141@6.115046 6.115046 (684.4213, 4155.77)(685.4252, 2181.64)(686.437, 5948.37)(687.4404, 2127.46) 1 683.4141 683.4141@6.115046 + 838.531@6.177789 6.177789 (839.53546, 1881.385)(840.5463, 989.20996)(841.5541, 1190.6) 4 838.531 838.531@6.177789 + 742.4162@6.1827054 6.1827054 (743.4235, 1185.73) 1 742.4162 742.4162@6.1827054 + 937.4945@6.178082 6.178082 (938.50366, 1841.715)(939.5093, 1056.025)(940.51465, 2763.195)(941.516, 1697.79)(942.5258, 1627.0) 2 937.4945 937.4945@6.178082 + 777.4228@6.1876802 6.1876802 (778.43, 905.17)(779.42, 811.02)(780.4263, 1264.78) 1 777.4228 777.4228@6.1876802 + 429.9066@6.1996202 6.1996202 (430.9139, 1855.41) 1 429.9066 429.9066@6.1996202 + 755.378@6.196218 6.196218 (756.38873, 2475.9524)(757.394, 1385.5801) 4 755.378 755.378@6.196218 + 159.1014@6.2105646 6.2105646 (160.1086, 7642.86) 1 159.1014 159.1014@6.2105646 + 241.9183@6.2215085 6.2215085 (242.9255, 1532.48) 1 241.9183 241.9183@6.2215085 + 867.5764@6.344924 6.344924 (868.5838, 1356.255)(869.5874, 1040.885) 2 867.5764 867.5764@6.344924 + 672.4177@6.3177094 6.3177094 (673.426, 3833.0) 2 672.4177 672.4177@6.3177094 + 953.4951@6.2582083 6.2582083 (954.4991, 1383.325)(955.5095, 827.995)(956.5115, 1826.4651)(957.5156, 1362.76)(958.5203, 858.29) 2 953.4951 953.4951@6.2582083 + 795.4466@6.327963 6.327963 (796.4538, 973.45)(797.4579, 1137.22)(798.4526, 1479.66)(799.445, 422.75)(800.467, 415.76) 1 795.4466 795.4466@6.327963 + 711.4064@6.327508 6.327508 (712.41296, 3600.475)(713.4165, 1469.23)(714.4297, 3147.65)(715.428, 1356.16) 2 711.4064 711.4064@6.327508 + 956.51@6.4042635 6.4042635 (957.51526, 841.05994)(958.5248, 584.94)(959.5264, 962.09) 2 956.51 956.51@6.4042635 + 865.51@6.3299527 6.3299527 (866.5172, 2749.67) 1 865.51 865.51@6.3299527 + 837.4582@6.331942 6.331942 (838.4654, 1387.45)(839.4639, 1109.0) 1 837.4582 837.4582@6.331942 + 817.5729@6.3284407 6.3284407 (818.58325, 1714.435)(819.5864, 1188.08)(820.56775, 1644.4199)(840.5659, 1163.04)(841.5567, 668.23) 2 817.5729 817.5729@6.3284407 + 973.5132@6.333932 6.333932 (974.5205, 1356.09)(975.5272, 701.55)(976.5372, 977.71) 1 973.5132 973.5132@6.333932 + 615.3513@6.3379116 6.3379116 (616.3586, 1428.97) 1 615.3513 615.3513@6.3379116 + 996.6318@6.3408957 6.3408957 (997.6391, 998.15)(998.6393, 536.56) 1 996.6318 996.6318@6.3408957 + 893.6445@6.349021 6.349021 (894.65125, 2356.5)(895.6561, 1159.845)(896.6553, 925.43) 2 893.6445 893.6445@6.349021 + 939.511@6.357808 6.357808 (940.5182, 1161.19)(941.52, 1084.73) 1 939.511 939.511@6.357808 + 897.5392@6.4095387 6.4095387 (898.5464, 2471.78)(899.5413, 1569.84)(900.5232, 2073.48)(901.5271, 454.08) 1 897.5392 897.5392@6.4095387 + 314.1377@6.4328446 6.4328446 (315.1449, 3201.4636)(316.14905, 923.35) 3 314.1377 314.1377@6.4328446 + 671.3839@6.4664803 6.4664803 (672.38934, 5702.835)(673.4014, 992.66)(674.403, 3886.31) 2 671.3839 671.3839@6.4664803 + 638.3986@6.5265884 6.5265884 (639.40576, 9652.964)(640.40466, 2235.6763)(661.3898, 1468.03) 5 638.3986 638.3986@6.5265884 + 761.4561@6.495088 6.495088 (762.4633, 3071.1)(763.4742, 666.24) 1 761.4561 761.4561@6.495088 + 624.4134@6.5090146 6.5090146 (625.4207, 1324.67) 1 624.4134 624.4134@6.5090146 + 351.2291@6.5142145 6.5142145 (703.4642, 3447.1)(704.4549, 2420.815)(352.23734, 3122.4678)(353.2379, 782.41) 4 351.2291 351.2291@6.5142145 + 651.412@6.538856 6.538856 (652.4192, 9061.61)(653.4212, 2601.85) 1 651.412 651.412@6.538856 + 686.3133@6.5597444 6.5597444 (687.3205, 1070.61)(688.3324, 766.12) 1 686.3133 686.3133@6.5597444 + 675.4073@6.5866003 6.5866003 (676.4146, 3241.2)(677.4213, 697.59)(678.4281, 3253.01) 1 675.4073 675.4073@6.5866003 + 568.3353@6.604504 6.604504 (569.3426, 15323.57)(570.3522, 7622.18)(571.357, 2142.28) 1 568.3353 568.3353@6.604504 + 787.4641@6.6532407 6.6532407 (788.47, 2023.99)(810.4547, 1902.68)(811.457, 1157.6)(812.4664, 3401.67)(813.4646, 1374.6)(814.448, 757.25) 1 787.4641 787.4641@6.6532407 + 645.3615@6.662094 6.662094 (646.3697, 7886.41)(647.3779, 3280.855)(648.3854, 2377.41) 2 645.3615 645.3615@6.662094 + 129.0427@6.66816 6.66816 (130.0499, 4559.0) 1 129.0427 129.0427@6.66816 + 251.094@6.675122 6.675122 (252.1013, 1567.19) 1 251.094 251.094@6.675122 + 757.4179@6.6990786 6.6990786 (758.4276, 2325.825)(759.42755, 1231.39)(760.44446, 1678.44) 2 757.4179 757.4179@6.6990786 + 537.3402@6.685068 6.685068 (538.3474, 1393.47)(539.3446, 714.54) 1 537.3402 537.3402@6.685068 + 989.5072@6.698245 6.698245 (990.5177, 744.775)(991.5264, 652.35)(992.5313, 714.84) 2 989.5072 989.5072@6.698245 + 593.3689@6.7044463 6.7044463 (594.3759, 5146.025)(595.3815, 2140.65)(596.3899, 10392.984)(597.3964, 5323.31)(616.3591, 3618.22)(617.3707, 1187.37) 2 593.3689 593.3689@6.7044463 + 870.5667@6.7037206 6.7037206 (871.57227, 3273.055)(872.56573, 885.39)(873.5702, 380.71) 2 870.5667 870.5667@6.7037206 + 1060.6462@6.7187867 6.7187867 (1061.6532, 46041.426)(1062.6572, 26936.844)(1063.6681, 25009.207)(1064.6738, 20611.51) 2 1060.6462 1060.6462@6.7187867 + 707.4322@6.72684 6.72684 (708.4395, 6939.4)(709.4457, 1510.31) 1 707.4322 707.4322@6.72684 + 1209.7452@6.740764 6.740764 (1210.7524, 1442.68)(1211.7468, 1479.25)(1212.7502, 1233.9) 1 1209.7452 1209.7452@6.740764 + 709.4515@6.743014 6.743014 (710.45776, 6806.7563)(711.462, 3058.6633)(712.4451, 1189.53) 6 709.4515 709.4515@6.743014 + 1079.6974@6.7584376 6.7584376 (1080.6965, 5389.24)(1081.6924, 4895.98)(1082.6975, 3425.48) 2 1079.6974 1079.6974@6.7584376 + 1139.211@6.747726 6.747726 (1140.2184, 1506.01) 1 1139.211 1139.211@6.747726 + 1132.728@6.753737 6.753737 (1133.7297, 2732.168)(1134.7289, 1840.0801)(1155.7168, 2488.2869)(1156.7181, 2047.1732)(1157.717, 1243.35) 5 1132.728 1132.728@6.753737 + 1047.7301@6.751105 6.751105 (1048.7373, 175177.03)(1049.7402, 59138.438)(1050.7424, 14748.994)(1051.744, 3232.52) 5 1047.7301 1047.7301@6.751105 + 1124.6914@6.7209373 6.7209373 (1125.7018, 2140.1934)(1126.7028, 1350.7599)(1127.6741, 1930.5) 3 1124.6914 1124.6914@6.7209373 + 1128.6781@6.7539515 6.7539515 (1129.685, 1781.0067)(1130.6925, 1612.6133)(1131.7087, 1692.7233) 3 1128.6781 1128.6781@6.7539515 + 1097.1805@6.755886 6.755886 (1098.1877, 2230.5251)(1099.1909, 2056.54)(1100.1788, 1804.5099)(1120.1808, 1140.98) 6 1097.1805 1097.1805@6.755886 + 1108.1769@6.7666216 6.7666216 (1109.1841, 1298.05)(1110.1884, 1313.4)(1111.1917, 1274.22) 1 1108.1769 1108.1769@6.7666216 + 782.4417@6.7666216 6.7666216 (783.4496, 962.02)(765.4381, 2050.45)(766.4405, 1132.12) 1 782.4417 782.4417@6.7666216 + 684.3703@6.7635775 6.7635775 (685.3784, 1850.6699)(686.3788, 925.025) 2 684.3703 684.3703@6.7635775 + 1118.6945@6.772359 6.772359 (1119.708, 4096.42)(1120.7156, 2316.895)(1121.6774, 2899.46)(1122.6829, 1691.9)(1123.6893, 1966.57)(1101.6888, 3163.99)(1141.6982, 5344.84)(1142.7006, 3322.73)(1143.6942, 1721.4) 2 1118.6945 1118.6945@6.772359 + 1065.6814@6.7743793 6.7743793 (1066.6888, 85010.49) 6 1065.6814 1065.6814@6.7743793 + 1115.1604@6.7491493 6.7491493 (1116.18, 1023.79)(1117.1865, 1377.79)(1118.1953, 854.28)(1098.1552, 6643.96)(1099.1671, 4078.25)(1100.1729, 4918.41)(1101.18, 3452.06)(1102.1857, 4254.16)(1138.162, 667.03) 2 1115.1604 1115.1604@6.7491493 + 1324.8431@6.7594275 6.7594275 (1325.8502, 2646.32)(1326.8566, 3781.6548)(1327.8665, 5281.87)(1347.8372, 2586.62)(1348.8416, 1985.76)(1349.852, 2133.28) 3 1324.8431 1324.8431@6.7594275 + 798.5123@6.745043 6.745043 (799.5122, 2035.2776)(800.50635, 1204.8933)(801.5106, 1377.15)(821.5046, 3335.08)(822.498, 2087.88) 4 798.5123 798.5123@6.745043 + 1138.6882@6.725576 6.725576 (1139.6967, 3180.3835)(1140.6976, 1925.18)(1141.7092, 3380.0242)(1142.707, 1873.9675)(1143.709, 1197.875)(1161.6705, 1002.98) 6 1138.6882 1138.6882@6.725576 + 853.0073@6.7492714 6.7492714 (854.0115, 1256.5076)(855.00757, 1253.7101)(856.01263, 1081.1633) 4 853.0073 853.0073@6.7492714 + 1163.6724@6.784523 6.784523 (1164.6797, 1012.92)(1165.6951, 939.67)(1166.6823, 991.32) 1 1163.6724 1163.6724@6.784523 + 534.2948@6.812585 6.812585 (535.31274, 12657.456)(536.3071, 5669.35)(537.3172, 1481.515) 5 534.2948 534.2948@6.812585 + 778.4854@6.8027 6.8027 (779.4927, 3980.8)(780.49634, 2540.125)(781.4854, 1048.71) 2 778.4854 778.4854@6.8027 + 815.4611@6.865076 6.865076 (816.4684, 833.18)(817.47, 1102.3) 1 815.4611 815.4611@6.865076 + 839.4516@6.870048 6.870048 (840.4605, 563.28)(841.4744, 646.05)(842.4616, 916.52)(857.4835, 686.25) 1 839.4516 839.4516@6.870048 + 612.39@6.8720374 6.8720374 (613.3972, 1742.25)(614.402, 1046.54) 1 612.39 612.39@6.8720374 + 729.3974@6.87428 6.87428 (730.39923, 1747.145)(731.40424, 817.13245)(732.405, 998.26) 4 729.3974 729.3974@6.87428 + 801.4426@6.8644743 6.8644743 (802.4509, 1621.225)(803.45355, 901.06006)(804.4675, 1021.44) 2 801.4426 801.4426@6.8644743 + 923.5115@6.8760147 6.8760147 (924.5187, 1193.4)(925.5174, 548.38) 1 923.5115 923.5115@6.8760147 + 771.4299@6.8827887 6.8827887 (772.43665, 2526.0898)(773.4404, 1122.9076)(774.45, 1747.6934)(775.4473, 332.62)(754.4207, 929.49)(755.4316, 801.29) 4 771.4299 771.4299@6.8827887 + 631.2628@6.8876038 6.8876038 (632.26984, 2601.791)(633.2737, 904.0613)(634.27026, 1098.5525) 9 631.2628 631.2628@6.8876038 + 705.366@6.896898 6.896898 (706.3735, 1951.89)(707.3937, 830.7)(728.3542, 721.86) 1 705.366 705.366@6.896898 + 724.434@6.905848 6.905848 (725.4413, 2633.28)(726.4473, 1857.21) 1 724.434 724.434@6.905848 + 632.3804@7.036971 7.036971 (633.3866, 1304.415)(634.3843, 817.725) 2 632.3804 632.3804@7.036971 + 163.0638@7.094615 7.094615 (164.0713, 4750.325)(165.072, 1084.26) 2 163.0638 163.0638@7.094615 + 957.5141@7.1653657 7.1653657 (958.5214, 1475.36)(959.527, 1307.14) 1 957.5141 957.5141@7.1653657 + 787.4237@7.1663604 7.1663604 (788.431, 1496.99)(789.4355, 1068.35) 1 787.4237 787.4237@7.1663604 + 763.4104@7.170337 7.170337 (764.4177, 2073.1)(765.4348, 1091.77) 1 763.4104 763.4104@7.170337 + 665.3107@7.17332 7.17332 (666.318, 1218.5)(667.3199, 519.5) 1 665.3107 665.3107@7.17332 + 584.3151@7.1844544 7.1844544 (585.32227, 8202.047)(586.3239, 1360.37)(567.3118, 1145.91) 3 584.3151 584.3151@7.1844544 + 239.114@7.286656 7.286656 (240.1213, 2757.01) 1 239.114 239.114@7.286656 + 625.2697@7.262494 7.262494 (626.28204, 2356.9175)(627.2865, 1043.955)(628.29114, 2188.1375)(629.2905, 996.29) 4 625.2697 625.2697@7.262494 + 459.1519@7.2948785 7.2948785 (460.15994, 1464.9366) 3 459.1519 459.1519@7.2948785 + 549.3068@7.2989526 7.2989526 (550.31366, 4485.82)(551.32544, 1503.4567)(572.29614, 2315.825)(573.29816, 921.97)(574.3112, 21117.74) 3 549.3068 549.3068@7.2989526 + 439.2332@7.3452168 7.3452168 (440.2402, 2870.6436)(441.2447, 1035.4425)(462.2223, 604.04) 6 439.2332 439.2332@7.3452168 + 567.3183@7.388042 7.388042 (568.3242, 13024.663)(569.3282, 3962.3245)(570.3321, 1333.75)(590.30835, 10989.987)(591.312, 4272.9604) 11 567.3183 567.3183@7.388042 + 577.3481@7.4705577 7.4705577 (578.3554, 1684.05)(579.3606, 953.34) 1 577.3481 577.3481@7.4705577 + 653.2847@7.5063415 7.5063415 (654.292, 939.54) 1 653.2847 653.2847@7.5063415 + 449.2166@7.610704 7.610704 (450.2239, 1262.74) 1 449.2166 449.2166@7.610704 + 599.3067@7.641871 7.641871 (600.31384, 3483.9033)(601.3179, 1312.985)(602.3268, 1243.6) 3 599.3067 599.3067@7.641871 + 499.1978@7.6663604 7.6663604 (500.2051, 1812.61) 1 499.1978 499.1978@7.6663604 + 669.2884@7.6850324 7.6850324 (670.2944, 2069.5566)(671.29834, 1114.235)(672.3023, 431.19) 3 669.2884 669.2884@7.6850324 + 610.3292@7.7071075 7.7071075 (611.3365, 2160.46)(612.3519, 912.09) 1 610.3292 610.3292@7.7071075 + 449.1779@7.7304077 7.7304077 (450.1844, 2644.075)(451.1891, 934.19) 2 449.1779 449.1779@7.7304077 + 158.0696@7.7816424 7.7816424 (159.0769, 1438.74) 1 158.0696 158.0696@7.7816424 + 244.1527@7.9209423 7.9209423 (245.1604, 1587.51) 4 244.1527 244.1527@7.9209423 + 610.3529@8.019604 8.019604 (611.3596, 2211.605)(612.3583, 1099.54)(613.3596, 1189.76) 2 610.3529 610.3529@8.019604 + 589.3007@8.07477 8.07477 (590.308, 1750.78)(591.3118, 715.77) 1 589.3007 589.3007@8.07477 + 240.1475@8.480141 8.480141 (241.15472, 11875.295)(242.15814, 1596.87) 4 240.1475 240.1475@8.480141 + 550.3151@10.124879 10.124879 (551.3224, 2453.82) 1 550.3151 550.3151@10.124879 + 286.0841@0.73645043 0.73645043 (287.0914, 2723.1099)(288.1019, 645.09)(269.0813, 1353.64) 2 286.0841 286.0841@0.73645043 + 940.1691@0.8850663 0.8850663 (941.1764, 1544.25)(942.1754, 1188.43) 1 940.1691 940.1691@0.8850663 + 1335.2493@0.88565624 0.88565624 (1336.2551, 2202.135)(1337.2463, 1572.48)(1338.2234, 3040.405)(1339.2194, 1883.12)(1340.2198, 1115.92) 2 1335.2493 1335.2493@0.88565624 + 789.1388@0.8863165 0.8863165 (1596.3091, 1875.835)(1597.3083, 2086.5)(1598.3066, 1788.665)(1601.2784, 1122.19)(790.1458, 3523.8196)(791.1473, 1134.6667)(792.14526, 1076.775)(807.17316, 10815.333)(808.1743, 4570.12)(809.17114, 2630.3733)(812.1285, 4189.47)(813.13055, 1442.2666)(814.1255, 1003.68) 3 789.1388 789.1388@0.8863165 + 809.1585@0.8880667 0.8880667 (810.1658, 1419.02)(811.1539, 923.54) 1 809.1585 809.1585@0.8880667 + 804.003@0.88943636 0.88943636 (805.01025, 2037.182)(806.0132, 1076.4775)(822.0374, 1363.9332)(823.0228, 1682.93)(826.9927, 910.48) 5 804.003 804.003@0.88943636 + 557.9829@0.89015746 0.89015746 (558.99036, 5218.115)(559.9933, 1447.245)(560.98926, 1065.82) 2 557.9829 557.9829@0.89015746 + 235.0145@0.9720865 0.9720865 (236.0221, 5649.685)(237.0256, 628.44)(253.0454, 771.68)(258.005, 1109.245) 2 235.0145 235.0145@0.9720865 + 853.2424@1.0071813 1.0071813 (854.24927, 13317.083)(855.2481, 5843.2104)(856.245, 2341.8599) 3 853.2424 853.2424@1.0071813 + 850.2457@1.0075146 1.0075146 (851.25275, 55947.035)(852.2509, 47028.285)(853.2505, 25211.865) 3 850.2457 850.2457@1.0075146 + 531.432@1.0125476 1.0125476 (532.4387, 82421.945)(533.443, 28237.307)(534.4423, 11892.061)(535.44226, 3278.99) 3 531.432 531.432@1.0125476 + 705.2036@1.0245453 1.0245453 (706.21136, 9749.399)(707.21045, 3692.25)(708.2054, 1483.0449) 3 705.2036 705.2036@1.0245453 + 322.0707@1.0260862 1.0260862 (323.078, 1588.99) 1 322.0707 322.0707@1.0260862 + 893.4783@1.0420886 1.0420886 (894.4856, 2909.02)(895.4884, 1833.12) 1 893.4783 893.4783@1.0420886 + 920.3042@1.0353758 1.0353758 (921.3115, 2028.6001) 2 920.3042 920.3042@1.0353758 + 1584.2529@1.0540904 1.0540904 (1585.2603, 2114.06)(1586.256, 1867.2)(1587.2568, 1519.02) 1 1584.2529 1584.2529@1.0540904 + 378.235@1.110071 1.110071 (379.2419, 3342.075)(380.241, 1501.7)(401.2229, 3805.98) 2 378.235 378.235@1.110071 + 641.4514@1.0578955 1.0578955 (642.45404, 1936.8501)(643.4432, 1208.75)(624.44775, 8628.505)(625.452, 4350.355)(626.4596, 3760.49) 2 641.4514 641.4514@1.0578955 + 374.2455@1.0728252 1.0728252 (375.25385, 2309.085) 2 374.2455 374.2455@1.0728252 + 479.2256@1.0740933 1.0740933 (480.2329, 18662.35)(481.2379, 4635.94)(482.232, 1759.16) 1 479.2256 479.2256@1.0740933 + 534.4629@1.0744469 1.0744469 (535.47046, 2283.6274) 4 534.4629 534.4629@1.0744469 + 394.3465@1.1148138 1.1148138 (806.7219, 1256.15)(807.7252, 878.005)(808.7385, 1733.04)(809.7419, 479.64)(810.751, 780.42)(395.3524, 3013.2458)(396.34985, 2143.215)(417.33463, 6876.25) 7 394.3465 394.3465@1.1148138 + 630.5239@1.0780939 1.0780939 (631.5312, 5980.34) 1 630.5239 630.5239@1.0780939 + 659.3866@1.0790942 1.0790942 (660.3939, 1523.22)(661.4153, 1286.57) 1 659.3866 659.3866@1.0790942 + 451.1957@1.0790942 1.0790942 (452.2029, 5941.98)(453.2096, 1986.21) 1 451.1957 451.1957@1.0790942 + 767.4729@1.0800931 1.0800931 (768.48303, 909.585)(769.501, 644.125) 2 767.4729 767.4729@1.0800931 + 507.3551@1.0800943 1.0800943 (508.3624, 3374.33) 1 507.3551 507.3551@1.0800943 + 423.1751@1.0834342 1.0834342 (424.18475, 1284.03)(441.2109, 2458.0874)(442.2008, 2010.6) 5 423.1751 423.1751@1.0834342 + 897.7769@1.0798967 1.0798967 (898.78394, 10507.195)(899.78784, 6325.399)(900.7957, 4086.248)(901.8023, 3880.33)(920.7698, 2425.24)(921.77295, 1697.1)(922.784, 3342.9934)(923.7864, 2308.63)(924.7973, 1417.08) 8 897.7769 897.7769@1.0798967 + 825.4526@1.0810944 1.0810944 (826.4598, 7218.61)(827.4634, 3710.68)(828.462, 1441.45) 1 825.4526 825.4526@1.0810944 + 560.478@1.079884 1.079884 (561.4805, 3903.5)(562.4776, 2002.8801)(563.4991, 1250.12) 2 560.478 560.478@1.079884 + 755.5206@1.09182 1.09182 (756.5314, 1534.4924)(757.52563, 1105.4366)(778.5065, 1116.815)(779.492, 1058.62) 4 755.5206 755.5206@1.09182 + 270.2187@1.1073041 1.1073041 (541.4474, 2276.92)(563.42883, 3101.815)(271.22562, 1917.6442)(253.2154, 7421.71)(254.218, 1314.76)(288.2529, 3589.1633) 5 270.2187 270.2187@1.1073041 + 439.2946@1.0894504 1.0894504 (440.3022, 4356.98) 2 439.2946 439.2946@1.0894504 + 778.5366@1.0912815 1.0912815 (779.54395, 2158.077)(780.5417, 1861.945)(781.5402, 1275.715) 3 778.5366 778.5366@1.0912815 + 807.7306@1.0892832 1.0892832 (808.7375, 3965.9712)(809.7407, 2133.8887)(810.7468, 1669.325) 7 807.7306 807.7306@1.0892832 + 834.7476@1.0920962 1.0920962 (835.7549, 880.85)(836.7516, 634.67) 1 834.7476 834.7476@1.0920962 + 462.2637@1.1110325 1.1110325 (463.26752, 1780.91)(445.2607, 3847.26) 2 462.2637 462.2637@1.1110325 + 346.2567@1.0898432 1.0898432 (347.2622, 6813.547)(348.26627, 2329.8499)(349.2736, 10584.93)(350.2808, 2714.89)(351.2884, 2994.61) 3 346.2567 346.2567@1.0898432 + 763.5305@1.0870943 1.0870943 (764.5384, 1233.8201)(765.53827, 992.25) 2 763.5305 763.5305@1.0870943 + 287.1063@1.1079128 1.1079128 (288.11383, 1999.9274)(289.1108, 886.72) 4 287.1063 287.1063@1.1079128 + 199.0843@1.1152258 1.1152258 (200.0917, 7428.66)(201.0961, 1075.36) 2 199.0843 199.0843@1.1152258 + 606.4486@1.1019582 1.1019582 (607.4586, 2604.235)(608.46, 1849.09)(609.4679, 3342.31)(624.4821, 5485.58)(625.4801, 3492.57)(626.4906, 5443.45) 2 606.4486 606.4486@1.1019582 + 483.3569@1.1206099 1.1206099 (484.36285, 5045.8)(485.3548, 3313.12)(486.3756, 4460.38)(501.3918, 4468.15) 2 483.3569 483.3569@1.1206099 + 303.101@1.120628 1.120628 (304.10883, 3906.803)(305.11084, 1353.7725) 7 303.101 303.101@1.120628 + 746.5134@1.1263187 1.1263187 (747.5177, 1460.255)(769.5039, 842.49) 2 746.5134 746.5134@1.1263187 + 408.3129@1.107332 1.107332 (817.6471, 779.93)(409.3247, 4796.42)(410.3241, 2877.2) 2 408.3129 408.3129@1.107332 + 371.265@1.1066601 1.1066601 (372.27264, 4523.8423)(373.2745, 1817.0299)(394.25665, 16299.575) 5 371.265 371.265@1.1066601 + 390.2373@1.1341027 1.1341027 (391.2445, 25858.96)(392.2399, 16463.71) 1 390.2373 390.2373@1.1341027 + 66.0467@1.1454518 1.1454518 (67.054, 1396.8049) 2 66.0467 66.0467@1.1454518 + 411.2007@1.1461047 1.1461047 (412.2079, 9449.3)(413.2078, 4672.54) 1 411.2007 411.2007@1.1461047 + 571.5166@1.1232604 1.1232604 (572.5217, 1490.1375)(573.52423, 896.3133)(594.5048, 1148.89) 4 571.5166 571.5166@1.1232604 + 324.2666@1.1561062 1.1561062 (325.2739, 10543.69)(326.2753, 2293.0) 1 324.2666 324.2666@1.1561062 + 515.382@1.1486864 1.1486864 (516.3885, 6963.4775)(517.3881, 4080.75)(518.37585, 3673.5698) 4 515.382 515.382@1.1486864 + 638.1639@1.1601069 1.1601069 (639.1712, 1967.68)(640.1743, 867.5) 1 638.1639 638.1639@1.1601069 + 196.0666@1.1628577 1.1628577 (197.07416, 1752.065)(179.06345, 17984.186)(180.06955, 2263.17) 2 196.0666 196.0666@1.1628577 + 326.2989@1.1691084 1.1691084 (327.3062, 2783.37) 1 326.2989 326.2989@1.1691084 + 248.1408@1.1470678 1.1470678 (249.1489, 5102.072)(250.1508, 1700.88)(231.1383, 2464.15) 5 248.1408 248.1408@1.1470678 + 873.7761@1.2121154 1.2121154 (874.7834, 1419.67)(875.7913, 1223.75)(876.7982, 1714.62) 1 873.7761 873.7761@1.2121154 + 360.2299@1.1524395 1.1524395 (361.23914, 4921.5786)(378.26285, 8926.005)(379.2559, 3262.85)(380.2504, 5015.64)(383.22073, 2380.0266) 6 360.2299 360.2299@1.1524395 + 919.5554@1.2191166 1.2191166 (920.5627, 1107.39) 1 919.5554 919.5554@1.2191166 + 663.494@1.2481903 1.2481903 (664.5004, 2542.8433)(665.4981, 1147.71) 3 663.494 663.494@1.2481903 + 406.2374@1.252122 1.252122 (407.2453, 3330.93)(429.2259, 4791.1) 1 406.2374 406.2374@1.252122 + 794.5563@1.252122 1.252122 (795.5636, 984.69)(796.5624, 783.45)(797.5722, 863.23) 1 794.5563 794.5563@1.252122 + 345.2511@1.2555425 1.2555425 (691.5121, 659.07)(346.2593, 6828.675)(347.2611, 2790.33) 2 345.2511 345.2511@1.2555425 + 448.2428@1.2041392 1.2041392 (449.251, 2127.0999)(450.2489, 1015.69) 4 448.2428 448.2428@1.2041392 + 576.4231@1.2514096 1.2514096 (577.4281, 2252.4849) 2 576.4231 576.4231@1.2514096 + 620.4852@1.2873886 1.2873886 (621.4866, 1628.02)(622.4956, 923.515) 2 620.4852 620.4852@1.2873886 + 867.6389@1.2577028 1.2577028 (868.64484, 1786.302)(869.64966, 1093.635) 5 867.6389 867.6389@1.2577028 + 529.4313@1.2575428 1.2575428 (530.43964, 942.13)(512.4278, 8217.06)(513.4301, 2982.49)(514.4353, 1436.47)(552.4141, 3459.43) 2 529.4313 529.4313@1.2575428 + 810.1002@1.25886 1.25886 (811.1062, 3036.23)(812.106, 1237.14) 5 810.1002 810.1002@1.25886 + 545.4893@1.2571229 1.2571229 (546.4994, 1605.94)(568.4779, 8227.15)(569.4855, 5666.75)(570.4586, 6199.3) 1 545.4893 545.4893@1.2571229 + 500.2805@1.2571229 1.2571229 (501.2878, 1537.45) 1 500.2805 500.2805@1.2571229 + 123.0335@1.262043 1.262043 (247.07211, 4933.13)(248.0784, 703.95)(124.0413, 6290.14)(125.043, 794.28) 2 123.0335 123.0335@1.262043 + 490.3661@1.2660753 1.2660753 (491.37317, 7998.1846)(492.3765, 4796.98)(493.3714, 2000.16) 4 490.3661 490.3661@1.2660753 + 773.5767@1.2591232 1.2591232 (774.5839, 2792.89)(775.5899, 1168.4)(776.5944, 906.6) 1 773.5767 773.5767@1.2591232 + 564.7539@1.2601235 1.2601235 (565.7612, 1467.62) 1 564.7539 564.7539@1.2601235 + 490.8679@1.2601235 1.2601235 (491.8752, 7477.55) 1 490.8679 490.8679@1.2601235 + 263.1518@1.2627753 1.2627753 (264.1584, 13226.5625) 4 263.1518 263.1518@1.2627753 + 802.5933@1.263124 1.263124 (803.6005, 2335.28)(804.6083, 1880.27) 1 802.5933 802.5933@1.263124 + 745.0484@1.263124 1.263124 (746.0557, 2554.45) 1 745.0484 745.0484@1.263124 + 744.554@1.3255935 1.3255935 (745.56055, 2679.06)(746.5583, 1827.685)(747.5681, 1252.76) 2 744.554 744.554@1.3255935 + 687.0076@1.2671247 1.2671247 (688.0149, 2810.98)(689.0179, 804.04) 1 687.0076 687.0076@1.2671247 + 657.9858@1.3274992 1.3274992 (658.99304, 2112.2002) 2 657.9858 657.9858@1.3274992 + 345.1117@1.2887822 1.2887822 (346.12073, 2099.275)(347.1215, 1370.76) 2 345.1117 345.1117@1.2887822 + 305.1176@1.3121325 1.3121325 (306.1248, 4441.69) 1 305.1176 305.1176@1.3121325 + 294.168@1.3220468 1.3220468 (295.1741, 5024.31)(296.17645, 2010.465)(312.2022, 28860.74)(313.2036, 5839.84)(314.199, 2253.69) 2 294.168 294.168@1.3220468 + 210.1364@1.3351678 1.3351678 (443.2568, 802.76)(211.14328, 7840.207) 4 210.1364 210.1364@1.3351678 + 599.4456@1.3465044 1.3465044 (600.45215, 3103.845)(601.4535, 1476.14)(602.4479, 1274.88) 2 599.4456 599.4456@1.3465044 + 195.0897@1.3281351 1.3281351 (196.0978, 2231.83)(178.0862, 8036.95)(179.086, 2334.16) 1 195.0897 195.0897@1.3281351 + 292.1388@1.3506365 1.3506365 (293.1474, 4567.545)(315.1281, 989.68) 2 292.1388 292.1388@1.3506365 + 374.2688@1.3621413 1.3621413 (375.2749, 1059.41)(357.2622, 632.79)(397.2598, 1597.37) 1 374.2688 374.2688@1.3621413 + 247.0846@1.3777323 1.3777323 (248.09256, 4706.875)(270.07755, 956.995) 2 247.0846 247.0846@1.3777323 + 416.3004@1.3961625 1.3961625 (417.305, 2033.2051)(418.3153, 788.54)(419.3151, 2703.51)(434.33173, 845.83496) 4 416.3004 416.3004@1.3961625 + 222.0895@1.399148 1.399148 (445.1845, 1401.82)(446.1983, 633.65)(223.098, 2220.08)(240.1237, 2475.84) 1 222.0895 222.0895@1.399148 + 563.4154@1.4111501 1.4111501 (564.4226, 1741.73)(565.4218, 702.15) 1 563.4154 563.4154@1.4111501 + 766.5575@1.4871638 1.4871638 (767.56396, 1831.185)(768.5711, 1096.41) 2 766.5575 766.5575@1.4871638 + 863.519@1.4441562 1.4441562 (864.5262, 3376.92)(865.528, 1403.56)(866.5323, 852.29) 1 863.519 863.519@1.4441562 + 708.5189@1.4875044 1.4875044 (709.52496, 2372.48)(710.53033, 1051.0801) 2 708.5189 708.5189@1.4875044 + 650.4768@1.4800057 1.4800057 (651.4843, 3184.5952)(652.49023, 1355.245) 2 650.4768 650.4768@1.4800057 + 285.0909@1.4855484 1.4855484 (286.0998, 2220.185)(287.0998, 1042.36) 4 285.0909 285.0909@1.4855484 + 223.1215@1.4521577 1.4521577 (224.1288, 14510.01) 1 223.1215 223.1215@1.4521577 + 469.8017@1.4551582 1.4551582 (470.8089, 1388.67) 1 469.8017 469.8017@1.4551582 + 412.01@1.4671605 1.4671605 (413.0173, 1028.34) 1 412.01 412.01@1.4671605 + 284.1188@1.4941655 1.4941655 (285.126, 4316.91)(286.1254, 1738.33) 1 284.1188 284.1188@1.4941655 + 290.136@1.5196669 1.5196669 (291.1437, 5218.23)(292.1522, 1158.44) 2 290.136 290.136@1.5196669 + 299.1949@1.5410601 1.5410601 (300.20102, 2735.7031)(301.20483, 1779.675)(302.195, 680.485)(282.19144, 13064.851)(283.18774, 3159.9465) 3 299.1949 299.1949@1.5410601 + 1171.333@1.5761812 1.5761812 (1172.3402, 1349.7)(1173.3385, 860.38) 1 1171.333 1171.333@1.5761812 + 872.2595@1.5771815 1.5771815 (873.2668, 2625.87)(874.267, 2556.4)(875.2655, 2693.16)(876.2657, 1308.93)(877.2645, 617.26) 1 872.2595 872.2595@1.5771815 + 946.2785@1.5781816 1.5781816 (947.2858, 3863.74)(948.2864, 3068.6)(949.2842, 3206.33) 1 946.2785 946.2785@1.5781816 + 1020.2965@1.5781816 1.5781816 (1021.3037, 3111.87)(1022.3046, 2790.03)(1023.3021, 2685.83)(1024.3013, 1264.32) 1 1020.2965 1020.2965@1.5781816 + 798.2398@1.5781816 1.5781816 (799.2471, 1360.52)(800.2511, 1074.29)(801.247, 895.26) 1 798.2398 798.2398@1.5781816 + 521.0536@1.5801821 1.5801821 (522.0608, 1607.23)(523.0592, 646.74) 1 521.0536 521.0536@1.5801821 + 480.2181@1.5903516 1.5903516 (481.22687, 1343.475)(482.2208, 536.69) 2 480.2181 480.2181@1.5903516 + 532.1596@1.5889606 1.5889606 (533.16656, 1495.6412) 8 532.1596 532.1596@1.5889606 + 268.09@1.6642272 1.6642272 (269.0971, 2584.385)(270.10187, 729.78) 2 268.09 268.09@1.6642272 + 110.0482@1.6664176 1.6664176 (111.0555, 13470.295)(112.05555, 1185.4349) 2 110.0482 110.0482@1.6664176 + 244.084@1.6980151 1.6980151 (245.09215, 5914.15)(246.09546, 1412.745) 2 244.084 244.084@1.6980151 + 159.0684@1.7094449 1.7094449 (160.07574, 10854.599)(161.07817, 1508.5625)(142.06595, 1193.635) 8 159.0684 159.0684@1.7094449 + 227.1183@1.7154752 1.7154752 (228.12494, 1458.2432)(210.11504, 17840.047)(211.11581, 1754.9751) 3 227.1183 227.1183@1.7154752 + 759.554@1.7232106 1.7232106 (760.5613, 1026.68)(761.5623, 800.09) 1 759.554 759.554@1.7232106 + 325.1738@1.7772216 1.7772216 (326.1811, 2851.79) 1 325.1738 325.1738@1.7772216 + 907.3781@1.8092283 1.8092283 (908.3854, 1153.85)(909.374, 748.85) 1 907.3781 907.3781@1.8092283 + 507.3399@1.8522373 1.8522373 (508.3472, 2157.96)(509.3481, 1038.96) 1 507.3399 507.3399@1.8522373 + 349.0771@1.8591114 1.8591114 (350.08463, 1635.2802)(351.0977, 645.31) 3 349.0771 349.0771@1.8591114 + 458.1323@1.899164 1.899164 (459.1398, 2073.275)(460.1475, 772.87) 2 458.1323 458.1323@1.899164 + 403.2562@1.9735336 1.9735336 (404.26352, 1910.2133)(405.26428, 744.0933) 3 403.2562 403.2562@1.9735336 + 724.0269@1.9712627 1.9712627 (725.0342, 1209.92) 1 724.0269 724.0269@1.9712627 + 585.9276@1.9882665 1.9882665 (586.9349, 1136.45) 1 585.9276 585.9276@1.9882665 + 229.1676@2.0112715 2.0112715 (230.1749, 3104.97)(231.1743, 732.37) 1 229.1676 229.1676@2.0112715 + 208.085@2.0302756 2.0302756 (209.0923, 13029.37)(210.1035, 1739.46) 1 208.085 208.085@2.0302756 + 1024.2793@2.1062922 2.1062922 (1025.2866, 983.79)(1026.282, 814.28) 1 1024.2793 1024.2793@2.1062922 + 505.0902@2.1463013 2.1463013 (506.0975, 1108.91) 1 505.0902 505.0902@2.1463013 + 409.1581@2.153303 2.153303 (410.1654, 1377.61)(411.1676, 685.3) 1 409.1581 409.1581@2.153303 + 499.1364@2.1603045 2.1603045 (500.1437, 1318.5) 1 499.1364 499.1364@2.1603045 + 355.0725@2.1733074 2.1733074 (356.0798, 1498.08) 1 355.0725 355.0725@2.1733074 + 440.842@2.2303202 2.2303202 (441.8493, 2257.18) 1 440.842 440.842@2.2303202 + 438.8445@2.2303202 2.2303202 (439.8517, 2379.19) 1 438.8445 438.8445@2.2303202 + 386.193@2.2857385 2.2857385 (387.19998, 2249.502)(369.1896, 3410.0051)(404.2313, 593.13) 10 386.193 386.193@2.2857385 + 303.1341@2.2873015 2.2873015 (304.14154, 1614.6326) 4 303.1341 303.1341@2.2873015 + 226.0591@2.2923067 2.2923067 (227.06865, 1537.1349)(209.05559, 19642.04)(210.05925, 2206.4688) 8 226.0591 226.0591@2.2923067 + 245.2139@2.3293426 2.3293426 (246.2211, 1243.13) 1 245.2139 245.2139@2.3293426 + 251.1521@2.4333665 2.4333665 (252.1594, 4474.76)(253.1621, 937.38)(254.1602, 1252.39) 1 251.1521 251.1521@2.4333665 + 271.1782@2.5775015 2.5775015 (272.18546, 7290.5317)(273.18887, 1441.7152) 6 271.1782 271.1782@2.5775015 + 393.1249@2.639386 2.639386 (394.13214, 4948.4424)(395.13635, 1238.7949) 5 393.1249 393.1249@2.639386 + 1199.0715@2.6720784 2.6720784 (1200.0785, 1291.8033) 3 1199.0715 1199.0715@2.6720784 + 502.0436@2.7037804 2.7037804 (503.05026, 1090.4401) 4 502.0436 502.0436@2.7037804 + 457.412@2.9034758 2.9034758 (458.4193, 1258.97) 1 457.412 457.412@2.9034758 + 175.0844@2.9824939 2.9824939 (176.0909, 2904.16)(158.0813, 7429.54)(159.0822, 1148.57) 1 175.0844 175.0844@2.9824939 + 240.1007@2.957344 2.957344 (241.10791, 16986.23) 2 240.1007 240.1007@2.957344 + 228.043@2.9946117 2.9946117 (229.05014, 1838.282)(230.0539, 538.45) 5 228.043 228.043@2.9946117 + 464.1449@3.0425076 3.0425076 (465.1521, 1363.72) 1 464.1449 464.1449@3.0425076 + 228.0435@3.0435078 3.0435078 (229.0508, 1619.67) 1 228.0435 228.0435@3.0435078 + 500.1651@3.0575109 3.0575109 (501.1724, 1705.48) 1 500.1651 500.1651@3.0575109 + 114.0427@3.0595114 3.0595114 (115.0497, 2384.29)(97.0395, 13352.16)(98.0422, 1222.51) 1 114.0427 114.0427@3.0595114 + 470.1259@3.0639625 3.0639625 (471.13287, 2184.2852) 2 470.1259 470.1259@3.0639625 + 230.0738@3.0785158 3.0785158 (231.0813, 4481.66)(248.1052, 686.57) 1 230.0738 230.0738@3.0785158 + 598.0835@3.0810008 3.0810008 (599.09076, 2414.745)(600.0937, 1459.435)(601.0886, 1701.4851) 2 598.0835 598.0835@3.0810008 + 657.1795@3.0835168 3.0835168 (658.1868, 1868.11) 1 657.1795 657.1795@3.0835168 + 543.0656@3.0634964 3.0634964 (544.0735, 1803.06)(545.0759, 878.08) 3 543.0656 543.0656@3.0634964 + 559.146@3.092519 3.092519 (560.1533, 5183.46)(561.1539, 1258.99)(562.1668, 1022.8) 1 559.146 559.146@3.092519 + 291.0658@3.0757306 3.0757306 (292.073, 8953.77)(293.0758, 1471.415) 2 291.0658 291.0658@3.0757306 + 348.0208@3.1062636 3.1062636 (349.02808, 2023.665) 2 348.0208 348.0208@3.1062636 + 415.0946@3.1155243 3.1155243 (416.1018, 1551.56) 1 415.0946 415.0946@3.1155243 + 82.0419@3.14913 3.14913 (83.0494, 2248.51)(105.0339, 706.48) 2 82.0419 82.0419@3.14913 + 454.1492@3.1518314 3.1518314 (455.1565, 3870.3066) 3 454.1492 454.1492@3.1518314 + 514.199@3.1765382 3.1765382 (515.2062, 2496.81) 1 514.199 514.199@3.1765382 + 179.0818@3.3186646 3.3186646 (180.0893, 10100.08)(181.0966, 997.54) 2 179.0818 179.0818@3.3186646 + 136.1081@3.3255713 3.3255713 (137.1153, 3248.35) 1 136.1081 136.1081@3.3255713 + 323.122@3.3485763 3.3485763 (324.1292, 1676.02) 1 323.122 323.122@3.3485763 + 156.0898@3.3524287 3.3524287 (157.0971, 6583.71)(158.0947, 1180.825) 2 156.0898 156.0898@3.3524287 + 189.0074@3.4807503 3.4807503 (379.02075, 1060.36)(401.0044, 992.54)(190.015, 2036.0898)(211.99657, 3939.6335) 3 189.0074 189.0074@3.4807503 + 300.0583@3.593629 3.593629 (301.0656, 2269.04) 1 300.0583 300.0583@3.593629 + 521.2782@3.5590754 3.5590754 (522.28546, 2285.5332)(523.2901, 1164.0) 3 521.2782 521.2782@3.5590754 + 610.1098@3.632637 3.632637 (611.1171, 1546.36) 1 610.1098 610.1098@3.632637 + 551.7308@3.6476402 3.6476402 (552.738, 1246.95) 1 551.7308 551.7308@3.6476402 + 115.0636@3.6656437 3.6656437 (116.0705, 2842.19)(98.0603, 14627.91) 1 115.0636 115.0636@3.6656437 + 686.8314@3.7235546 3.7235546 (687.8373, 1213.6001) 2 686.8314 686.8314@3.7235546 + 605.4401@3.7286565 3.7286565 (606.4474, 1576.48)(607.4457, 529.01) 1 605.4401 605.4401@3.7286565 + 347.1275@3.7476604 3.7476604 (348.1347, 1154.53) 1 347.1275 347.1275@3.7476604 + 724.5136@3.7727156 3.7727156 (725.5205, 2706.33)(726.525, 1352.02) 2 724.5136 724.5136@3.7727156 + 783.0579@3.7726421 3.7726421 (784.06464, 2180.3367)(785.0665, 733.32) 3 783.0579 783.0579@3.7726421 + 840.5966@3.774362 3.774362 (841.60474, 2027.1825)(842.6083, 1304.8301) 4 840.5966 840.5966@3.774362 + 812.0783@3.7973838 3.7973838 (813.0853, 2012.6179)(814.0875, 936.49) 5 812.0783 812.0783@3.7973838 + 682.1577@3.8084671 3.8084671 (683.16516, 2164.92)(684.1744, 874.77) 2 682.1577 682.1577@3.8084671 + 899.1404@3.7986705 3.7986705 (900.1477, 2431.63) 1 899.1404 899.1404@3.7986705 + 643.7983@3.8180454 3.8180454 (644.8054, 2156.47) 3 643.7983 643.7983@3.8180454 + 927.6596@3.8066719 3.8066719 (928.6669, 1500.58)(929.6708, 1043.59) 1 927.6596 927.6596@3.8066719 + 663.4786@3.827676 3.827676 (664.4859, 1726.09)(665.4819, 982.07) 1 663.4786 663.4786@3.827676 + 804.5689@3.9286163 3.9286163 (805.57733, 2277.0266)(806.5799, 1299.6932) 3 804.5689 804.5689@3.9286163 + 658.1384@3.93406 3.93406 (659.14575, 2520.9148)(660.14966, 796.43) 4 658.1384 658.1384@3.93406 + 658.4744@3.9336963 3.9336963 (659.4816, 3580.44)(660.4781, 1311.76) 1 658.4744 658.4744@3.9336963 + 639.1265@3.946717 3.946717 (640.1332, 2597.514)(641.1324, 771.47) 5 639.1265 639.1265@3.946717 + 716.1806@3.9547594 3.9547594 (717.1873, 1647.1666)(718.1903, 871.61395) 6 716.1806 716.1806@3.9547594 + 697.1678@3.957137 3.957137 (698.1753, 2189.7026) 4 697.1678 697.1678@3.957137 + 754.8781@3.9832597 3.9832597 (755.8829, 1499.405)(756.8852, 653.06) 2 754.8781 754.8781@3.9832597 + 855.6009@4.061039 4.061039 (856.60876, 1795.115)(857.6128, 957.82) 2 855.6009 855.6009@4.061039 + 692.8297@4.060719 4.060719 (693.837, 1778.03) 1 692.8297 692.8297@4.060719 + 884.6233@4.0667205 4.0667205 (885.6306, 1337.49)(886.6324, 850.01) 1 884.6233 884.6233@4.0667205 + 826.583@4.068426 4.068426 (827.5898, 1144.75)(828.5954, 1164.35) 2 826.583 826.583@4.068426 + 675.5413@4.070721 4.070721 (676.5486, 1197.1) 1 675.5413 675.5413@4.070721 + 355.2717@4.1450615 4.1450615 (356.27914, 3022.9)(357.28088, 857.86) 2 355.2717 355.2717@4.1450615 + 784.2286@4.1920023 4.1920023 (785.23346, 1253.25)(786.2361, 689.54) 2 784.2286 784.2286@4.1920023 + 726.5188@4.184972 4.184972 (727.5258, 2141.67) 2 726.5188 726.5188@4.184972 + 668.141@4.1982613 4.1982613 (669.1491, 2397.3499)(670.1523, 1025.0067) 3 668.141 668.141@4.1982613 + 276.083@4.191411 4.191411 (277.08975, 2627.4368)(278.0938, 737.54) 3 276.083 276.083@4.191411 + 440.1077@4.281726 4.281726 (441.11545, 1726.0125)(442.1189, 790.68)(463.09686, 3612.2927)(464.09988, 1102.9933) 4 440.1077 440.1077@4.281726 + 740.8595@4.2957582 4.2957582 (741.8667, 1956.67)(742.8676, 1342.01) 1 740.8595 740.8595@4.2957582 + 382.1404@4.307438 4.307438 (383.14835, 3400.1965)(384.15195, 1497.85)(385.1562, 572.56) 6 382.1404 382.1404@4.307438 + 135.1046@4.3230777 4.3230777 (136.11177, 7463.0903)(137.1097, 1654.1656) 7 135.1046 135.1046@4.3230777 + 663.8063@4.3107605 4.3107605 (664.8136, 1676.49) 1 663.8063 663.8063@4.3107605 + 155.0074@4.3494153 4.3494153 (156.01468, 2404.2327) 4 155.0074 155.0074@4.3494153 + 348.0247@4.3637686 4.3637686 (349.032, 1865.37) 1 348.0247 348.0247@4.3637686 + 355.1783@4.37177 4.37177 (356.1856, 3673.86)(357.1882, 1174.65) 1 355.1783 355.1783@4.37177 + 228.2646@4.397857 4.397857 (229.2715, 2545.43) 2 228.2646 228.2646@4.397857 + 755.8707@4.4069495 4.4069495 (756.8775, 1241.155) 2 755.8707 755.8707@4.4069495 + 697.8259@4.4147763 4.4147763 (698.8332, 1323.26) 1 697.8259 697.8259@4.4147763 + 339.2412@4.4299836 4.4299836 (340.24844, 2696.9565)(341.25348, 1072.0701) 3 339.2412 339.2412@4.4299836 + 698.1608@4.426778 4.426778 (699.1681, 1403.46) 1 698.1608 698.1608@4.426778 + 288.1139@4.44814 4.44814 (289.12082, 2627.0134)(290.1301, 890.16) 3 288.1139 288.1139@4.44814 + 301.1219@4.4727845 4.4727845 (302.1291, 2836.37) 1 301.1219 301.1219@4.4727845 + 273.2313@4.4937873 4.4937873 (274.2386, 2996.12)(275.2403, 597.25) 1 273.2313 273.2313@4.4937873 + 242.1421@4.530792 4.530792 (243.1494, 3255.47)(244.1573, 1631.15)(245.1549, 893.19) 1 242.1421 242.1421@4.530792 + 395.0815@4.6138024 4.6138024 (396.0888, 1639.62) 1 395.0815 395.0815@4.6138024 + 906.5233@4.616933 4.616933 (907.5303, 4037.85)(908.543, 3055.57)(929.5129, 1354.33)(930.5128, 1031.88) 2 906.5233 906.5233@4.616933 + 498.8468@4.6198034 4.6198034 (499.8541, 1428.4)(500.8549, 938.87) 1 498.8468 498.8468@4.6198034 + 493.7607@4.6316915 4.6316915 (494.768, 2203.8872) 7 493.7607 493.7607@4.6316915 + 478.8248@4.6370068 4.6370068 (479.83282, 3211.012)(480.8346, 1036.33) 11 478.8248 478.8248@4.6370068 + 579.84@4.624804 4.624804 (580.8473, 1732.9) 1 579.84 579.84@4.624804 + 1168.8446@4.6278043 4.6278043 (1169.8518, 1353.07) 1 1168.8446 1168.8446@4.6278043 + 581.8363@4.6278043 4.6278043 (582.8436, 2391.39) 1 581.8363 581.8363@4.6278043 + 319.1321@4.7498183 4.7498183 (320.1394, 3662.47) 1 319.1321 319.1321@4.7498183 + 771.5163@4.7841177 4.7841177 (772.52344, 2081.93)(773.5274, 1368.49)(794.5045, 972.68) 2 771.5163 771.5163@4.7841177 + 755.5144@4.816462 4.816462 (756.5191, 1370.3134)(757.5215, 878.91) 3 755.5144 755.5144@4.816462 + 637.4644@4.8528285 4.8528285 (638.4717, 15434.81)(639.4748, 686.66) 1 637.4644 637.4644@4.8528285 + 127.0742@4.9088335 4.9088335 (128.0815, 7838.83) 1 127.0742 127.0742@4.9088335 + 201.0615@4.9208345 4.9208345 (202.0688, 1594.84) 1 201.0615 201.0615@4.9208345 + 394.1641@4.9228344 4.9228344 (395.1713, 6485.63)(396.1781, 1579.01) 1 394.1641 394.1641@4.9228344 + 422.2053@4.9576025 4.9576025 (423.2126, 1761.615) 2 422.2053 422.2053@4.9576025 + 645.1854@5.0128417 5.0128417 (646.1927, 1202.33)(647.1979, 616.19) 1 645.1854 645.1854@5.0128417 + 173.1783@5.1457195 5.1457195 (174.18556, 4449.32)(175.1891, 671.23) 3 173.1783 173.1783@5.1457195 + 258.067@5.247378 5.247378 (259.07446, 1682.035) 2 258.067 258.067@5.247378 + 867.5738@5.375132 5.375132 (868.5884, 2467.14)(869.5915, 1573.68)(870.5935, 4120.8896)(871.5973, 2489.3398)(872.6094, 1464.25) 3 867.5738 867.5738@5.375132 + 933.6423@5.401858 5.401858 (934.6458, 1418.59)(935.6452, 919.84)(916.6433, 1322.96)(917.6428, 819.94)(956.6319, 954.2) 1 933.6423 933.6423@5.401858 + 829.0517@5.4108577 5.4108577 (830.0589, 3974.82) 1 829.0517 829.0517@5.4108577 + 993.5432@5.4284935 5.4284935 (994.55054, 1417.1775)(995.55334, 827.295) 4 993.5432 993.5432@5.4284935 + 399.2808@5.413858 5.413858 (400.2881, 1295.91) 1 399.2808 399.2808@5.413858 + 836.0437@5.417284 5.417284 (837.0553, 966.4119)(838.05286, 744.34)(839.0587, 1029.81) 5 836.0437 836.0437@5.417284 + 1274.3187@5.424858 5.424858 (1275.326, 704.65)(1276.3309, 922.94)(1277.3334, 440.1) 1 1274.3187 1274.3187@5.424858 + 913.5421@5.4268584 5.4268584 (914.5494, 3021.53)(915.5522, 2010.1)(916.5534, 1938.87) 1 913.5421 913.5421@5.4268584 + 1251.3295@5.4435134 5.4435134 (1252.3357, 1278.3134)(1253.3339, 1432.1333)(1254.3352, 1844.42) 3 1251.3295 1251.3295@5.4435134 + 1236.3298@5.454376 5.454376 (1237.3402, 1844.2299)(1238.3395, 1979.7439)(1239.3392, 1677.9781) 5 1236.3298 1236.3298@5.454376 + 1286.3221@5.4278584 5.4278584 (1287.3293, 903.9)(1288.3232, 964.24)(1289.3271, 833.67) 1 1286.3221 1286.3221@5.4278584 + 941.5371@5.43312 5.43312 (942.5502, 1807.1924)(943.5507, 1004.425)(944.5477, 1590.115)(945.53925, 446.35498)(946.5629, 224.93) 4 941.5371 941.5371@5.43312 + 1263.3236@5.4464207 5.4464207 (1264.3317, 1154.5734)(1265.3304, 1150.9818)(1266.331, 1301.7133)(1267.3359, 1226.38)(1268.3375, 699.16)(1269.3296, 861.53) 6 1263.3236 1263.3236@5.4464207 + 1275.8267@5.441037 5.441037 (1276.8274, 980.075)(1277.8258, 1162.5549)(1278.8231, 691.78)(1298.8239, 708.41) 2 1275.8267 1275.8267@5.441037 + 1239.33@5.4621444 5.4621444 (1240.3383, 1331.75)(1241.3339, 1508.5751)(1242.3347, 1519.0)(1243.34, 1757.6)(1244.3383, 1151.16)(1262.332, 1021.55)(1263.3303, 1038.93)(1264.332, 963.59) 6 1239.33 1239.33@5.4621444 + 1254.3289@5.4569244 5.4569244 (1255.3329, 1389.9744)(1256.3334, 1202.51)(1257.3328, 1057.666) 7 1254.3289 1254.3289@5.4569244 + 1630.1251@5.46279 5.46279 (1631.1261, 1417.4233)(1632.1266, 1311.9567)(1633.1268, 1078.0133)(1653.1184, 944.85)(1654.1223, 1020.06)(1655.1234, 1073.48) 3 1630.1251 1630.1251@5.46279 + 1622.6086@5.437381 5.437381 (1623.6172, 2261.34)(1624.6223, 2149.2349)(1625.626, 1735.77)(1626.6362, 1690.72) 2 1622.6086 1622.6086@5.437381 + 885.5373@5.456677 5.456677 (886.54474, 5386.117)(887.5477, 3389.3574)(888.5591, 4439.8003)(889.559, 1491.64) 4 885.5373 885.5373@5.456677 + 1186.8276@5.477727 5.477727 (1187.835, 2552.1948)(1188.8351, 2111.095) 2 1186.8276 1186.8276@5.477727 + 814.6026@5.4792986 5.4792986 (815.60986, 16788.725) 2 814.6026 814.6026@5.4792986 + 1574.1136@5.489994 5.489994 (1575.1243, 2001.7255)(1576.128, 2316.316)(1577.1324, 2314.2583)(1578.1383, 1897.7333)(1579.142, 1368.1602) 11 1574.1136 1574.1136@5.489994 + 1604.6095@5.4818583 5.4818583 (1605.6168, 925.19)(1606.6228, 981.5)(1607.6187, 802.46) 1 1604.6095 1604.6095@5.4818583 + 1189.8253@5.5002003 5.5002003 (1190.8337, 1078.254)(1191.834, 1084.356)(1192.836, 1177.2476) 5 1189.8253 1189.8253@5.5002003 + 1176.8293@5.5023494 5.5023494 (1177.8379, 1266.1951)(1178.835, 1544.545)(1179.8325, 2391.31)(1180.8381, 2875.1) 2 1176.8293 1176.8293@5.5023494 + 1578.6307@5.5058584 5.5058584 (1579.638, 946.16)(1580.6222, 1094.84)(1581.6152, 865.08) 1 1578.6307 1578.6307@5.5058584 + 761.6827@5.5068583 5.5068583 (762.69, 2439.79) 1 761.6827 761.6827@5.5068583 + 1566.1371@5.533918 5.533918 (1567.144, 5892.4497)(1568.1556, 7399.983)(1569.1606, 5549.155)(1570.1675, 4072.63) 6 1566.1371 1566.1371@5.533918 + 1554.1042@5.5218735 5.5218735 (1555.1139, 2090.8179)(1556.1238, 1593.3474)(1557.1272, 1331.0251) 5 1554.1042 1554.1042@5.5218735 + 1549.1093@5.5175695 5.5175695 (1550.1176, 1830.8708)(1551.1177, 2529.5225)(1552.1234, 3374.6116)(1553.1285, 2113.7131)(1554.1251, 1914.1466)(1555.127, 794.395)(1556.1304, 541.73)(1567.1427, 4813.72)(1568.1562, 6407.67)(1569.1602, 4968.92) 10 1549.1093 1549.1093@5.5175695 + 954.5702@5.5515547 5.5515547 (955.577, 3272.6218)(956.58044, 1991.18) 5 954.5702 954.5702@5.5515547 + 1543.1508@5.5688405 5.5688405 (1544.158, 9089.61)(1545.162, 7680.63)(1546.1663, 4452.647)(1547.1711, 1600.4186)(1548.1709, 622.8625) 8 1543.1508 1543.1508@5.5688405 + 1518.135@5.558181 5.558181 (1519.1425, 9788.211)(1520.1473, 3853.05)(1521.1516, 1484.43) 2 1518.135 1518.135@5.558181 + 775.079@5.5868573 5.5868573 (776.0863, 1385.44)(777.0816, 957.71) 1 775.079 775.079@5.5868573 + 1151.3423@5.5987477 5.5987477 (1152.3506, 1699.7968)(1153.3531, 984.0633) 3 1151.3423 1151.3423@5.5987477 + 1549.1564@5.602857 5.602857 (1550.1636, 856.92)(1551.1678, 795.24)(1552.1418, 831.93) 1 1549.1564 1549.1564@5.602857 + 895.6758@5.6138663 5.6138663 (896.6826, 979.766)(897.6829, 614.705)(898.6922, 550.03) 5 895.6758 895.6758@5.6138663 + 1309.3488@5.590308 5.590308 (1310.356, 1414.38)(1311.3596, 1195.495)(1312.3715, 1077.09) 2 1309.3488 1309.3488@5.590308 + 992.5475@5.5791206 5.5791206 (993.56616, 1153.0)(994.563, 949.58496)(995.5475, 1043.37)(1015.5329, 903.47) 2 992.5475 992.5475@5.5791206 + 1249.3633@5.595643 5.595643 (1250.3694, 1805.045)(1251.3752, 1100.525)(1252.3584, 654.67) 2 1249.3633 1249.3633@5.595643 + 941.0589@5.605145 5.605145 (942.0651, 1253.2916)(943.07074, 783.51) 7 941.0589 941.0589@5.605145 + 1684.0991@5.584376 5.584376 (1685.1079, 1394.9276)(1686.1107, 1524.5962)(1687.1152, 1299.6477)(1688.1224, 826.94806)(1689.1289, 908.47) 13 1684.0991 1684.0991@5.584376 + 1178.867@5.613509 5.613509 (1179.8743, 1238.7875)(1180.8658, 1307.5851)(1181.8591, 850.685) 4 1178.867 1178.867@5.613509 + 867.0566@5.6169486 5.6169486 (868.0641, 1216.6725)(869.06744, 1025.7625) 4 867.0566 867.0566@5.6169486 + 1199.3586@5.603423 5.603423 (1200.3654, 1899.3207)(1201.3671, 1556.7285)(1202.3661, 1333.3983)(1222.3514, 1866.1333)(1223.3464, 2578.36)(1224.3513, 1137.44) 11 1199.3586 1199.3586@5.603423 + 523.2671@5.643856 5.643856 (524.2744, 6465.55)(525.2787, 1964.41) 1 523.2671 523.2671@5.643856 + 820.0764@5.623717 5.623717 (821.0835, 2179.209)(822.0864, 1456.5063)(823.0871, 671.34)(803.0656, 881.69)(843.0665, 581.63) 10 820.0764 820.0764@5.623717 + 1174.8542@5.6186085 5.6186085 (1175.8563, 1843.0933)(1176.8503, 931.35)(1177.8463, 990.52) 3 1174.8542 1174.8542@5.6186085 + 811.5343@5.698426 5.698426 (812.5413, 13832.544)(813.54913, 8316.91)(814.558, 9779.22)(829.566, 7089.42)(830.566, 3239.39) 5 811.5343 811.5343@5.698426 + 871.671@5.698854 5.698854 (872.6783, 1503.92)(873.6801, 880.5) 1 871.671 871.671@5.698854 + 968.5471@5.6451225 5.6451225 (969.5478, 1309.35)(970.5576, 807.44)(971.5621, 1824.09) 2 968.5471 968.5471@5.6451225 + 791.6106@5.6947436 5.6947436 (792.6129, 2415.5278)(793.62, 1171.3141) 5 791.6106 791.6106@5.6947436 + 918.701@5.671742 5.671742 (919.7089, 1208.6234)(920.7063, 1037.7201)(921.6994, 722.28) 3 918.701 918.701@5.671742 + 105.079@5.73497 5.73497 (106.08615, 7420.9297)(88.07565, 98102.75)(89.07885, 6541.505) 2 105.079 105.079@5.73497 + 269.9698@5.7808504 5.7808504 (270.9771, 1513.05) 1 269.9698 269.9698@5.7808504 + 910.0575@5.807849 5.807849 (911.0648, 1955.45) 1 910.0575 910.0575@5.807849 + 802.074@5.8142366 5.8142366 (803.0818, 2031.345)(804.0736, 937.79004) 2 802.074 802.074@5.8142366 + 561.8083@5.822424 5.822424 (562.81476, 1761.1399)(563.81836, 990.095)(564.7985, 1405.86) 2 561.8083 561.8083@5.822424 + 1037.604@5.8315797 5.8315797 (1038.6115, 1210.3168)(1039.6149, 766.22003)(1040.6233, 790.5) 3 1037.604 1037.604@5.8315797 + 859.9401@5.821848 5.821848 (860.9473, 2068.78) 1 859.9401 859.9401@5.821848 + 1219.2716@5.8308473 5.8308473 (1220.2788, 1189.74) 1 1219.2716 1219.2716@5.8308473 + 498.7584@5.8384757 5.8384757 (998.5269, 747.56)(999.536, 734.16)(1000.5399, 930.01)(499.76358, 1536.2134)(500.76157, 685.74335)(501.7663, 905.11) 3 498.7584 498.7584@5.8384757 + 955.105@5.848846 5.848846 (956.1123, 1782.4) 1 955.105 955.105@5.848846 + 953.5236@5.840007 5.840007 (954.53546, 1764.1262)(955.53064, 1020.96796)(956.51514, 2594.8003)(957.5174, 1867.665)(958.51984, 2295.045)(971.567, 920.25)(976.52, 926.82495)(977.5285, 824.94) 5 953.5236 953.5236@5.840007 + 518.3175@5.8568454 5.8568454 (519.3248, 2360.23) 1 518.3175 518.3175@5.8568454 + 960.5198@5.9307866 5.9307866 (961.5285, 1072.5067)(962.5418, 992.84)(963.5509, 865.75) 3 960.5198 960.5198@5.9307866 + 208.0847@5.8871517 5.8871517 (209.09189, 4180.9053)(210.0986, 869.0) 2 208.0847 208.0847@5.8871517 + 679.6966@5.9196377 5.9196377 (680.7051, 1001.145) 2 679.6966 679.6966@5.9196377 + 946.4753@5.9298396 5.9298396 (947.4825, 864.86)(948.4818, 803.61) 1 946.4753 946.4753@5.9298396 + 188.0453@5.93384 5.93384 (189.0526, 1629.56) 1 188.0453 188.0453@5.93384 + 755.3815@5.941262 5.941262 (756.3922, 1818.24)(757.3885, 923.43005)(758.4014, 2025.72) 4 755.3815 755.3815@5.941262 + 380.2449@5.9510317 5.9510317 (381.25134, 1955.5625) 4 380.2449 380.2449@5.9510317 + 444.9522@5.9408393 5.9408393 (445.9594, 1251.09) 1 444.9522 444.9522@5.9408393 + 1035.6166@5.945839 5.945839 (1036.6238, 1866.15)(1037.617, 1052.11)(1038.6086, 745.08) 1 1035.6166 1035.6166@5.945839 + 975.5049@5.9129853 5.9129853 (976.5169, 1587.2334)(977.5202, 978.7734)(978.5287, 835.1)(998.4984, 940.52) 3 975.5049 975.5049@5.9129853 + 627.1537@5.9478383 5.9478383 (628.161, 5856.37)(629.1621, 1119.66)(630.1609, 1174.53) 1 627.1537 627.1537@5.9478383 + 757.4117@5.948838 5.948838 (758.4189, 1071.92) 1 757.4117 757.4117@5.948838 + 962.5399@5.8983006 5.8983006 (963.5477, 1458.01)(964.573, 944.4) 2 962.5399 962.5399@5.8983006 + 896.5414@5.950838 5.950838 (897.5482, 1984.63)(898.5697, 1517.77)(899.5725, 918.07)(919.5311, 2416.92) 1 896.5414 896.5414@5.950838 + 982.5785@5.951134 5.951134 (983.58545, 1436.6)(984.59106, 976.3566)(985.59937, 3221.8867)(986.6038, 1901.71)(987.60443, 844.56) 6 982.5785 982.5785@5.951134 + 809.4537@5.9518385 5.9518385 (810.461, 1074.02)(811.4465, 806.37) 1 809.4537 809.4537@5.9518385 + 947.4987@5.9553757 5.9553757 (948.50854, 1341.8667)(949.5052, 1025.4266)(950.51654, 1616.235)(951.5225, 700.24)(952.5301, 1967.7)(970.4923, 977.65)(971.49854, 827.935)(972.4881, 2584.38)(973.4989, 1150.11)(974.5028, 1646.7) 3 947.4987 947.4987@5.9553757 + 729.3633@5.957017 5.957017 (730.3702, 1652.8574)(731.3745, 888.6975)(732.38477, 2886.6533)(733.3886, 1430.5865)(734.40155, 2521.745)(735.41064, 927.12)(736.3981, 644.45496) 4 729.3633 729.3633@5.957017 + 983.5085@5.952838 5.952838 (984.5158, 1059.03)(985.5278, 990.56) 1 983.5085 983.5085@5.952838 + 852.591@5.9564857 5.9564857 (853.5932, 7053.562)(854.5891, 2708.6)(855.58826, 1192.6024) 6 852.591 852.591@5.9564857 + 763.4283@5.9593687 5.9593687 (764.43365, 1301.6282)(765.4423, 764.71)(766.44794, 3097.8726)(767.45355, 1347.0125)(768.44696, 1790.7025) 5 763.4283 763.4283@5.9593687 + 818.6273@5.9098477 5.9098477 (819.63794, 2569.7666)(820.64087, 1121.92) 3 818.6273 818.6273@5.9098477 + 725.4136@5.957837 5.957837 (726.4209, 1391.28)(727.4201, 753.49)(728.4222, 1329.33)(729.4262, 330.0) 1 725.4136 725.4136@5.957837 + 783.4114@5.958944 5.958944 (784.42126, 2609.744)(785.4256, 1196.178)(786.42786, 1333.968) 5 783.4114 783.4114@5.958944 + 691.4738@5.9785037 5.9785037 (692.48175, 5136.3433)(693.4858, 2794.165)(694.4867, 1125.03)(714.4713, 1654.64) 3 691.4738 691.4738@5.9785037 + 133.1102@6.0208316 6.0208316 (134.1175, 355893.38)(135.1206, 25460.52)(136.1222, 1900.22) 1 133.1102 133.1102@6.0208316 + 106.0454@6.0558276 6.0558276 (107.0527, 1765.32) 1 106.0454 106.0454@6.0558276 + 721.4351@6.046451 6.046451 (722.43976, 2995.3167)(723.4467, 1655.4567)(724.4512, 2176.3)(725.4561, 553.7)(726.4659, 3538.18) 3 721.4351 721.4351@6.046451 + 645.3622@6.0898004 6.0898004 (646.3692, 3694.1797)(647.37286, 1902.3866) 6 645.3622 645.3622@6.0898004 + 846.5446@6.08617 6.08617 (847.55164, 3229.6802)(848.54895, 2155.49)(849.54974, 1738.335) 2 846.5446 846.5446@6.08617 + 879.5533@6.084825 6.084825 (880.5606, 3701.68)(881.5627, 1417.6)(882.5772, 1333.26) 1 879.5533 879.5533@6.084825 + 799.6077@6.0858245 6.0858245 (800.6161, 3764.99)(801.6192, 2250.56)(822.595, 1704.9)(823.6024, 1518.09) 1 799.6077 799.6077@6.0858245 + 882.5702@6.0868244 6.0868244 (883.5808, 1795.72)(884.5899, 1145.56)(905.5543, 1255.72) 1 882.5702 882.5702@6.0868244 + 917.5258@6.08867 6.08867 (918.53357, 3084.0151)(919.53845, 2131.31)(920.5504, 1591.56)(900.5228, 2187.24)(901.524, 928.14)(902.5379, 2498.83)(940.5143, 2436.505)(941.5162, 1247.22)(942.5269, 1867.77) 2 917.5258 917.5258@6.08867 + 476.1792@6.148817 6.148817 (477.1865, 4920.34)(478.1898, 1122.26) 1 476.1792 476.1792@6.148817 + 1013.6464@6.1637344 6.1637344 (1014.655, 2087.71)(1015.66266, 763.70996) 2 1013.6464 1013.6464@6.1637344 + 733.4871@6.1688147 6.1688147 (734.4948, 4096.34)(735.4987, 1702.79)(756.4755, 3849.4)(757.4787, 2086.2)(758.4667, 1052.98) 1 733.4871 733.4871@6.1688147 + 1028.6252@6.1698146 6.1698146 (1029.6326, 522.76)(1030.6482, 530.11)(1031.6259, 872.88) 1 1028.6252 1028.6252@6.1698146 + 708.4184@6.1653843 6.1653843 (709.42725, 1991.905)(710.4363, 1855.33)(711.4387, 980.71)(726.4628, 2661.98)(727.4731, 1708.9) 2 708.4184 708.4184@6.1653843 + 396.07@6.173814 6.173814 (397.0773, 8690.37)(398.08, 2108.1) 1 396.07 396.07@6.173814 + 679.396@6.173814 6.173814 (680.4033, 1878.49)(681.4258, 1144.97)(682.4069, 2987.5)(683.4165, 0.0)(684.4213, 6324.44) 1 679.396 679.396@6.173814 + 805.4163@6.173443 6.173443 (806.42377, 1132.9567)(807.43555, 873.57)(808.426, 1587.16) 3 805.4163 805.4163@6.173443 + 910.534@6.1594167 6.1594167 (911.5432, 1968.09)(912.5547, 1821.535)(913.5597, 1395.03)(933.52466, 1029.14) 4 910.534 910.534@6.1594167 + 643.284@6.177338 6.177338 (644.2915, 1226.03)(645.29895, 901.735)(646.2916, 1250.815)(666.2734, 939.17) 2 643.284 643.284@6.177338 + 926.5463@6.1758137 6.1758137 (927.5535, 2307.69)(928.5535, 1954.05)(929.5516, 1695.98) 1 926.5463 926.5463@6.1758137 + 585.1137@6.174823 6.174823 (586.1189, 1686.1951)(568.1106, 5668.8447)(569.11316, 1576.365) 2 585.1137 585.1137@6.174823 + 705.4273@6.170734 6.170734 (706.4339, 2606.4048)(707.43994, 1221.8)(708.4217, 7337.15)(709.4245, 3276.37)(728.413, 1707.13)(729.4146, 1042.06) 2 705.4273 705.4273@6.170734 + 857.5719@6.1768136 6.1768136 (858.5813, 3014.34)(859.5834, 785.7)(860.5988, 1540.57)(880.5605, 5448.87)(881.5636, 2006.9)(882.5785, 2866.23)(883.5827, 1210.31)(884.5913, 1133.8) 1 857.5719 857.5719@6.1768136 + 776.366@6.182232 6.182232 (777.3738, 1350.335)(778.38855, 898.345) 2 776.366 776.366@6.182232 + 767.433@6.184463 6.184463 (768.4404, 3574.7598)(769.44366, 1896.5333)(770.4349, 1596.7666) 3 767.433 767.433@6.184463 + 818.411@6.1827345 6.1827345 (819.4173, 1723.51)(820.4203, 828.235)(821.4327, 543.36) 2 818.411 818.411@6.1827345 + 873.5624@6.249118 6.249118 (874.5712, 2174.415)(875.57935, 685.51)(876.575, 3899.2002)(877.5677, 4004.8)(878.5511, 7431.34)(896.5547, 3492.85)(897.55536, 1782.075)(898.5704, 2397.105)(899.5757, 1497.14)(900.5884, 1795.05) 2 873.5624 873.5624@6.249118 + 975.5195@6.180813 6.180813 (976.5268, 1160.0)(977.5263, 712.93)(978.5467, 685.0) 1 975.5195 975.5195@6.180813 + 114.0791@6.2045174 6.2045174 (115.08651, 6471.4497)(137.06844, 8518.807)(138.0657, 1352.22) 3 114.0791 114.0791@6.2045174 + 690.4314@6.2488036 6.2488036 (691.4387, 3950.69)(692.4482, 2698.39)(693.4513, 892.66) 1 690.4314 690.4314@6.2488036 + 476.1791@6.2867975 6.2867975 (477.1864, 1802.15) 1 476.1791 476.1791@6.2867975 + 684.4176@6.3032036 6.3032036 (685.4249, 3712.8699) 2 684.4176 684.4176@6.3032036 + 785.2742@6.3077946 6.3077946 (786.2815, 942.81) 1 785.2742 785.2742@6.3077946 + 757.5615@6.308794 6.308794 (758.5689, 19310.11)(759.5728, 9375.1)(780.5503, 3720.9)(781.5544, 2120.13) 1 757.5615 757.5615@6.308794 + 767.4386@6.309393 6.309393 (768.44775, 1830.8934)(769.4495, 1050.4634)(770.45123, 1947.56) 3 767.4386 767.4386@6.309393 + 797.4573@6.309794 6.309794 (798.4646, 1345.68)(799.4646, 775.73) 1 797.4573 797.4573@6.309794 + 912.5482@6.321414 6.321414 (913.55396, 1129.085)(914.5701, 832.17)(915.5726, 806.27)(895.547, 2502.47)(935.5336, 1745.17) 2 912.5482 912.5482@6.321414 + 785.5933@6.310794 6.310794 (786.6007, 143933.06)(787.604, 73774.18)(788.6133, 39798.32)(789.6183, 13285.05)(790.6205, 4375.01)(791.6215, 987.82)(808.5819, 30536.5)(809.5855, 14713.03)(810.5958, 10609.59)(811.5997, 3698.86) 1 785.5933 785.5933@6.310794 + 947.5024@6.310794 6.310794 (948.5097, 1346.79)(949.5211, 890.68)(950.5257, 1880.06)(930.4992, 1069.4)(931.5103, 612.72)(932.5145, 1732.67)(933.5182, 981.83)(934.5309, 3251.07) 1 947.5024 947.5024@6.310794 + 983.5242@6.310794 6.310794 (984.5322, 1705.55)(985.5351, 670.5)(986.546, 937.84)(1006.5106, 767.73) 1 983.5242 983.5242@6.310794 + 907.5199@6.31111 6.31111 (908.5271, 3143.56)(909.5288, 1704.9)(910.53925, 2350.315)(911.54333, 1182.87)(912.5552, 2017.415) 2 907.5199 907.5199@6.31111 + 922.5552@6.3117933 6.3117933 (923.5601, 1439.65)(945.5482, 1128.78) 1 922.5552 922.5552@6.3117933 + 487.3863@6.311701 6.311701 (488.3936, 1827.0549)(489.3966, 855.19)(470.38303, 2765.6575)(471.3854, 1080.6533)(472.3967, 956.51) 4 487.3863 487.3863@6.311701 + 777.4437@6.3117933 6.3117933 (778.4516, 1673.99)(779.4452, 842.55)(780.4451, 1732.61)(800.4312, 968.3) 1 777.4437 777.4437@6.3117933 + 661.4154@6.2860904 6.2860904 (662.4279, 6917.6104)(663.43396, 2289.955) 2 661.4154 661.4154@6.2860904 + 749.4621@6.3117933 6.3117933 (750.4694, 1845.66)(751.4901, 1012.42) 1 749.4621 749.4621@6.3117933 + 966.5202@6.3127933 6.3127933 (967.5275, 1210.78)(968.5355, 1462.36)(969.5414, 1259.72) 1 966.5202 966.5202@6.3127933 + 519.3315@6.3127933 6.3127933 (520.3383, 2783.63)(521.336, 970.43)(542.3224, 1055.84) 1 519.3315 519.3315@6.3127933 + 801.4729@6.3127933 6.3127933 (802.4802, 1402.14)(803.482, 797.08) 1 801.4729 801.4729@6.3127933 + 791.6132@6.312307 6.312307 (792.6211, 1490.28) 2 791.6132 791.6132@6.312307 + 685.3891@6.320792 6.320792 (686.3964, 2366.57)(687.4044, 891.43) 1 685.3891 685.3891@6.320792 + 362.1546@6.337789 6.337789 (363.1619, 2237.6)(364.1643, 691.79) 1 362.1546 362.1546@6.337789 + 666.4295@6.3667464 6.3667464 (667.437, 16489.197)(668.4366, 4825.2134)(669.4391, 1850.49) 3 666.4295 666.4295@6.3667464 + 876.5875@6.39278 6.39278 (877.5948, 1358.13)(878.6028, 919.16) 1 876.5875 876.5875@6.39278 + 149.0694@6.4037776 6.4037776 (150.0767, 1364.93) 1 149.0694 149.0694@6.4037776 + 383.2671@6.4087768 6.4087768 (384.2744, 1406.24) 1 383.2671 383.2671@6.4087768 + 680.4476@6.4330597 6.4330597 (681.45386, 4510.3335)(682.4465, 1783.155)(683.4367, 1019.4)(703.4365, 1361.42) 3 680.4476 680.4476@6.4330597 + 636.3832@6.477052 6.477052 (637.3907, 17251.812)(638.3976, 5226.27)(639.4033, 1865.46)(654.4165, 604.46)(659.3716, 855.06) 6 636.3832 636.3832@6.477052 + 876.5758@6.4747643 6.4747643 (877.5831, 721.02)(878.5951, 561.63) 1 876.5758 876.5758@6.4747643 + 880.5469@6.6347294 6.6347294 (881.5541, 1435.02)(882.5596, 890.68) 1 880.5469 880.5469@6.6347294 + 767.5778@6.6510534 6.6510534 (768.5854, 1276.1226)(769.5828, 820.57324) 4 767.5778 767.5778@6.6510534 + 643.386@6.6512103 6.6512103 (644.3923, 2144.7)(645.3907, 741.86005)(646.4036, 2962.4)(647.4076, 766.28) 3 643.386 643.386@6.6512103 + 561.4043@6.648726 6.648726 (562.4116, 1691.08)(563.4138, 1233.98) 1 561.4043 561.4043@6.648726 + 704.3789@6.6497264 6.6497264 (705.3862, 3279.85)(706.3716, 1508.07) 1 704.3789 704.3789@6.6497264 + 594.4436@6.673 6.673 (595.4497, 1749.335)(596.4458, 943.64) 2 594.4436 594.4436@6.673 + 805.4749@6.676107 6.676107 (806.48303, 1694.2351)(807.4745, 1067.855) 2 805.4749 805.4749@6.676107 + 909.5329@6.655725 6.655725 (910.5401, 2311.72)(911.5412, 1337.83)(912.5503, 1650.92)(913.5526, 700.25) 1 909.5329 909.5329@6.655725 + 598.431@6.663723 6.663723 (599.4382, 3869.36) 1 598.431 598.431@6.663723 + 180.1476@6.6767197 6.6767197 (181.1549, 2885.82) 1 180.1476 180.1476@6.6767197 + 729.585@6.7018433 6.7018433 (730.5928, 2449.1099)(731.6011, 947.06)(732.6059, 969.76) 2 729.585 729.585@6.7018433 + 872.5085@6.7067122 6.7067122 (873.5158, 1927.56)(874.5216, 1787.4) 1 872.5085 872.5085@6.7067122 + 894.0034@6.7097116 6.7097116 (895.0106, 1003.67)(896.0115, 961.39)(897.0157, 1287.85) 1 894.0034 894.0034@6.7097116 + 870.012@6.7137103 6.7137103 (871.0193, 1354.17)(872.0167, 1193.97)(873.0122, 2882.87)(874.0075, 1349.21)(875.0242, 1197.52) 1 870.012 870.012@6.7137103 + 866.5066@6.7167096 6.7167096 (867.5142, 854.37)(868.5035, 1301.6)(869.5187, 1078.88)(889.4953, 762.01) 1 866.5066 866.5066@6.7167096 + 831.9808@6.7374816 6.7374816 (832.99854, 1195.8234)(834.00433, 1010.7666)(835.01056, 1321.61) 3 831.9808 831.9808@6.7374816 + 533.3769@6.721709 6.721709 (534.3842, 1530.8) 1 533.3769 533.3769@6.721709 + 1063.165@6.7347565 6.7347565 (1064.1727, 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255.9602@7.0825996 + 563.2859@7.0839424 7.0839424 (564.2932, 3136.53)(565.29596, 1407.7959) 6 563.2859 563.2859@7.0839424 + 769.4502@7.138031 7.138031 (770.4541, 1647.5933)(771.4617, 855.0833) 3 769.4502 769.4502@7.138031 + 698.1117@7.1455774 7.1455774 (699.119, 1215.84)(700.1396, 1198.83) 1 698.1117 698.1117@7.1455774 + 224.0446@7.149418 7.149418 (449.0942, 1735.97)(450.0921, 972.76)(225.0543, 1356.23)(247.0342, 729.37) 2 224.0446 224.0446@7.149418 + 378.1685@7.1495757 7.1495757 (379.1758, 2164.66) 1 378.1685 378.1685@7.1495757 + 784.6458@7.1488714 7.1488714 (785.65326, 2047.5225)(786.6549, 866.9675)(787.6569, 817.57)(807.63434, 3838.2979)(808.63605, 2163.5225)(809.6426, 1042.4532) 4 784.6458 784.6458@7.1488714 + 810.6605@7.151575 7.151575 (811.6679, 3660.2)(812.6713, 2476.8)(813.6794, 1316.1)(833.6497, 6299.3)(834.653, 3127.52)(835.6599, 1822.53) 1 810.6605 810.6605@7.151575 + 709.1377@7.151575 7.151575 (710.1449, 1428.64)(711.1386, 985.33) 1 709.1377 709.1377@7.151575 + 628.0944@7.151575 7.151575 (629.1017, 1325.53) 1 628.0944 628.0944@7.151575 + 686.1562@7.153574 7.153574 (687.1635, 2398.26)(688.1651, 628.4)(689.1635, 703.42) 1 686.1562 686.1562@7.153574 + 531.0837@7.1575727 7.1575727 (532.091, 1588.34) 1 531.0837 531.0837@7.1575727 + 649.276@7.156597 7.156597 (650.2836, 1452.0934)(651.2987, 745.14)(652.28766, 1550.52)(667.3086, 806.58) 3 649.276 649.276@7.156597 + 593.277@7.162571 7.162571 (594.2856, 927.95)(611.3106, 2066.88) 1 593.277 593.277@7.162571 + 301.1887@7.175791 7.175791 (302.1964, 2498.16)(303.19775, 912.845) 2 301.1887 301.1887@7.175791 + 610.3274@7.29471 7.29471 (611.33484, 1662.2949) 2 610.3274 610.3274@7.29471 + 635.2855@7.2978096 7.2978096 (636.292, 1703.88)(637.29364, 915.1867)(638.30334, 2341.1602)(639.3058, 1224.3)(640.3107, 1927.46)(641.3145, 560.38)(642.3248, 792.0) 3 635.2855 635.2855@7.2978096 + 507.2964@7.4408484 7.4408484 (508.30377, 1758.165)(509.3078, 1100.76) 2 507.2964 507.2964@7.4408484 + 603.2823@7.4624476 7.4624476 (604.2896, 1172.4)(605.2878, 637.06)(606.3038, 1446.74)(607.3056, 194.94) 1 603.2823 603.2823@7.4624476 + 596.3516@7.607379 7.607379 (597.3589, 1592.92)(598.3711, 1138.26) 1 596.3516 596.3516@7.607379 + 433.1837@7.671795 7.671795 (434.19098, 21275.613)(435.1939, 5180.285)(436.19885, 1282.225) 5 433.1837 433.1837@7.671795 + 219.0595@7.670518 7.670518 (220.06696, 2244.545) 2 219.0595 219.0595@7.670518 + 160.0848@7.6873384 7.6873384 (161.0921, 4064.72) 1 160.0848 160.0848@7.6873384 + 147.0527@7.7223206 7.7223206 (148.06, 2635.73) 1 147.0527 147.0527@7.7223206 + 555.2074@8.136074 8.136074 (556.2146, 1018.2) 1 555.2074 555.2074@8.136074 + 483.187@8.581579 8.581579 (484.1937, 2781.24)(485.1983, 1004.94) 3 483.187 483.187@8.581579 + 395.1705@8.61021 8.61021 (396.17776, 2125.17)(397.1785, 788.27) 3 395.1705 395.1705@8.61021 + 196.0938@8.731919 8.731919 (197.1015, 3503.44)(219.08319, 2423.1802) 4 196.0938 196.0938@8.731919 + 252.0403@8.927444 8.927444 (253.0475, 2045.23) 1 252.0403 252.0403@8.927444 + 493.1687@8.94243 8.94243 (494.1759, 1356.03) 1 493.1687 493.1687@8.94243 + 473.2934@0.73400795 0.73400795 (474.30103, 3021.22)(475.3053, 986.33746)(476.30347, 1402.3701) 5 473.2934 473.2934@0.73400795 + 276.039@0.7703501 0.7703501 (277.04675, 1073.725) 2 276.039 276.039@0.7703501 + 336.0299@0.7785238 0.7785238 (337.03757, 3410.1401)(338.04272, 1034.485)(354.0639, 1701.0) 5 336.0299 336.0299@0.7785238 + 246.0317@0.8596948 0.8596948 (247.039, 3404.56) 1 246.0317 246.0317@0.8596948 + 358.3076@0.91466266 0.91466266 (359.3147, 2842.76)(360.3183, 1751.99)(376.3416, 2464.18)(377.3438, 934.04) 1 358.3076 358.3076@0.91466266 + 345.2872@0.91466266 0.91466266 (346.2945, 6977.09)(347.3009, 1575.04)(348.3038, 856.03) 1 345.2872 345.2872@0.91466266 + 696.3541@1.0164709 1.0164709 (697.3573, 1759.02)(698.3824, 708.25) 2 696.3541 696.3541@1.0164709 + 673.5302@1.0252805 1.0252805 (674.53455, 1360.745)(675.5295, 834.49)(656.5261, 5312.86)(657.5309, 2563.75)(658.5424, 10588.34)(659.545, 4190.74)(660.5532, 4510.23) 2 673.5302 673.5302@1.0252805 + 533.4485@1.0425811 1.0425811 (534.4558, 2786.1)(535.4709, 1786.15) 1 533.4485 533.4485@1.0425811 + 994.3232@1.051356 1.051356 (995.3294, 1325.38)(996.3269, 1337.61) 3 994.3232 994.3232@1.051356 + 494.3614@1.0601976 1.0601976 (495.36536, 3424.98)(512.395, 9680.83)(513.3944, 4585.495) 2 494.3614 494.3614@1.0601976 + 310.2491@1.0585701 1.0585701 (311.2564, 3648.89) 1 310.2491 310.2491@1.0585701 + 481.4452@1.0605688 1.0605688 (482.4525, 1835.12) 1 481.4452 481.4452@1.0605688 + 647.4783@1.0615681 1.0615681 (648.4856, 2411.94) 1 647.4783 647.4783@1.0615681 + 631.471@1.0731179 1.0731179 (632.47925, 1982.015)(633.4622, 1436.15) 2 631.471 631.471@1.0731179 + 626.4531@1.0685633 1.0685633 (627.4604, 2412.75) 1 626.4531 626.4531@1.0685633 + 450.2937@1.0745592 1.0745592 (451.3009, 2545.76) 1 450.2937 450.2937@1.0745592 + 494.3977@1.0815617 1.0815617 (495.4035, 4437.4805)(496.4121, 3354.93)(497.4153, 3417.49)(517.38715, 4576.5703) 11 494.3977 494.3977@1.0815617 + 562.388@1.0723337 1.0723337 (563.3919, 3935.0098)(580.4215, 5238.68)(581.4188, 2856.87)(585.3757, 2023.855) 5 562.388 562.388@1.0723337 + 554.436@1.0998206 1.0998206 (555.44135, 2400.985) 2 554.436 554.436@1.0998206 + 523.3496@1.0861545 1.0861545 (524.35596, 5479.865)(525.3528, 2929.11)(526.3709, 4006.82) 2 523.3496 523.3496@1.0861545 + 491.3453@1.080094 1.080094 (492.35144, 5457.57)(514.3355, 4334.9)(515.3372, 2658.97) 2 491.3453 491.3453@1.080094 + 270.2171@1.080555 1.080555 (558.4696, 4079.01)(271.2235, 2331.6)(272.2178, 811.22)(273.2214, 2285.34) 1 270.2171 270.2171@1.080555 + 741.5305@1.0815543 1.0815543 (742.5377, 2115.41)(743.5448, 1517.59) 1 741.5305 741.5305@1.0815543 + 280.2404@1.083947 1.083947 (561.4851, 4120.4624)(562.48566, 2562.0432)(563.4686, 3591.58)(281.247, 17212.875)(282.25076, 3901.4817)(263.2366, 3548.12)(264.2406, 1032.52)(298.2731, 3401.06)(303.2313, 7626.922)(304.23517, 2418.5361) 7 280.2404 280.2404@1.083947 + 708.5131@1.0825535 1.0825535 (709.5203, 1408.61)(710.5052, 1436.02) 1 708.5131 708.5131@1.0825535 + 433.3421@1.0825535 1.0825535 (434.3513, 4198.67)(456.3303, 5863.68)(457.3285, 3621.22) 1 433.3421 433.3421@1.0825535 + 112.089@1.0835528 1.0835528 (225.1841, 3948.82)(247.1681, 1241.01)(113.0967, 1920.22) 1 112.089 112.089@1.0835528 + 298.2043@1.0865508 1.0865508 (614.4427, 4180.75)(615.4572, 3760.2)(616.4564, 3771.41)(299.2113, 2260.27) 1 298.2043 298.2043@1.0865508 + 405.379@1.0836024 1.0836024 (406.3841, 1683.565)(407.3898, 677.23) 2 405.379 405.379@1.0836024 + 845.6065@1.0968894 1.0968894 (846.6139, 2873.5798)(847.6143, 1669.5349)(848.62164, 1007.68)(828.6096, 817.29)(829.6302, 636.94) 4 845.6065 845.6065@1.0968894 + 689.6303@1.1097245 1.1097245 (690.6373, 5469.4585)(691.63965, 3101.705)(672.6269, 4366.66)(673.6342, 2626.4) 7 689.6303 689.6303@1.1097245 + 442.2155@1.1101958 1.1101958 (443.22607, 5968.7773)(444.2231, 2071.4724)(445.2218, 1586.15) 4 442.2155 442.2155@1.1101958 + 773.6195@1.1109104 1.1109104 (774.6328, 2333.0)(775.6264, 1345.67) 3 773.6195 773.6195@1.1109104 + 700.5789@1.1245238 1.1245238 (701.5861, 1407.15)(702.5954, 1188.21) 1 700.5789 700.5789@1.1245238 + 467.4329@1.1241748 1.1241748 (468.43863, 1890.1044)(469.43768, 1291.855) 7 467.4329 467.4329@1.1241748 + 503.3828@1.1292046 1.1292046 (504.38852, 7613.3735)(505.3895, 2839.43)(521.41797, 5326.76)(522.4153, 2847.4568)(523.432, 1840.0)(526.3739, 2959.09) 3 503.3828 503.3828@1.1292046 + 713.479@1.1291611 1.1291611 (714.48645, 2782.37)(715.4947, 1702.43) 2 713.479 713.479@1.1291611 + 710.4242@1.1271222 1.1271222 (711.4341, 1467.935)(712.4541, 1496.07)(693.423, 1312.49)(694.4367, 968.99) 2 710.4242 710.4242@1.1271222 + 796.5287@1.1390848 1.1390848 (797.53595, 1435.895) 4 796.5287 796.5287@1.1390848 + 278.0695@1.1415113 1.1415113 (279.0767, 9736.0)(280.0795, 2391.51) 1 278.0695 278.0695@1.1415113 + 478.3342@1.1563687 1.1563687 (479.3422, 3125.004)(480.3484, 2550.93)(501.32446, 1484.6951) 5 478.3342 478.3342@1.1563687 + 780.4089@1.1535026 1.1535026 (781.4183, 1295.19)(763.4036, 1117.13) 1 780.4089 780.4089@1.1535026 + 403.2564@1.1406513 1.1406513 (404.26105, 5153.575)(386.2531, 102877.21)(387.2561, 27443.5) 2 403.2564 403.2564@1.1406513 + 555.3334@1.1664929 1.1664929 (556.3407, 1538.51)(557.3461, 893.78) 1 555.3334 555.3334@1.1664929 + 628.5021@1.1944382 1.1944382 (629.5069, 4886.6426)(630.50854, 2151.8074)(651.48517, 1013.92004) 4 628.5021 628.5021@1.1944382 + 347.2867@1.1724883 1.1724883 (712.6088, 1956.69)(713.6092, 1016.75)(348.2939, 10931.47) 1 347.2867 347.2867@1.1724883 + 414.314@1.1254332 1.1254332 (415.32178, 9061.705)(416.3212, 3499.18)(417.3326, 16606.92)(418.3341, 5432.97) 2 414.314 414.314@1.1254332 + 379.4044@1.187477 1.187477 (380.4117, 2277.31) 1 379.4044 379.4044@1.187477 + 292.1976@1.2260097 1.2260097 (293.2043, 13065.97)(294.2057, 6505.39)(310.2235, 7784.62)(311.2238, 2535.55) 3 292.1976 292.1976@1.2260097 + 157.0528@1.1873719 1.1873719 (158.05984, 4128.83) 2 157.0528 157.0528@1.1873719 + 251.1699@1.1924732 1.1924732 (252.1772, 4992.01) 1 251.1699 251.1699@1.1924732 + 462.1861@1.2117527 1.2117527 (463.1941, 6934.604)(464.20203, 3630.9548)(465.1965, 2375.45) 5 462.1861 462.1861@1.2117527 + 1277.3433@1.1929611 1.1929611 (1278.3511, 2518.0667)(1279.351, 1597.735)(1280.3538, 763.06) 3 1277.3433 1277.3433@1.1929611 + 201.0428@1.2093514 1.2093514 (202.04999, 2829.245)(203.0529, 725.27) 2 201.0428 201.0428@1.2093514 + 203.0583@1.2154554 1.2154554 (204.0656, 17699.94)(205.0741, 2574.04)(186.055, 5810.56)(187.0627, 1346.86) 1 203.0583 203.0583@1.2154554 + 372.1226@1.2172803 1.2172803 (373.12857, 2489.1267)(374.1339, 1015.19) 3 372.1226 372.1226@1.2172803 + 555.4301@1.2204515 1.2204515 (556.4373, 3563.52)(557.4296, 2315.9) 1 555.4301 555.4301@1.2204515 + 377.2414@1.2328335 1.2328335 (378.24936, 9017.05)(379.2494, 3698.7124) 4 377.2414 377.2414@1.2328335 + 547.9205@1.2347699 1.2347699 (548.9268, 2366.8635) 3 547.9205 547.9205@1.2347699 + 664.0046@1.2378758 1.2378758 (665.011, 2668.6501) 3 664.0046 664.0046@1.2378758 + 335.2708@1.2424343 1.2424343 (693.5298, 4078.05)(336.2791, 2315.59) 1 335.2708 335.2708@1.2424343 + 751.0676@1.2434334 1.2434334 (752.0749, 1922.16) 1 751.0676 751.0676@1.2434334 + 722.0438@1.2434334 1.2434334 (723.0511, 2099.4) 1 722.0438 722.0438@1.2434334 + 207.094@1.2454319 1.2454319 (208.1013, 7882.02) 1 207.094 207.094@1.2454319 + 240.1002@1.2484294 1.2484294 (241.1075, 5706.72)(242.1115, 1564.95) 1 240.1002 240.1002@1.2484294 + 540.4364@1.2504278 1.2504278 (541.4437, 2372.73)(542.4507, 731.12) 1 540.4364 540.4364@1.2504278 + 711.509@1.2524263 1.2524263 (712.5153, 1011.89)(729.5438, 1304.61) 1 711.509 711.509@1.2524263 + 370.2514@1.1713029 1.1713029 (371.2587, 14416.656)(372.25946, 5304.7)(353.2488, 11098.36) 6 370.2514 370.2514@1.1713029 + 371.1976@1.2534254 1.2534254 (372.2049, 4669.85) 1 371.1976 371.1976@1.2534254 + 566.46@1.2455657 1.2455657 (567.4652, 2547.44)(568.47406, 1948.475) 4 566.46 566.46@1.2455657 + 235.1545@1.2553228 1.2553228 (236.16211, 12840.224) 3 235.1545 235.1545@1.2553228 + 612.9526@1.2541575 1.2541575 (613.95996, 2182.725)(614.96234, 787.43) 2 612.9526 612.9526@1.2541575 + 648.4754@1.2549286 1.2549286 (649.48413, 1972.4268)(650.4764, 1538.5267)(651.487, 848.78) 3 648.4754 648.4754@1.2549286 + 554.4109@1.2574222 1.2574222 (555.4182, 3092.02) 1 554.4109 554.4109@1.2574222 + 612.4479@1.2574222 1.2574222 (613.4552, 3981.15)(614.4715, 3124.83)(615.4729, 1604.25) 1 612.4479 612.4479@1.2574222 + 148.1093@1.2574465 1.2574465 (149.1164, 8888.15)(150.1232, 1173.75) 2 148.1093 148.1093@1.2574465 + 165.0792@1.2584214 1.2584214 (166.0865, 11871.65) 1 165.0792 165.0792@1.2584214 + 518.3075@1.2594206 1.2594206 (519.3148, 1361.11)(536.3414, 3271.09)(537.3483, 1774.76) 1 518.3075 518.3075@1.2594206 + 321.2553@1.2589707 1.2589707 (660.5386, 723.75)(665.49896, 8426.745)(666.5019, 3109.035)(667.4943, 991.79)(322.26318, 4433.59) 2 321.2553 321.2553@1.2589707 + 745.6352@1.2614189 1.2614189 (746.6425, 1311.87) 1 745.6352 745.6352@1.2614189 + 221.1393@1.2639996 1.2639996 (222.147, 8108.3496) 2 221.1393 221.1393@1.2639996 + 236.1413@1.2291028 1.2291028 (237.14677, 6784.63)(238.1583, 1501.0399)(254.17323, 7845.5405) 5 236.1413 236.1413@1.2291028 + 106.0416@1.2873979 1.2873979 (107.0489, 1201.2) 1 106.0416 106.0416@1.2873979 + 331.2719@1.2993879 1.2993879 (332.2791, 4710.76)(333.282, 2064.72) 1 331.2719 331.2719@1.2993879 + 371.2665@1.3338261 1.3338261 (372.27325, 4917.2773)(373.27502, 1467.6475) 4 371.2665 371.2665@1.3338261 + 322.0964@1.3263655 1.3263655 (323.1037, 5138.3)(324.1062, 1438.61) 1 322.0964 322.0964@1.3263655 + 209.1629@1.3435717 1.3435717 (210.17021, 24463.107)(211.1731, 2830.8718)(212.16446, 50666.67) 6 209.1629 209.1629@1.3435717 + 576.9372@1.3343587 1.3343587 (577.9445, 767.41) 1 576.9372 576.9372@1.3343587 + 301.2334@1.3444273 1.3444273 (302.24133, 2345.1719)(303.24417, 840.1925) 5 301.2334 301.2334@1.3444273 + 248.1463@1.3933076 1.3933076 (249.1536, 3927.71) 1 248.1463 248.1463@1.3933076 + 599.9429@1.4032986 1.4032986 (600.9501, 1362.37) 1 599.9429 599.9429@1.4032986 + 151.1347@1.40636 1.40636 (152.1421, 4542.733) 3 151.1347 151.1347@1.40636 + 1351.3615@1.3872881 1.3872881 (1352.369, 2508.5066)(1353.3695, 2026.4401)(1354.3682, 1201.465) 3 1351.3615 1351.3615@1.3872881 + 453.2891@1.4304308 1.4304308 (454.2992, 1476.39)(455.309, 986.94)(471.3223, 1092.26) 3 453.2891 453.2891@1.4304308 + 253.1546@1.463244 1.463244 (254.1617, 6722.69)(255.1678, 1672.25)(276.1444, 1683.55) 1 253.1546 253.1546@1.463244 + 1424.3811@1.4822263 1.4822263 (1425.3884, 1029.61) 1 1424.3811 1424.3811@1.4822263 + 241.1315@1.4918742 1.4918742 (242.13873, 8342.427)(243.1397, 1969.0233) 6 241.1315 241.1315@1.4918742 + 669.5037@1.4843141 1.4843141 (670.5113, 2108.77)(671.5102, 1259.8)(692.4954, 620.32) 3 669.5037 669.5037@1.4843141 + 694.0159@1.5262575 1.5262575 (695.02264, 1293.88) 3 694.0159 694.0159@1.5262575 + 118.0803@1.5411698 1.5411698 (119.0876, 3882.81) 1 118.0803 118.0803@1.5411698 + 226.1317@1.5791322 1.5791322 (227.139, 7665.83) 1 226.1317 226.1317@1.5791322 + 664.491@1.5666834 1.5666834 (665.4987, 1496.3766)(666.5025, 787.4067) 3 664.491 664.491@1.5666834 + 529.3987@1.5398499 1.5398499 (530.4004, 1557.37)(531.4074, 1141.88)(532.3882, 778.14) 2 529.3987 529.3987@1.5398499 + 262.0418@1.6150959 1.6150959 (263.0491, 1447.15) 1 262.0418 262.0418@1.6150959 + 218.1766@1.6180927 1.6180927 (454.3881, 1540.75)(219.1836, 1962.87) 1 218.1766 218.1766@1.6180927 + 483.3038@1.6560533 1.6560533 (484.3111, 1025.35)(485.314, 696.36) 1 483.3038 483.3038@1.6560533 + 157.0529@1.662047 1.662047 (158.0602, 3129.78)(159.0682, 755.19) 1 157.0529 157.0529@1.662047 + 371.2325@1.6850227 1.6850227 (372.2398, 8100.69) 1 371.2325 371.2325@1.6850227 + 310.1487@1.7010056 1.7010056 (311.156, 6217.86)(312.1556, 792.91)(313.1474, 2060.6) 1 310.1487 310.1487@1.7010056 + 292.1518@1.721983 1.721983 (293.159, 6357.66)(294.1563, 2205.28) 1 292.1518 292.1518@1.721983 + 392.1133@1.731972 1.731972 (393.1206, 1986.0)(394.1213, 940.29) 1 392.1133 392.1133@1.731972 + 363.2619@1.7389643 1.7389643 (364.2685, 877.87)(346.2587, 4686.48)(347.2599, 1199.79)(348.2672, 705.83) 1 363.2619 363.2619@1.7389643 + 650.4773@1.845843 1.845843 (651.4846, 1690.03)(652.4909, 721.64) 1 650.4773 650.4773@1.845843 + 268.1039@1.9125891 1.9125891 (269.11072, 3003.8599)(270.1129, 1070.36) 2 268.1039 268.1039@1.9125891 + 199.0644@1.9157598 1.9157598 (200.0716, 8452.1)(201.0782, 2440.81) 1 199.0644 199.0644@1.9157598 + 74.0481@1.9447243 1.9447243 (149.1033, 1341.14)(75.0554, 8087.62) 1 74.0481 74.0481@1.9447243 + 166.099@1.9809301 1.9809301 (350.2313, 1404.05)(167.1064, 5544.2197)(168.1154, 1147.02)(169.0962, 2839.56) 2 166.099 166.099@1.9809301 + 340.2359@1.9829177 1.9829177 (341.24274, 2959.1465)(342.2446, 868.98334)(363.2232, 812.095) 3 340.2359 340.2359@1.9829177 + 234.0396@1.9896683 1.9896683 (235.0469, 929.31) 1 234.0396 234.0396@1.9896683 + 459.0109@2.012639 2.012639 (460.0182, 1592.68) 1 459.0109 459.0109@2.012639 + 444.9942@2.013638 2.013638 (446.0015, 5970.85)(447.0021, 1383.95) 1 444.9942 444.9942@2.013638 + 392.1114@2.0495915 2.0495915 (393.1187, 5477.65)(394.1216, 1168.48) 1 392.1114 392.1114@2.0495915 + 743.5759@2.1572146 2.1572146 (744.58356, 9721.3)(745.58685, 4489.61)(746.58716, 1210.435)(747.5877, 326.66) 2 743.5759 743.5759@2.1572146 + 743.5758@2.2151978 2.2151978 (744.5836, 11749.45)(745.5868, 5171.122)(746.5865, 1834.6602)(747.5906, 368.64) 5 743.5758 743.5758@2.2151978 + 515.2007@2.5199072 2.5199072 (516.208, 5204.57)(517.2107, 1554.65)(518.2087, 580.19) 1 515.2007 515.2007@2.5199072 + 553.0497@2.6926184 2.6926184 (554.057, 972.94) 1 553.0497 553.0497@2.6926184 + 162.0529@2.7768016 2.7768016 (325.1164, 772.82)(163.0605, 28812.791)(164.06577, 2411.234)(165.06635, 615.07) 5 162.0529 162.0529@2.7768016 + 114.0322@2.7662416 2.7662416 (115.03945, 2247.395)(97.0289, 19713.06)(98.0289, 1037.51)(99.0249, 764.35) 2 114.0322 114.0322@2.7662416 + 932.7685@2.764492 2.764492 (933.7758, 1673.93)(934.7809, 1216.29) 1 932.7685 932.7685@2.764492 + 757.2111@2.8177683 2.8177683 (758.21857, 10171.5205) 3 757.2111 757.2111@2.8177683 + 389.098@2.7804637 2.7804637 (390.1052, 22543.9) 1 389.098 389.098@2.7804637 + 390.0945@2.835256 2.835256 (781.1986, 1411.98)(391.10187, 76011.43)(392.10532, 10516.666)(393.10742, 2340.5266)(413.0821, 739.23) 5 390.0945 390.0945@2.835256 + 577.1477@2.8147502 2.8147502 (578.155, 4417.0) 2 577.1477 577.1477@2.8147502 + 570.1591@2.7688286 2.7688286 (571.166, 3528.6)(572.1716, 1232.69) 2 570.1591 570.1591@2.7688286 + 766.1952@2.8318977 2.8318977 (767.2019, 1653.67)(768.20624, 677.875) 2 766.1952 766.1952@2.8318977 + 860.6629@2.806417 2.806417 (861.6702, 3352.47)(862.6675, 1197.19) 1 860.6629 860.6629@2.806417 + 565.086@2.812406 2.812406 (566.0933, 1710.04) 1 565.086 565.086@2.812406 + 606.3985@2.8273787 2.8273787 (607.4058, 1379.2)(608.4025, 213.79)(609.3875, 316.55) 1 606.3985 606.3985@2.8273787 + 525.1366@2.8303733 2.8303733 (526.1439, 5682.15) 1 525.1366 525.1366@2.8303733 + 232.1534@2.8318691 2.8318691 (465.3088, 1211.27)(233.16072, 8181.053)(234.16075, 1354.67)(255.14345, 2059.825) 3 232.1534 232.1534@2.8318691 + 526.1331@2.8323698 2.8323698 (527.1403, 15842.2)(528.144, 3558.76) 1 526.1331 526.1331@2.8323698 + 172.1212@2.8329303 2.8329303 (173.1285, 9477.547)(174.13231, 1316.6533) 3 172.1212 172.1212@2.8329303 + 129.115@2.8308709 2.8308709 (130.12233, 10207.533)(131.12503, 933.49664) 3 129.115 129.115@2.8308709 + 276.967@2.8299115 2.8299115 (277.9743, 4206.665)(278.977, 1035.35) 2 276.967 276.967@2.8299115 + 486.1423@2.8573236 2.8573236 (487.1495, 1945.94)(488.1508, 752.62) 1 486.1423 486.1423@2.8573236 + 504.1513@2.8593202 2.8593202 (505.1586, 123288.1)(506.1615, 25473.46) 1 504.1513 504.1513@2.8593202 + 416.0334@2.8752906 2.8752906 (417.0406, 1093.57) 1 416.0334 416.0334@2.8752906 + 407.0523@2.8575835 2.8575835 (408.05896, 2183.085)(409.0696, 711.05) 2 407.0523 407.0523@2.8575835 + 434.1013@2.8952534 2.8952534 (435.1109, 1049.63)(417.0975, 3292.06) 1 434.1013 434.1013@2.8952534 + 760.2138@2.9152157 2.9152157 (761.2211, 2169.94)(762.228, 692.95) 1 760.2138 760.2138@2.9152157 + 367.1293@2.9478045 2.9478045 (368.13702, 1692.03) 2 367.1293 367.1293@2.9478045 + 946.2559@2.9491513 2.9491513 (947.2631, 1139.72) 1 946.2559 946.2559@2.9491513 + 410.1551@2.9823403 2.9823403 (411.16122, 6144.7246)(412.1569, 1848.1835)(413.16965, 854.1275) 8 410.1551 410.1551@2.9823403 + 366.0996@3.0677223 3.0677223 (367.10696, 2402.2131)(368.1093, 699.66)(389.08838, 1776.98)(390.1035, 1059.37) 3 366.0996 366.0996@3.0677223 + 812.228@3.0871594 3.0871594 (813.23553, 2807.41)(814.23865, 1183.7725)(835.2186, 849.73) 4 812.228 812.228@3.0871594 + 544.1478@3.0878978 3.0878978 (545.156, 1418.7401)(546.1545, 530.17)(567.13635, 3158.1423)(568.13824, 942.56) 4 544.1478 544.1478@3.0878978 + 848.2083@3.0892546 3.0892546 (849.2143, 1703.8365)(850.2151, 777.72) 3 848.2083 848.2083@3.0892546 + 618.078@3.0904164 3.0904164 (619.0851, 1893.432)(620.088, 857.13995)(641.0654, 862.91504) 5 618.078 618.078@3.0904164 + 294.0777@3.0892432 3.0892432 (295.08496, 1612.56)(317.0645, 1298.59) 3 294.0777 294.0777@3.0892432 + 580.1248@3.0948052 3.0948052 (581.1327, 2533.25)(582.1339, 695.44) 4 580.1248 580.1248@3.0948052 + 580.1686@3.0527725 3.0527725 (581.1732, 1694.56)(582.1771, 766.54)(563.1659, 8258.38)(564.1688, 2032.09)(603.1573, 1704.39) 3 580.1686 580.1686@3.0527725 + 404.119@3.0918717 3.0918717 (405.1263, 980.47) 1 404.119 404.119@3.0918717 + 75.0318@3.3786647 3.3786647 (76.0391, 3725.765) 2 75.0318 75.0318@3.3786647 + 903.685@3.3364635 3.3364635 (904.6926, 6239.6377)(905.6962, 3424.4724)(906.69916, 1198.11)(907.7011, 189.3) 4 903.685 903.685@3.3364635 + 460.3562@3.2960773 3.2960773 (461.36334, 6837.795)(462.36517, 1072.76) 2 460.3562 460.3562@3.2960773 + 408.1445@3.3573127 3.3573127 (409.1517, 3321.4)(410.1532, 1104.83) 1 408.1445 408.1445@3.3573127 + 205.0377@3.4910114 3.4910114 (206.045, 1372.5)(228.0267, 700.81) 1 205.0377 205.0377@3.4910114 + 648.1346@3.6928282 3.6928282 (649.14355, 1341.07)(650.1468, 1238.38) 3 648.1346 648.1346@3.6928282 + 532.3175@3.9109795 3.9109795 (533.3247, 4913.23)(534.3293, 2142.97) 1 532.3175 532.3175@3.9109795 + 686.4867@3.9339192 3.9339192 (687.4939, 1011.43) 1 686.4867 686.4867@3.9339192 + 561.4032@3.9435036 3.9435036 (562.4097, 1784.67)(563.4093, 949.83997)(564.4242, 878.13) 3 561.4032 561.4032@3.9435036 + 697.5019@3.989771 3.989771 (698.5092, 1237.7) 1 697.5019 697.5019@3.989771 + 554.4261@4.041631 4.041631 (555.4334, 1261.25) 1 554.4261 554.4261@4.041631 + 533.341@4.0716896 4.0716896 (534.3479, 4763.5273)(535.3439, 1861.5166)(536.3481, 915.3867) 7 533.341 533.341@4.0716896 + 654.1356@4.0900497 4.0900497 (655.1427, 1204.37) 2 654.1356 654.1356@4.0900497 + 738.0232@4.134376 4.134376 (739.0305, 1025.01) 1 738.0232 738.0232@4.134376 + 503.8653@4.1463428 4.1463428 (504.8726, 1017.14) 1 503.8653 503.8653@4.1463428 + 920.6839@4.1543202 4.1543202 (921.6912, 862.49) 1 920.6839 920.6839@4.1543202 + 395.3395@4.1942077 4.1942077 (396.3468, 1232.22) 1 395.3395 395.3395@4.1942077 + 610.1007@4.2281117 4.2281117 (611.108, 1491.27) 1 610.1007 610.1007@4.2281117 + 494.5618@4.233323 4.233323 (495.5684, 1099.9266) 3 494.5618 494.5618@4.233323 + 668.6119@4.2217155 4.2217155 (669.6211, 1101.1733) 3 668.6119 668.6119@4.2217155 + 303.2922@4.306884 4.306884 (304.2995, 34513.98)(305.3028, 8717.57)(306.3063, 1104.78) 1 303.2922 303.2922@4.306884 + 402.1944@4.3168545 4.3168545 (403.2016, 2392.54)(404.206, 1118.26) 1 402.1944 402.1944@4.3168545 + 672.473@4.322837 4.322837 (673.4803, 937.24)(674.4836, 766.16) 1 672.473 672.473@4.322837 + 683.4825@4.341781 4.341781 (684.4898, 1041.59) 1 683.4825 683.4825@4.341781 + 577.3669@4.3499885 4.3499885 (578.3742, 5050.748)(579.3745, 1824.5281)(580.37665, 1071.085) 5 577.3669 577.3669@4.3499885 + 315.1906@4.3737264 4.3737264 (316.1979, 8612.1)(317.20074, 2026.135) 2 315.1906 315.1906@4.3737264 + 188.1166@4.435501 4.435501 (189.1239, 6041.15)(190.1174, 1328.85) 1 188.1166 188.1166@4.435501 + 232.142@4.4643307 4.4643307 (233.14937, 6940.4126)(234.15105, 1263.91) 3 232.142 232.142@4.4643307 + 173.048@4.5381866 4.5381866 (174.0553, 2793.16) 1 173.048 173.048@4.5381866 + 272.1739@4.5860367 4.5860367 (273.1812, 5913.08)(274.1909, 1624.82) 1 272.1739 272.1739@4.5860367 + 621.3934@4.6068277 4.6068277 (622.401, 4277.585)(623.40424, 1606.1426) 4 621.3934 621.3934@4.6068277 + 516.3022@4.6209264 4.6209264 (517.3095, 860.12) 1 516.3022 516.3022@4.6209264 + 216.1109@4.62461 4.62461 (217.118, 7853.65)(218.12631, 1151.72)(219.12285, 834.82) 3 216.1109 216.1109@4.62461 + 184.1004@4.7644625 4.7644625 (185.1076, 13512.51)(186.1109, 1935.23) 1 184.1004 184.1004@4.7644625 + 281.0345@4.7882743 4.7882743 (282.0418, 1846.175) 2 281.0345 281.0345@4.7882743 + 601.4352@4.8312416 4.8312416 (602.4425, 4870.04)(603.4437, 813.85) 1 601.4352 601.4352@4.8312416 + 665.4198@4.840995 4.840995 (666.427, 2573.8774)(667.43024, 955.44) 4 665.4198 665.4198@4.840995 + 266.1055@4.923928 4.923928 (267.1127, 2326.2)(268.1159, 823.36) 1 266.1055 266.1055@4.923928 + 645.4617@4.984605 4.984605 (646.4686, 7011.415)(647.4708, 850.08997) 2 645.4617 645.4617@4.984605 + 222.0983@4.9847183 4.9847183 (223.1055, 5439.7)(224.1103, 1023.81) 1 222.0983 222.0983@4.9847183 + 709.4462@5.0412593 5.0412593 (710.453, 2209.275)(711.4642, 1015.01) 2 709.4462 709.4462@5.0412593 + 426.3819@5.055471 5.055471 (427.3891, 2079.1)(428.3907, 987.08) 1 426.3819 426.3819@5.055471 + 458.7889@5.056467 5.056467 (459.7962, 1454.04) 1 458.7889 458.7889@5.056467 + 286.0406@5.095605 5.095605 (287.0481, 1751.24) 2 286.0406 286.0406@5.095605 + 209.1263@5.1728587 5.1728587 (210.13383, 19203.703)(211.1418, 1986.87)(192.1236, 865.1)(232.11543, 13056.257)(233.11966, 1752.0249)(234.121, 639.17) 3 209.1263 209.1263@5.1728587 + 275.0797@5.3175173 5.3175173 (276.0869, 1561.56) 1 275.0797 275.0797@5.3175173 + 1003.6723@5.3633447 5.3633447 (1004.6796, 985.27)(1005.6826, 673.59) 1 1003.6723 1003.6723@5.3633447 + 975.6417@5.3619394 5.3619394 (976.64966, 1783.445)(977.652, 1535.29) 2 975.6417 975.6417@5.3619394 + 688.9206@5.367986 5.367986 (689.9286, 1890.0751) 8 688.9206 688.9206@5.367986 + 959.6462@5.3993564 5.3993564 (960.6526, 1969.5634)(961.6664, 567.53)(982.6377, 812.61) 3 959.6462 959.6462@5.3993564 + 903.4683@5.4030776 5.4030776 (904.4756, 4448.27)(905.4776, 2144.7) 3 903.4683 903.4683@5.4030776 + 977.6545@5.4031415 5.4031415 (978.6616, 1532.1533)(979.66504, 956.92676)(980.6516, 1254.59)(960.6495, 2084.04)(961.6536, 1671.34)(962.6582, 1095.28) 3 977.6545 977.6545@5.4031415 + 509.6949@5.4131546 5.4131546 (510.7022, 1111.48) 1 509.6949 509.6949@5.4131546 + 801.5347@5.433481 5.433481 (802.5382, 25636.229)(803.54175, 14390.342)(804.5517, 184042.77) 9 801.5347 801.5347@5.433481 + 949.6332@5.415691 5.415691 (950.64484, 1159.0366)(951.6371, 914.73)(952.648, 989.48)(932.6296, 3766.46)(933.6342, 2264.83)(934.6433, 1794.99) 3 949.6332 949.6332@5.415691 + 865.5108@5.4716434 5.4716434 (866.52216, 5659.49)(867.5247, 2833.5967)(868.5337, 7794.525)(869.53613, 4012.29)(870.5541, 15685.99) 3 865.5108 865.5108@5.4716434 + 864.597@5.465951 5.465951 (865.6043, 8545.74) 1 864.597 864.597@5.465951 + 825.042@5.4506316 5.4506316 (826.0478, 1339.52) 2 825.042 825.042@5.4506316 + 733.0122@5.4749165 5.4749165 (734.0194, 854.34) 1 733.0122 733.0122@5.4749165 + 832.5785@5.4618487 5.4618487 (833.5793, 21861.682) 3 832.5785 832.5785@5.4618487 + 945.5178@5.4998198 5.4998198 (946.525, 1369.31)(947.5128, 922.33) 1 945.5178 945.5178@5.4998198 + 393.7687@5.5048 5.5048 (394.776, 1933.44) 1 393.7687 393.7687@5.5048 + 795.0352@5.5097804 5.5097804 (796.0425, 2051.17)(797.0473, 1575.68)(798.0552, 925.44) 1 795.0352 795.0352@5.5097804 + 1099.7625@5.514895 5.514895 (1100.7715, 1249.0468)(1101.774, 800.49335)(1102.7816, 807.305) 3 1099.7625 1099.7625@5.514895 + 879.5676@5.5326905 5.5326905 (880.5749, 6578.87)(881.5706, 3538.49) 1 879.5676 879.5676@5.5326905 + 384.7665@5.535679 5.535679 (385.7738, 1720.6) 1 384.7665 384.7665@5.535679 + 787.0379@5.532304 5.532304 (788.0447, 2224.855)(789.0506, 2035.28) 2 787.0379 787.0379@5.532304 + 1139.7561@5.576517 5.576517 (1140.7634, 762.38)(1141.7684, 559.77) 1 1139.7561 1139.7561@5.576517 + 344.116@5.5795054 5.5795054 (345.1233, 2228.68)(346.1269, 899.39) 1 344.116 344.116@5.5795054 + 1538.1053@5.6123743 5.6123743 (1539.1125, 1274.32)(1540.1226, 1280.69)(1541.1252, 1048.08)(1542.1393, 261.9) 1 1538.1053 1538.1053@5.6123743 + 994.5322@5.611781 5.611781 (995.5399, 1169.5851)(996.5391, 776.2414)(997.55273, 805.505) 8 994.5322 994.5322@5.611781 + 765.5597@5.58959 5.58959 (1532.1237, 1296.44)(1533.1259, 1214.44)(1534.1259, 1060.71)(1554.1074, 1601.95)(1555.1082, 1351.56)(1556.1158, 923.74)(766.57007, 1944.715)(767.5741, 658.58) 2 765.5597 765.5597@5.58959 + 777.5155@5.660182 5.660182 (778.5228, 1009.56)(779.5155, 529.6) 1 777.5155 777.5155@5.660182 + 740.4606@5.6801014 5.6801014 (741.4679, 1805.27)(742.4695, 1088.75) 1 740.4606 740.4606@5.6801014 + 769.4828@5.6930485 5.6930485 (770.4901, 2223.63)(771.4909, 1255.49) 1 769.4828 769.4828@5.6930485 + 834.5814@5.7020116 5.7020116 (835.5887, 8682.87)(836.5904, 5767.48)(837.5942, 1433.91) 1 834.5814 834.5814@5.7020116 + 719.5468@5.6793213 5.6793213 (720.5555, 1584.0801)(721.5561, 911.87335) 3 719.5468 719.5468@5.6793213 + 735.4673@5.7381296 5.7381296 (736.475, 2681.9226)(737.47784, 1215.9675)(738.4563, 1165.04)(758.4616, 1706.91) 4 735.4673 735.4673@5.7381296 + 658.4032@5.7727213 5.7727213 (659.4104, 2871.11)(660.4209, 2165.05)(661.4209, 1074.56) 1 658.4032 658.4032@5.7727213 + 734.4755@5.8085723 5.8085723 (735.4827, 1161.3) 1 734.4755 734.4755@5.8085723 + 819.4247@5.823715 5.823715 (820.43567, 1390.5449)(821.44385, 902.395)(822.4514, 2339.52)(823.4607, 1215.54) 2 819.4247 819.4247@5.823715 + 879.4095@5.822211 5.822211 (880.41644, 1399.48)(881.4243, 791.735) 2 879.4095 879.4095@5.822211 + 430.7734@5.8304806 5.8304806 (431.7807, 1990.57) 1 430.7734 430.7734@5.8304806 + 480.7632@5.8309617 5.8309617 (962.5365, 1311.95)(963.5439, 987.35)(964.5438, 2349.56)(965.5459, 1425.19)(966.5368, 920.63)(979.5449, 2018.85)(980.5451, 1393.52)(981.549, 1250.35)(984.5173, 1217.83)(985.5287, 830.55)(481.76538, 887.8167) 3 480.7632 480.7632@5.8309617 + 839.0549@5.8314633 5.8314633 (840.0609, 1171.97)(841.0663, 916.6)(842.08026, 1905.69)(843.0774, 3338.18)(844.0752, 3848.87) 2 839.0549 839.0549@5.8314633 + 809.5227@5.789463 5.789463 (810.5284, 8246.667)(811.5303, 3502.1667)(812.5408, 3489.86) 3 809.5227 809.5227@5.789463 + 873.5661@5.7987757 5.7987757 (874.5773, 11809.814)(875.5769, 6387.6)(876.57007, 76060.77)(877.573, 24193.05)(878.574, 13038.07)(896.56146, 5704.73)(897.55975, 4243.5)(898.5668, 2258.26)(899.5557, 1414.01) 4 873.5661 873.5661@5.7987757 + 1422.7311@5.836679 5.836679 (1423.7396, 1500.2999) 3 1422.7311 1422.7311@5.836679 + 727.4657@5.8394427 5.8394427 (728.473, 2543.77)(729.4795, 1342.28) 1 727.4657 727.4657@5.8394427 + 742.4967@5.8419256 5.8419256 (743.50525, 2397.115)(744.5032, 1822.42) 2 742.4967 742.4967@5.8419256 + 472.7641@5.843426 5.843426 (968.5196, 1039.62)(969.5182, 622.12)(970.5099, 1036.97)(473.7708, 1730.59)(474.7724, 841.45) 1 472.7641 472.7641@5.843426 + 729.4247@5.8469276 5.8469276 (730.432, 2889.5151)(731.4414, 1069.79)(732.4275, 1660.72) 2 729.4247 729.4247@5.8469276 + 669.3243@5.8397956 5.8397956 (670.3316, 1937.3014)(671.3341, 1005.37335) 8 669.3243 669.3243@5.8397956 + 861.4022@5.853384 5.853384 (862.4095, 2077.56)(863.4198, 1180.66) 1 861.4022 861.4022@5.853384 + 507.2493@5.8464093 5.8464093 (1032.534, 1567.37)(1033.539, 973.61)(1034.5336, 912.6)(508.2606, 934.985)(509.2625, 616.33) 2 507.2493 507.2493@5.8464093 + 809.3882@5.8862453 5.8862453 (810.3955, 1041.0)(811.4168, 757.21) 1 809.3882 809.3882@5.8862453 + 719.4351@5.885624 5.885624 (720.438, 3109.765)(721.44006, 1283.495)(722.4603, 4636.91) 4 719.4351 719.4351@5.885624 + 595.7369@5.9181094 5.9181094 (596.7442, 1187.81) 1 595.7369 595.7369@5.9181094 + 947.5577@5.9191055 5.9191055 (948.565, 1219.18) 1 947.5577 947.5577@5.9191055 + 775.3466@5.9444504 5.9444504 (776.35376, 2573.605)(777.3573, 1079.075)(778.35913, 842.875) 2 775.3466 775.3466@5.9444504 + 719.4227@5.95739 5.95739 (720.4267, 2959.04)(721.4287, 1213.6)(742.4123, 9357.465)(743.41846, 3892.5898)(744.41644, 5332.75)(745.4093, 2687.42)(746.4238, 1316.24) 2 719.4227 719.4227@5.95739 + 950.51@6.025219 6.025219 (951.5226, 1141.3049)(952.5492, 451.43) 2 950.51 950.51@6.025219 + 755.4183@5.9629173 5.9629173 (756.4255, 1909.65)(757.4262, 916.64)(758.438, 2614.73) 1 755.4183 755.4183@5.9629173 + 926.5153@5.9656286 5.9656286 (927.5246, 1493.6951)(928.543, 945.85)(929.5476, 1061.78)(909.5142, 3902.0)(910.527, 3501.28)(911.5289, 1433.43) 4 926.5153 926.5153@5.9656286 + 930.5094@5.964909 5.964909 (931.5167, 1459.51) 1 930.5094 930.5094@5.964909 + 729.436@5.964909 5.964909 (730.4433, 3332.92)(731.4384, 1711.52)(732.4381, 3791.49)(733.4406, 1369.0) 1 729.436 729.436@5.964909 + 771.44@5.968338 5.968338 (772.4518, 1944.335)(773.4647, 1042.16)(774.4386, 1236.92)(794.4333, 1182.79)(795.4325, 797.18)(796.4295, 1087.55) 2 771.44 771.44@5.968338 + 919.5322@5.969302 5.969302 (920.5479, 2023.75)(921.5502, 1174.47)(922.54834, 1232.895)(942.5208, 1873.12)(943.5155, 1382.2)(944.5353, 1648.95)(945.5373, 1292.11)(946.542, 1254.4) 2 919.5322 919.5322@5.969302 + 716.423@5.967841 5.967841 (717.42993, 18565.58)(718.4335, 11101.4)(719.4407, 3788.375) 2 716.423 716.423@5.967841 + 873.5676@5.914981 5.914981 (874.5646, 3147.0781)(875.5685, 2173.5625)(876.5765, 2991.17)(877.5834, 690.17)(856.5682, 1384.07)(857.5731, 609.0)(858.5786, 525.34)(896.552, 1830.535)(897.5509, 1000.81995)(898.5753, 1050.87) 5 873.5676 873.5676@5.914981 + 713.4052@5.968521 5.968521 (714.4113, 3624.4153)(715.41254, 1856.9161)(716.4275, 5411.575)(717.43146, 2418.13)(718.4305, 2732.22)(736.3952, 678.05) 12 713.4052 713.4052@5.968521 + 801.521@6.002338 6.002338 (802.52637, 1606.865)(803.52795, 1168.675)(804.53796, 3105.7249)(805.5418, 2773.97) 2 801.521 801.521@6.002338 + 695.4365@5.9745793 5.9745793 (696.4414, 5397.1187)(697.4442, 2361.8887)(698.43695, 7415.832)(699.4409, 3080.384) 7 695.4365 695.4365@5.9745793 + 881.5583@5.9818354 5.9818354 (882.5656, 2748.73)(883.5676, 1488.79)(884.5838, 2335.62) 1 881.5583 881.5583@5.9818354 + 699.4444@5.9848228 5.9848228 (700.4517, 49354.38)(701.4551, 19351.26)(702.4598, 7443.08)(703.4675, 2433.74) 1 699.4444 699.4444@5.9848228 + 667.4382@6.0246496 6.0246496 (668.4455, 1123.6) 1 667.4382 667.4382@6.0246496 + 717.4547@6.126843 6.126843 (718.4626, 3248.13)(719.468, 1411.3534)(720.4801, 3670.59) 3 717.4547 717.4547@6.126843 + 165.0994@6.056804 6.056804 (166.10635, 3973.865)(167.1153, 1200.63)(188.08939, 3590.975)(189.0937, 675.11) 2 165.0994 165.0994@6.056804 + 58.0652@6.1003165 6.1003165 (59.0725, 4165.45) 1 58.0652 58.0652@6.1003165 + 755.4705@6.1121235 6.1121235 (756.47705, 3109.0522)(757.4803, 1827.21)(758.464, 1175.525) 4 755.4705 755.4705@6.1121235 + 675.4359@6.179393 6.179393 (676.44794, 11151.64)(677.45215, 3961.565)(698.427, 3216.99)(699.4303, 1543.75) 2 675.4359 675.4359@6.179393 + 707.4341@6.1769743 6.1769743 (708.4414, 4325.76)(709.4456, 1806.47) 1 707.4341 707.4341@6.1769743 + 890.4435@6.1799607 6.1799607 (891.4508, 1184.01)(892.455, 903.56) 1 890.4435 890.4435@6.1799607 + 681.4194@6.1799607 6.1799607 (682.4266, 3067.6)(683.4297, 1912.58)(684.421, 9971.52)(685.4256, 3476.51) 1 681.4194 681.4194@6.1799607 + 564.0688@6.180956 6.180956 (565.0761, 953.8) 1 564.0688 564.0688@6.180956 + 888.4885@6.182947 6.182947 (889.4958, 2456.92)(890.505, 2021.52)(891.5061, 1276.7)(906.5222, 1001.18)(907.5168, 1258.24)(908.5242, 2549.1)(909.5469, 745.7)(910.5404, 1724.07) 1 888.4885 888.4885@6.182947 + 778.4182@6.183943 6.183943 (779.4254, 1036.33)(780.4303, 757.35) 1 778.4182 778.4182@6.183943 + 153.0767@6.1788483 6.1788483 (329.14307, 972.57)(154.08513, 4124.8374)(136.07584, 5627.1636)(176.0658, 9836.635)(177.069, 1342.43) 4 153.0767 153.0767@6.1788483 + 807.3935@6.182038 6.182038 (808.407, 2151.1)(809.4043, 1563.6775)(810.4136, 1247.815) 4 807.3935 807.3935@6.182038 + 931.5089@6.2486777 6.2486777 (932.5152, 1330.025)(914.5069, 1614.54)(915.5083, 900.24)(916.5191, 2120.84)(954.503, 1139.77) 2 931.5089 931.5089@6.2486777 + 910.4358@6.1892786 6.1892786 (911.44543, 2078.1948)(912.45386, 1164.55)(913.4585, 1006.3) 2 910.4358 910.4358@6.1892786 + 681.419@6.2257533 6.2257533 (682.4262, 3738.81)(683.4319, 1900.83) 1 681.419 681.419@6.2257533 + 606.0891@6.1464863 6.1464863 (607.09503, 1385.3833)(608.1016, 783.13) 3 606.0891 606.0891@6.1464863 + 665.4507@6.1953096 6.1953096 (666.4586, 2518.7651)(667.47217, 1195.48) 2 665.4507 665.4507@6.1953096 + 593.4045@6.245146 6.245146 (594.41187, 2201.795)(595.41223, 970.4) 2 593.4045 593.4045@6.245146 + 681.4201@6.264576 6.264576 (682.4274, 4330.89)(683.431, 1955.52)(684.4218, 2062.3) 1 681.4201 681.4201@6.264576 + 631.2686@6.271544 6.271544 (632.2758, 1517.85) 1 631.2686 631.2686@6.271544 + 800.4285@6.327287 6.327287 (801.4358, 923.87)(802.451, 794.08) 1 800.4285 800.4285@6.327287 + 789.4726@6.3240204 6.3240204 (790.4847, 1002.105)(791.4881, 574.755)(792.46356, 1421.52)(793.4631, 1002.34)(794.4472, 476.09)(772.4652, 2616.48)(773.4663, 1089.34)(774.4725, 627.97)(807.5033, 1509.32) 2 789.4726 789.4726@6.3240204 + 709.3946@6.357938 6.357938 (710.40094, 9082.95)(711.40466, 3459.895)(712.4149, 3853.84)(713.4213, 803.64) 2 709.3946 709.3946@6.357938 + 655.3737@6.359139 6.359139 (656.3809, 6736.28)(657.3924, 2821.26) 1 655.3737 655.3737@6.359139 + 658.3985@6.4178634 6.4178634 (659.4058, 1714.34) 1 658.3985 658.3985@6.4178634 + 695.3773@6.4268208 6.4268208 (696.3845, 3265.91)(697.393, 1130.42) 1 695.3773 695.3773@6.4268208 + 794.5689@6.3527756 6.3527756 (795.5721, 1593.35)(796.57745, 1109.9467)(797.5847, 915.495) 3 794.5689 794.5689@6.3527756 + 849.5723@6.452698 6.452698 (850.5796, 4388.5)(851.5847, 1194.75) 1 849.5723 849.5723@6.452698 + 365.2441@6.4586697 6.4586697 (731.4948, 2320.54)(366.2523, 2041.16) 1 365.2441 365.2441@6.4586697 + 759.4388@6.46066 6.46066 (760.4458, 4280.43)(761.4448, 1384.9)(777.479, 958.66) 1 759.4388 759.4388@6.46066 + 732.5394@6.4766793 6.4766793 (733.54767, 2338.1282)(755.52814, 1064.9299)(756.5508, 305.7) 5 732.5394 732.5394@6.4766793 + 294.0404@6.536298 6.536298 (295.0477, 2711.44) 1 294.0404 294.0404@6.536298 + 659.407@6.5867543 6.5867543 (660.4173, 4028.9502)(661.42035, 2305.635)(662.4042, 3253.475) 3 659.407 659.407@6.5867543 + 968.5321@6.5721235 6.5721235 (969.5394, 853.84)(970.5452, 754.8) 1 968.5321 968.5321@6.5721235 + 663.3728@6.621032 6.621032 (664.38086, 2930.9133)(665.38416, 1340.895)(646.3694, 8238.38)(647.3727, 2931.5)(648.3845, 2430.62) 3 663.3728 663.3728@6.621032 + 714.5327@6.5790896 6.5790896 (715.5399, 1330.29)(716.5447, 933.39) 1 714.5327 714.5327@6.5790896 + 619.3479@6.5857882 6.5857882 (620.35376, 3574.8398)(621.35846, 1288.04)(622.371, 4971.41)(623.3735, 1984.17) 3 619.3479 619.3479@6.5857882 + 785.4953@6.5880466 6.5880466 (786.5025, 977.0)(787.4883, 889.46) 1 785.4953 785.4953@6.5880466 + 749.5894@6.6119294 6.6119294 (750.5967, 1152.38) 1 749.5894 749.5894@6.6119294 + 870.5635@6.6517334 6.6517334 (871.5707, 3293.4)(872.5659, 1933.58)(873.5686, 1205.47) 1 870.5635 870.5635@6.6517334 + 715.4151@6.667911 6.667911 (716.4244, 2700.1833)(717.434, 1415.9567)(718.42865, 2300.69)(719.4336, 1029.1)(720.4403, 2774.35) 3 715.4151 715.4151@6.667911 + 1001.6544@6.6533084 6.6533084 (1002.6629, 1771.8158)(1003.66583, 1184.1399)(1004.6678, 776.85)(1024.6418, 1309.132)(1025.6431, 1177.365)(1026.6489, 727.2) 7 1001.6544 1001.6544@6.6533084 + 809.4541@6.659114 6.659114 (810.4592, 1785.2649)(811.4569, 894.55005)(812.4657, 2497.535)(813.4709, 740.52)(814.4699, 825.8)(827.4839, 737.63) 2 809.4541 809.4541@6.659114 + 956.5053@6.655951 6.655951 (957.5142, 1403.1766)(958.5262, 1150.9867)(959.52783, 1269.8334) 3 956.5053 956.5053@6.655951 + 624.4154@6.6596947 6.6596947 (625.4227, 6521.0)(626.4234, 1846.88)(647.4046, 2566.78) 1 624.4154 624.4154@6.6596947 + 147.0895@6.6614614 6.6614614 (148.09666, 11626.737)(149.10306, 834.42505)(130.08647, 36346.723)(131.08633, 3472.4368) 3 147.0895 147.0895@6.6614614 + 825.4499@6.659349 6.659349 (826.4597, 1628.3201)(827.4452, 945.28)(828.4606, 1510.65)(829.4602, 699.29) 2 825.4499 825.4499@6.659349 + 841.4457@6.665665 6.665665 (842.453, 1322.68)(843.4735, 1181.57) 1 841.4457 841.4457@6.665665 + 580.4219@6.66666 6.66666 (581.4291, 11285.23) 1 580.4219 580.4219@6.66666 + 797.4451@6.673149 6.673149 (798.44934, 1812.934)(799.4513, 1044.8225)(800.4472, 1202.74)(780.4417, 1435.28)(781.4432, 922.04)(782.4531, 2059.98) 5 797.4451 797.4451@6.673149 + 641.2998@6.682581 6.682581 (642.307, 1481.81) 1 641.2998 641.2998@6.682581 + 229.0387@6.6965117 6.6965117 (230.046, 1494.25) 1 229.0387 229.0387@6.6965117 + 539.3151@6.705467 6.705467 (540.3223, 2668.84)(541.3117, 877.1) 1 539.3151 539.3151@6.705467 + 858.5008@6.707457 6.707457 (859.508, 1058.0)(860.5116, 617.28)(861.5041, 900.08) 1 858.5008 858.5008@6.707457 + 732.4401@6.7151666 6.7151666 (733.4469, 3758.885)(734.44885, 2908.525)(735.4394, 1117.52) 2 732.4401 732.4401@6.7151666 + 854.5125@6.717407 6.717407 (855.5198, 1227.03)(856.5275, 685.36)(857.5197, 1185.9) 1 854.5125 854.5125@6.717407 + 1125.7@6.7369194 6.7369194 (1126.7072, 1455.4)(1127.6888, 1376.2933)(1128.6832, 1559.02) 3 1125.7 1125.7@6.7369194 + 1087.667@6.736364 6.736364 (1088.6763, 5270.132)(1105.7004, 1991.055)(1106.6841, 1155.46)(1107.6812, 892.27) 8 1087.667 1087.667@6.736364 + 1144.7089@6.7469053 6.7469053 (1145.7188, 1572.935)(1146.7217, 1371.9651) 2 1144.7089 1144.7089@6.7469053 + 1154.7043@6.75244 6.75244 (1155.7164, 2307.9417)(1156.7146, 1753.0042)(1157.6943, 1263.4434)(1137.7006, 3769.06)(1138.7018, 2669.04)(1139.6991, 1725.24) 6 1154.7043 1154.7043@6.75244 + 633.3955@6.7552176 6.7552176 (634.4027, 3918.52)(635.4061, 1692.31) 1 633.3955 633.3955@6.7552176 + 567.3527@6.7606387 6.7606387 (568.36035, 41148.258)(569.36255, 12275.766)(590.3426, 5043.52)(591.3465, 1639.26) 2 567.3527 567.3527@6.7606387 + 1081.1707@6.7612586 6.7612586 (1082.1884, 2236.3367)(1083.1954, 2239.59)(1084.1941, 2230.44) 3 1081.1707 1081.1707@6.7612586 + 1043.6986@6.780078 6.780078 (1044.7057, 50249.332)(1066.6886, 79510.4) 5 1043.6986 1043.6986@6.780078 + 511.3317@6.834793 6.834793 (512.3361, 5920.06)(513.3414, 2227.4465) 3 511.3317 511.3317@6.834793 + 778.479@6.8467526 6.8467526 (779.4863, 2501.07)(780.4948, 1956.87) 1 778.479 778.479@6.8467526 + 696.4406@6.85842 6.85842 (697.44794, 9441.95)(698.4492, 2910.6467)(699.44446, 979.03) 3 696.4406 696.4406@6.85842 + 754.4823@6.860681 6.860681 (755.4922, 1371.89)(777.4705, 1790.06) 1 754.4823 754.4823@6.860681 + 792.4675@6.8620076 6.8620076 (793.4756, 2131.635)(775.4606, 1299.91) 4 792.4675 792.4675@6.8620076 + 926.5319@6.865656 6.865656 (927.5392, 1081.4)(928.5427, 697.85)(929.534, 590.09) 1 926.5319 926.5319@6.865656 + 663.2401@6.875911 6.875911 (664.2465, 3786.3054)(665.25336, 1124.1875)(666.24615, 2884.8901)(667.2486, 950.80664)(646.2364, 1049.43)(686.22906, 1452.054)(687.2326, 1004.41504)(688.2278, 1479.7949) 6 663.2401 663.2401@6.875911 + 841.4537@6.8766 6.8766 (842.461, 1141.14)(843.4839, 737.16) 1 841.4537 841.4537@6.8766 + 931.5068@6.878589 6.878589 (932.5141, 1298.78)(933.5118, 781.38)(934.5278, 933.07)(954.4962, 695.45) 1 931.5068 931.5068@6.878589 + 787.4616@6.880579 6.880579 (788.4674, 2820.54)(789.4694, 1272.78)(790.4498, 886.45)(810.4537, 1958.33)(811.4615, 929.27) 1 787.4616 787.4616@6.880579 + 645.2307@6.880579 6.880579 (646.2379, 1270.35) 1 645.2307 645.2307@6.880579 + 939.5084@6.882569 6.882569 (940.5157, 1097.69)(941.5229, 870.0)(942.5293, 1316.72) 1 939.5084 939.5084@6.882569 + 883.4816@6.883564 6.883564 (884.4889, 837.66)(885.4768, 689.19) 1 883.4816 883.4816@6.883564 + 621.3248@6.887543 6.887543 (622.332, 3358.61)(623.3345, 1574.67) 1 621.3248 621.3248@6.887543 + 1040.6051@6.903299 6.903299 (1041.6141, 1723.9501)(1042.6167, 958.32666) 3 1040.6051 1040.6051@6.903299 + 646.3954@6.8709564 6.8709564 (647.39233, 1387.3434)(648.3995, 1112.57) 3 646.3954 646.3954@6.8709564 + 525.3561@6.9156723 6.9156723 (526.3623, 2096.6548)(527.36, 1287.36) 4 525.3561 525.3561@6.9156723 + 571.3031@6.9259205 6.9259205 (572.3113, 4211.9897)(573.3135, 1432.605)(594.2955, 834.1) 2 571.3031 571.3031@6.9259205 + 549.336@6.916973 6.916973 (550.34375, 6052.3)(551.34863, 2413.19) 2 549.336 549.336@6.916973 + 615.2591@6.9193783 6.9193783 (616.2664, 1262.19) 1 615.2591 615.2591@6.9193783 + 593.2864@6.920373 6.920373 (594.2937, 1862.33)(595.3099, 719.24) 1 593.2864 593.2864@6.920373 + 621.3257@6.981227 6.981227 (622.33435, 2616.8901)(623.3367, 1438.1) 2 621.3257 621.3257@6.981227 + 649.2436@7.0010962 7.0010962 (650.2503, 1504.02)(651.2508, 1062.28) 2 649.2436 649.2436@7.0010962 + 331.2@7.0059257 7.0059257 (332.2073, 1346.76) 1 331.2 331.2@7.0059257 + 250.0948@7.0218415 7.0218415 (251.1021, 950.39) 1 250.0948 250.0948@7.0218415 + 571.3453@7.0443983 7.0443983 (572.3537, 2092.6238)(573.3581, 1791.69) 5 571.3453 571.3453@7.0443983 + 695.4035@7.0783935 7.0783935 (696.4098, 3454.73)(697.41595, 1607.0651)(718.3922, 808.56) 4 695.4035 695.4035@7.0783935 + 681.3862@7.109386 7.109386 (682.3938, 2577.055)(683.4055, 1017.44) 2 681.3862 681.3862@7.109386 + 745.4521@7.134862 7.134862 (746.4587, 3845.5674)(747.463, 1824.2101) 4 745.4521 745.4521@7.134862 + 557.2746@7.13822 7.13822 (558.2819, 2936.05)(559.284, 1089.22) 1 557.2746 557.2746@7.13822 + 619.3464@7.140209 7.140209 (620.3537, 1749.5) 1 619.3464 619.3464@7.140209 + 663.3008@7.1630855 7.1630855 (664.3077, 4522.67)(665.3098, 1273.47)(666.3177, 667.22)(686.291, 3662.07)(687.2938, 1421.59) 1 663.3008 663.3008@7.1630855 + 433.1835@7.1721525 7.1721525 (434.1903, 1951.575)(435.1962, 954.58) 2 433.1835 433.1835@7.1721525 + 719.5768@7.1780043 7.1780043 (720.5841, 982.58)(721.5895, 549.01) 1 719.5768 719.5768@7.1780043 + 509.2392@7.24609 7.24609 (510.24625, 2137.835)(511.25095, 983.01996) 2 509.2392 509.2392@7.24609 + 465.2499@7.3013268 7.3013268 (466.2555, 1449.79)(488.24, 1353.9) 1 465.2499 465.2499@7.3013268 + 495.2222@7.3261876 7.3261876 (496.2295, 1958.37)(497.2319, 680.36) 1 495.2222 495.2222@7.3261876 + 461.1175@7.3321548 7.3321548 (462.1248, 1186.58) 1 461.1175 461.1175@7.3321548 + 351.1806@7.3391156 7.3391156 (352.1879, 1952.01) 1 351.1806 351.1806@7.3391156 + 463.2325@7.4435263 7.4435263 (464.2397, 1347.58) 1 463.2325 463.2325@7.4435263 + 477.2121@7.459436 7.459436 (478.2194, 1680.43) 1 477.2121 477.2121@7.459436 + 403.1533@7.5041795 7.5041795 (404.1605, 2047.99) 1 403.1533 403.1533@7.5041795 + 459.2018@7.5051737 7.5051737 (460.2091, 1510.76) 1 459.2018 459.2018@7.5051737 + 493.2416@7.5081563 7.5081563 (494.2489, 1830.01) 1 493.2416 493.2416@7.5081563 + 705.3883@7.5154943 7.5154943 (706.39417, 1953.19)(707.39813, 852.66003) 2 705.3883 705.3883@7.5154943 + 423.2847@7.639392 7.639392 (424.292, 1325.88) 1 423.2847 423.2847@7.639392 + 469.2508@7.66157 7.66157 (470.25824, 3289.91)(471.26306, 947.67) 2 469.2508 469.2508@7.66157 + 553.1343@7.664245 7.664245 (554.1416, 779.07) 1 553.1343 553.1343@7.664245 + 627.2782@7.6841273 7.6841273 (628.2855, 3252.36)(629.2878, 1058.78) 1 627.2782 627.2782@7.6841273 + 473.1601@7.689098 7.689098 (474.1674, 1662.56) 1 473.1601 473.1601@7.689098 + 589.2641@7.6930747 7.6930747 (590.2713, 995.49) 1 589.2641 589.2641@7.6930747 + 553.3361@7.7328377 7.7328377 (554.3434, 4346.71)(555.348, 1362.51) 1 553.3361 553.3361@7.7328377 + 465.1762@7.836441 7.836441 (466.18256, 1676.0599)(467.1858, 845.61)(448.1731, 3517.51)(449.1777, 983.31) 2 465.1762 465.1762@7.836441 + 389.7527@7.794232 7.794232 (780.5122, 2201.88)(781.5168, 1221.51)(390.76007, 6199.205)(391.766, 812.56) 2 389.7527 389.7527@7.794232 + 439.1965@7.842177 7.842177 (440.2037, 10671.92)(441.2076, 2589.25) 1 439.1965 439.1965@7.842177 + 481.2075@7.860068 7.860068 (482.2148, 3285.62)(483.2186, 1159.97) 1 481.2075 481.2075@7.860068 + 505.2062@7.9813194 7.9813194 (506.2135, 2509.71) 1 505.2062 505.2062@7.9813194 + 447.1604@8.007158 8.007158 (448.1676, 1773.06) 1 447.1604 447.1604@8.007158 + 453.176@7.9497366 7.9497366 (454.18207, 1103.01)(436.173, 1889.28) 2 453.176 453.176@7.9497366 + 443.1925@8.038597 8.038597 (444.19943, 2470.6433)(445.204, 900.15) 3 443.1925 443.1925@8.038597 + 452.2293@8.062809 8.062809 (453.2365, 1404.36) 1 452.2293 452.2293@8.062809 + 339.2292@8.067257 8.067257 (679.4672, 2868.73)(680.4696, 1459.32)(340.23648, 4931.0063) 3 339.2292 339.2292@8.067257 + 469.2082@8.132367 8.132367 (470.2155, 1707.45) 1 469.2082 469.2082@8.132367 + 569.297@8.14131 8.14131 (570.3043, 1991.28)(571.3046, 1088.81) 1 569.297 569.297@8.14131 + 288.1686@8.274448 8.274448 (289.1759, 3605.24)(290.1768, 1177.09) 1 288.1686 288.1686@8.274448 + 471.2226@8.353926 8.353926 (472.2299, 1162.73) 1 471.2226 471.2226@8.353926 + 467.1916@8.667798 8.667798 (468.1989, 2041.84) 1 467.1916 467.1916@8.667798 + 305.1797@8.896185 8.896185 (306.1869, 4247.6)(307.1879, 792.94) 1 305.1797 305.1797@8.896185 + 733.9205@9.474739 9.474739 (734.9269, 893.44995)(735.9309, 421.045) 2 733.9205 733.9205@9.474739 + 636.8853@9.835947 9.835947 (637.8926, 887.45)(638.8793, 585.9)(639.8892, 614.9) 1 636.8853 636.8853@9.835947 + 636.883@9.941075 9.941075 (637.8903, 1096.94)(638.8892, 752.22) 1 636.883 636.883@9.941075 + 327.7809@0.7768887 0.7768887 (328.7882, 1519.44) 1 327.7809 327.7809@0.7768887 + 335.3026@0.8949194 0.8949194 (336.31046, 3879.69)(337.3136, 1327.285) 2 335.3026 335.3026@0.8949194 + 1174.7662@0.99483895 0.99483895 (1175.7723, 1217.16)(1192.8002, 8029.54)(1193.8055, 7710.23) 1 1174.7662 1174.7662@0.99483895 + 1175.7733@0.9942596 0.9942596 (1176.7806, 1711.4199)(1177.7842, 1225.5449)(1178.7867, 606.99) 2 1175.7733 1175.7733@0.9942596 + 1115.3104@1.0048364 1.0048364 (1116.3177, 1359.04)(1117.3107, 1250.66)(1118.3029, 911.19) 1 1115.3104 1115.3104@1.0048364 + 1134.2836@1.0068359 1.0068359 (1135.2908, 1288.76)(1136.2854, 732.35) 1 1134.2836 1134.2836@1.0068359 + 1205.3234@1.0901693 1.0901693 (1206.327, 3483.3176)(1207.3257, 1938.8689)(1208.3239, 1255.1843)(1209.3229, 602.86334) 9 1205.3234 1205.3234@1.0901693 + 888.2253@1.0092533 1.0092533 (889.2326, 1689.895)(890.2337, 1767.06)(891.2478, 1835.77) 2 888.2253 888.2253@1.0092533 + 963.2461@1.0088353 1.0088353 (964.2534, 1915.91)(965.274, 1889.59)(966.2755, 1715.22) 1 963.2461 963.2461@1.0088353 + 930.2577@1.0098351 1.0098351 (931.2649, 2861.83)(932.2554, 1304.47) 1 930.2577 930.2577@1.0098351 + 966.2536@1.0324712 1.0324712 (967.2683, 1675.165) 2 966.2536 966.2536@1.0324712 + 805.16@1.0133216 1.0133216 (806.1655, 1234.565)(807.1729, 820.32)(808.1572, 789.2)(823.19556, 1647.5549)(824.1943, 830.27) 2 805.16 805.16@1.0133216 + 839.2263@1.0440351 1.0440351 (840.23175, 2340.174)(841.23285, 1064.0801) 5 839.2263 839.2263@1.0440351 + 691.1869@1.0198326 1.0198326 (692.1941, 3304.2)(693.1876, 1095.75) 1 691.1869 691.1869@1.0198326 + 650.1379@1.0234364 1.0234364 (651.14484, 1650.097)(652.1459, 1144.208)(653.1396, 1099.804)(668.1766, 1577.62)(669.1745, 1505.67) 7 650.1379 650.1379@1.0234364 + 1373.3701@1.0248314 1.0248314 (1374.3774, 1785.33)(1375.3712, 1089.56) 1 1373.3701 1373.3701@1.0248314 + 540.2506@1.0248314 1.0248314 (541.2579, 2461.74)(542.2587, 705.88) 1 540.2506 540.2506@1.0248314 + 631.185@1.0336322 1.0336322 (632.1921, 6107.5396)(633.1902, 2435.3723)(634.1884, 1874.22) 4 631.185 631.185@1.0336322 + 981.2699@1.0338292 1.0338292 (982.2772, 99750.93) 1 981.2699 981.2699@1.0338292 + 240.0673@1.036962 1.036962 (241.07489, 2325.8625)(242.0765, 782.69) 4 240.0673 240.0673@1.036962 + 557.4979@1.0358286 1.0358286 (558.5052, 2443.78) 1 557.4979 557.4979@1.0358286 + 594.5226@1.0398276 1.0398276 (595.5326, 814.96)(617.5112, 2697.38)(618.5133, 1813.24) 1 594.5226 594.5226@1.0398276 + 1445.3885@1.0488253 1.0488253 (1446.3959, 3120.42)(1447.3965, 2033.58)(1448.3933, 1016.88)(1449.3932, 421.87) 1 1445.3885 1445.3885@1.0488253 + 1442.3912@1.0480322 1.0480322 (1443.3986, 2743.3875)(1444.3977, 3135.1848)(1445.3984, 2506.905) 4 1442.3912 1442.3912@1.0480322 + 685.3164@1.0571573 1.0571573 (686.3275, 3853.0728)(687.3314, 1499.9551)(688.334, 837.1333)(668.3144, 1904.86) 4 685.3164 685.3164@1.0571573 + 1166.6953@1.0558234 1.0558234 (1167.7026, 3142.16)(1168.7095, 2586.95) 1 1166.6953 1166.6953@1.0558234 + 614.4893@1.0638171 1.0638171 (615.4971, 3561.325)(616.5126, 2224.42) 2 614.4893 614.4893@1.0638171 + 464.4216@1.0598223 1.0598223 (465.4289, 1346.45)(482.4552, 1240.02) 1 464.4216 464.4216@1.0598223 + 544.4147@1.0702319 1.0702319 (545.4217, 6082.9077) 4 544.4147 544.4147@1.0702319 + 752.5582@1.0698199 1.0698199 (753.564, 1431.45)(770.5929, 2222.07)(771.5975, 1584.84)(772.6105, 3358.95)(773.6079, 1636.17) 1 752.5582 752.5582@1.0698199 + 686.4682@1.0686977 1.0686977 (687.4811, 1926.86)(704.501, 2446.62)(705.501, 1247.3)(706.5151, 2224.63) 2 686.4682 686.4682@1.0686977 + 760.4731@1.1174353 1.1174353 (761.4806, 1424.4199)(762.493, 1209.84)(778.5104, 1685.79)(779.5059, 1065.24)(780.526, 1369.97) 2 760.4731 760.4731@1.1174353 + 246.1237@1.0712247 1.0712247 (247.13087, 5464.0273)(248.13701, 1166.15) 4 246.1237 246.1237@1.0712247 + 786.586@1.0701029 1.0701029 (787.5952, 1608.155)(788.6026, 1111.45)(789.6057, 1019.98) 2 786.586 786.586@1.0701029 + 572.4038@1.0738188 1.0738188 (573.4111, 3858.57) 1 572.4038 572.4038@1.0738188 + 367.2685@1.0942147 1.0942147 (735.5418, 1610.7)(757.5262, 1543.75)(368.27835, 2036.905) 2 367.2685 367.2685@1.0942147 + 383.2651@1.0748186 1.0748186 (384.2724, 3663.03) 1 383.2651 383.2651@1.0748186 + 773.5262@1.0752888 1.0752888 (774.53613, 1301.565)(775.5486, 1065.8049)(776.5476, 1346.135)(796.5172, 1163.84) 2 773.5262 773.5262@1.0752888 + 358.2487@1.0767882 1.0767882 (359.2571, 3572.435) 2 358.2487 358.2487@1.0767882 + 76.031@1.1311576 1.1311576 (77.03845, 3486.81) 2 76.031 76.031@1.1311576 + 514.3277@1.0788175 1.0788175 (515.335, 4291.21) 1 514.3277 514.3277@1.0788175 + C35 H63 N2 O5 1.0843455 [ C35 H63 N2 O5, mfg=47.57, overall=47.57 ] (592.48114, 6650.7554) 6 591.4717 C35 H63 N2 O5 + 587.373@1.0838118 1.0838118 (588.3816, 9483.615)(589.3905, 4312.15)(590.3937, 9569.93)(591.3931, 3864.31)(592.4111, 2029.52) 2 587.373 587.373@1.0838118 + 625.3907@1.0818167 1.0818167 (626.3976, 2446.45)(643.4248, 3366.55) 1 625.3907 625.3907@1.0818167 + 450.2274@1.1427934 1.1427934 (451.23285, 2220.43)(452.249, 865.79) 2 450.2274 450.2274@1.1427934 + 362.3223@1.091814 1.091814 (363.3295, 3520.6) 1 362.3223 362.3223@1.091814 + 642.4888@1.1028112 1.1028112 (643.4961, 5507.31) 1 642.4888 642.4888@1.1028112 + 316.2589@1.1304309 1.1304309 (317.2671, 2756.5898)(339.249, 3932.26) 2 316.2589 316.2589@1.1304309 + 612.4955@1.1126988 1.1126988 (613.5067, 3627.7952)(614.4995, 2570.82)(635.4826, 3277.035)(636.48193, 1730.055)(637.4884, 1269.645) 4 612.4955 612.4955@1.1126988 + 701.4428@1.1208063 1.1208063 (702.45, 1988.54)(703.4506, 1787.3)(704.4594, 4780.54)(705.4678, 2832.1)(706.4764, 6308.13) 1 701.4428 701.4428@1.1208063 + 476.2485@1.121806 1.121806 (477.2558, 2541.02) 1 476.2485 476.2485@1.121806 + 303.2234@1.1736732 1.1736732 (607.4538, 2714.0)(624.4784, 2007.66)(304.228, 2546.455)(305.2285, 1285.08) 2 303.2234 303.2234@1.1736732 + 621.4968@1.1238054 1.1238054 (622.5041, 1349.3)(623.5082, 861.78) 1 621.4968 621.4968@1.1238054 + 633.5813@1.1187756 1.1187756 (634.5905, 1515.7351)(635.595, 655.67)(636.5925, 998.22) 2 633.5813 633.5813@1.1187756 + 242.1969@1.125805 1.125805 (243.2042, 2103.86) 1 242.1969 242.1969@1.125805 + 621.388@1.1268047 1.1268047 (622.3953, 1594.81)(623.3852, 1174.12)(624.4061, 1645.71) 1 621.388 621.388@1.1268047 + 634.4738@1.1268047 1.1268047 (635.4811, 3119.9)(636.4716, 1926.36) 1 634.4738 634.4738@1.1268047 + 601.4149@1.1713203 1.1713203 (602.4241, 1909.325)(603.4219, 1356.13)(604.4097, 3183.88) 2 601.4149 601.4149@1.1713203 + 453.199@1.1866874 1.1866874 (454.20383, 2115.1633)(436.1934, 1307.34) 3 453.199 453.199@1.1866874 + 761.4604@1.1257999 1.1257999 (762.4678, 2806.25)(763.46814, 1367.6)(764.4834, 1400.99)(744.4568, 884.36)(779.4961, 732.45) 2 761.4604 761.4604@1.1257999 + 309.1436@1.1272771 1.1272771 (310.1512, 4248.7446)(311.15152, 1129.9199) 4 309.1436 309.1436@1.1272771 + 370.2722@1.1578406 1.1578406 (371.2804, 12415.727)(372.2789, 5503.1553)(393.2606, 15159.63) 3 370.2722 370.2722@1.1578406 + 198.1635@1.1308036 1.1308036 (199.1686, 3025.67)(221.1535, 8532.67)(222.1538, 1525.06) 1 198.1635 198.1635@1.1308036 + 471.3171@1.1328031 1.1328031 (472.3244, 3223.83) 1 471.3171 471.3171@1.1328031 + 618.4148@1.134321 1.134321 (619.4234, 1912.7233)(620.42554, 1500.96)(621.4383, 1403.67) 3 618.4148 618.4148@1.134321 + 449.2287@1.1391655 1.1391655 (450.23618, 5876.697)(451.2332, 2583.3066)(472.21887, 1195.425)(473.2109, 698.4) 3 449.2287 449.2287@1.1391655 + 810.4944@1.1457995 1.1457995 (811.5016, 1107.68)(812.5179, 764.73)(813.5253, 627.81) 1 810.4944 810.4944@1.1457995 + 762.3945@1.1597956 1.1597956 (763.4018, 838.65) 1 762.3945 762.3945@1.1597956 + 426.2462@1.1607955 1.1607955 (427.2535, 4273.56) 1 426.2462 426.2462@1.1607955 + 266.1159@1.161795 1.161795 (267.123, 2092.87)(249.1126, 6790.7)(250.1164, 1457.65) 1 266.1159 266.1159@1.161795 + 453.2068@1.1697929 1.1697929 (454.2143, 2403.53)(471.2389, 863.24) 1 453.2068 453.2068@1.1697929 + 619.3594@1.1847887 1.1847887 (620.3666, 2548.51) 1 619.3594 619.3594@1.1847887 + 342.3301@1.1857884 1.1857884 (343.3373, 1415.2) 1 342.3301 342.3301@1.1857884 + 250.159@1.1320736 1.1320736 (501.32025, 1429.04)(251.16422, 3823.8364)(252.16174, 1545.3224)(273.1464, 1571.29) 8 250.159 250.159@1.1320736 + 419.2543@1.2283375 1.2283375 (420.26196, 5386.855)(421.2629, 3028.3599)(402.2495, 7856.01)(442.244, 13237.16) 2 419.2543 419.2543@1.2283375 + 428.2816@1.2097816 1.2097816 (429.2879, 2783.79)(451.2717, 2083.45) 1 428.2816 428.2816@1.2097816 + 478.1824@1.201759 1.201759 (479.19, 2164.24)(480.1936, 1029.99)(461.1786, 835.82) 2 478.1824 478.1824@1.201759 + 671.52@1.2247775 1.2247775 (672.5273, 3985.93)(673.5409, 1362.2) 1 671.52 671.52@1.2247775 + 190.0995@1.2312396 1.2312396 (191.10715, 6993.92) 2 190.0995 190.0995@1.2312396 + 282.1496@1.235956 1.235956 (283.1568, 11369.795)(284.16113, 2899.245) 2 282.1496 282.1496@1.235956 + 417.2361@1.2095779 1.2095779 (418.2439, 10373.896)(419.2457, 3415.58) 5 417.2361 417.2361@1.2095779 + 399.2273@1.2319068 1.2319068 (400.2357, 5145.36)(401.2469, 2353.37)(417.2612, 2047.415)(422.21655, 2531.47) 3 399.2273 399.2273@1.2319068 + 645.4474@1.1870513 1.1870513 (646.44916, 7213.365)(647.45703, 4852.365)(648.4563, 5959.14) 2 645.4474 645.4474@1.1870513 + 549.3544@1.2531787 1.2531787 (550.3599, 2423.67)(551.3528, 1570.29) 2 549.3544 549.3544@1.2531787 + 437.212@1.2539814 1.2539814 (438.2201, 2718.8901) 2 437.212 437.212@1.2539814 + 603.4387@1.2557684 1.2557684 (604.4446, 2769.41)(605.4423, 1155.42)(621.4774, 1533.49) 1 603.4387 603.4387@1.2557684 + 484.3876@1.2591662 1.2591662 (485.3999, 1159.485)(486.4069, 947.56) 2 484.3876 484.3876@1.2591662 + 56.0258@1.2567681 1.2567681 (57.0331, 1300.24) 1 56.0258 56.0258@1.2567681 + 152.084@1.1772662 1.1772662 (305.1746, 3735.2)(327.1593, 3170.52)(153.09131, 5516.9434)(154.0882, 1642.16)(135.0807, 19829.37)(136.0829, 3033.52) 3 152.084 152.084@1.1772662 + 710.6206@1.2587416 1.2587416 (711.6293, 1328.0701)(712.636, 1088.2)(693.6126, 1396.98)(694.6127, 967.65)(733.6076, 2568.07)(734.6197, 1551.37)(735.6243, 9907.9)(736.6285, 5523.25)(737.6401, 19156.57) 2 710.6206 710.6206@1.2587416 + 311.1994@1.261176 1.261176 (312.2087, 6238.9966)(313.1996, 3983.81)(314.1983, 3227.57)(329.2305, 2162.85) 3 311.1994 311.1994@1.261176 + 368.3107@1.2530919 1.2530919 (759.6098, 2283.27)(369.31543, 5149.2065)(391.2935, 4515.15) 8 368.3107 368.3107@1.2530919 + 294.1819@1.2608074 1.2608074 (606.4048, 976.5)(295.19028, 10740.443)(317.1739, 2698.8) 3 294.1819 294.1819@1.2608074 + 179.1311@1.260767 1.260767 (359.2693, 5740.16)(180.1388, 2074.29) 1 179.1311 179.1311@1.260767 + 123.1047@1.264157 1.264157 (124.11226, 3295.1763) 5 123.1047 123.1047@1.264157 + 624.5079@1.2641883 1.2641883 (625.5131, 1529.7651)(647.4907, 1391.8) 4 624.5079 624.5079@1.2641883 + 557.48@1.2637662 1.2637662 (558.4872, 1601.89) 1 557.48 557.48@1.2637662 + 456.3566@1.2647657 1.2647657 (457.3639, 1335.53) 1 456.3566 456.3566@1.2647657 + 440.2145@1.2647657 1.2647657 (441.2217, 2686.99) 1 440.2145 440.2145@1.2647657 + 351.2752@1.2791083 1.2791083 (703.5646, 581.61)(352.28162, 4106.933)(374.2596, 976.94) 3 351.2752 351.2752@1.2791083 + 326.171@1.2857596 1.2857596 (327.177, 2674.38)(309.168, 10899.74)(310.1783, 3559.73) 1 326.171 326.171@1.2857596 + 543.4144@1.3855858 1.3855858 (544.42065, 1343.88)(545.4184, 913.16) 2 543.4144 543.4144@1.3855858 + 133.054@1.3167504 1.3167504 (134.0613, 2314.8) 1 133.054 133.054@1.3167504 + 195.1471@1.3337609 1.3337609 (196.15431, 7415.508)(197.15483, 1905.9268) 4 195.1471 195.1471@1.3337609 + 222.1115@1.3509125 1.3509125 (223.11795, 5218.5303)(224.1282, 2684.81)(225.111, 3992.67)(240.1461, 6874.28)(241.1443, 1810.97)(242.14, 989.07) 2 222.1115 222.1115@1.3509125 + 102.0685@1.4611994 1.4611994 (227.128, 2408.51)(103.07531, 3899.2517)(104.0731, 1140.4451)(105.0691, 694.66) 6 102.0685 102.0685@1.4611994 + 204.1493@1.455707 1.455707 (409.3053, 2742.34)(205.1578, 788.74) 1 204.1493 204.1493@1.455707 + 185.1053@1.4079309 1.4079309 (186.11395, 7995.3203)(187.1136, 1934.0)(208.099, 1502.73) 2 185.1053 185.1053@1.4079309 + 123.1042@1.5356808 1.5356808 (124.1115, 4928.3) 1 123.1042 123.1042@1.5356808 + 735.5099@1.5858436 1.5858436 (736.5181, 2428.5967)(737.5215, 1206.3033)(738.53467, 4201.3066)(739.53735, 2365.88)(740.54095, 785.4) 3 735.5099 735.5099@1.5858436 + 223.1503@1.5786663 1.5786663 (224.1575, 3643.96)(225.1582, 786.62) 1 223.1503 223.1503@1.5786663 + 979.6137@1.5853039 1.5853039 (980.61993, 2130.9631)(981.62354, 1466.9867)(1002.60516, 1542.2035)(1003.60876, 1056.08) 3 979.6137 979.6137@1.5853039 + 625.1066@1.5851133 1.5851133 (626.11487, 1564.76) 2 625.1066 625.1066@1.5851133 + 1023.5823@1.5619179 1.5619179 (1024.5911, 1861.4558)(1025.5946, 1088.4819)(1026.5941, 853.015) 5 1023.5823 1023.5823@1.5619179 + 410.3142@1.6274574 1.6274574 (411.3219, 2019.04)(412.3242, 1024.3134) 4 410.3142 410.3142@1.6274574 + 434.2805@1.6464651 1.6464651 (435.28522, 1852.9951)(436.2889, 1362.14)(437.2982, 1569.57) 2 434.2805 434.2805@1.6464651 + 291.118@1.7155422 1.7155422 (292.12668, 1470.2881)(309.1515, 6967.6836)(314.10672, 5032.959) 10 291.118 291.118@1.7155422 + 298.066@1.7426089 1.7426089 (299.0732, 1361.07) 1 298.066 298.066@1.7426089 + 160.0268@1.7556041 1.7556041 (161.0341, 2651.39) 1 160.0268 160.0268@1.7556041 + 228.1839@1.7556701 1.7556701 (229.193, 6129.5547)(230.19626, 1258.55) 2 228.1839 228.1839@1.7556701 + 267.1327@1.8315762 1.8315762 (268.1399, 3849.32)(269.1384, 684.31)(270.1369, 724.19) 1 267.1327 267.1327@1.8315762 + 266.197@1.858566 1.858566 (267.2043, 6570.86)(268.2108, 1695.38) 1 266.197 266.197@1.858566 + 259.1418@1.8625646 1.8625646 (260.1491, 4228.31)(261.1498, 1279.73) 1 259.1418 259.1418@1.8625646 + 941.5377@1.8645638 1.8645638 (942.545, 1003.13)(943.5495, 791.84) 1 941.5377 941.5377@1.8645638 + 461.2598@1.8593508 1.8593508 (462.2675, 2802.1978)(463.27155, 1117.108)(464.2803, 638.29) 5 461.2598 461.2598@1.8593508 + 409.0136@1.8750708 1.8750708 (410.0223, 1516.7) 5 409.0136 409.0136@1.8750708 + 304.0399@1.8955522 1.8955522 (305.0472, 1357.48) 1 304.0399 304.0399@1.8955522 + 602.3797@1.8964834 1.8964834 (603.3864, 1669.89)(604.39514, 946.86) 2 602.3797 602.3797@1.8964834 + 121.0732@1.9025494 1.9025494 (122.0787, 5069.8)(104.0705, 12718.61)(105.0721, 1394.16) 1 121.0732 121.0732@1.9025494 + 202.0079@1.916726 1.916726 (203.01506, 3651.4958) 7 202.0079 202.0079@1.916726 + 274.1601@1.9663031 1.9663031 (275.1673, 6056.215)(276.1702, 1271.92)(297.1487, 1984.03) 2 274.1601 274.1601@1.9663031 + 333.033@2.1482666 2.1482666 (334.0412, 1033.21) 2 333.033 333.033@2.1482666 + 439.0999@2.1554494 2.1554494 (440.1095, 911.16)(457.1336, 15571.38) 1 439.0999 439.0999@2.1554494 + 420.1768@2.158448 2.158448 (421.1841, 1624.03) 1 420.1768 420.1768@2.158448 + 395.1624@2.159448 2.159448 (396.1697, 1791.4) 1 395.1624 395.1624@2.159448 + 613.2196@2.1614468 2.1614468 (614.2278, 1172.06)(596.2159, 2065.2) 1 613.2196 613.2196@2.1614468 + 594.2105@2.1624467 2.1624467 (595.2178, 2017.1) 1 594.2105 594.2105@2.1624467 + 414.1704@2.1624467 2.1624467 (415.1804, 1070.45)(397.1669, 12896.38) 1 414.1704 414.1704@2.1624467 + 545.1387@2.1644456 2.1644456 (546.146, 1614.7) 1 545.1387 545.1387@2.1644456 + 439.1711@2.166445 2.166445 (440.1756, 1121.71)(422.1687, 2204.55) 1 439.1711 439.1711@2.166445 + 70.0299@2.209427 2.209427 (71.0371, 2344.52) 1 70.0299 70.0299@2.209427 + 654.3093@2.2668724 2.2668724 (655.3165, 2765.085)(656.31934, 1178.71) 2 654.3093 654.3093@2.2668724 + 602.4429@2.245412 2.245412 (603.4502, 1232.61)(604.4491, 867.51) 1 602.4429 602.4429@2.245412 + 421.1604@2.223342 2.223342 (422.16772, 1156.31) 2 421.1604 421.1604@2.223342 + 403.1493@2.2875276 2.2875276 (404.1565, 1218.5775) 4 403.1493 403.1493@2.2875276 + 731.5386@2.4643183 2.4643183 (732.5459, 2925.26)(733.5516, 1406.56) 1 731.5386 731.5386@2.4643183 + 321.1042@2.6532342 2.6532342 (322.1115, 1557.65) 1 321.1042 321.1042@2.6532342 + 223.0866@2.732705 2.732705 (224.09402, 8179.1973)(225.09904, 1094.0026)(206.0838, 1569.31) 4 223.0866 223.0866@2.732705 + 125.014@2.8421476 2.8421476 (126.0213, 2843.51) 1 125.014 125.014@2.8421476 + 560.3152@2.8461456 2.8461456 (561.3225, 1944.07)(562.3227, 1158.82) 1 560.3152 560.3152@2.8461456 + 242.1012@2.8651369 2.8651369 (243.1085, 4563.61)(244.1105, 1460.13) 1 242.1012 242.1012@2.8651369 + 384.1125@2.9900782 2.9900782 (385.1198, 2106.79) 1 384.1125 384.1125@2.9900782 + 319.0754@2.995076 2.995076 (320.0827, 1207.06) 1 319.0754 319.0754@2.995076 + 257.0706@3.1619961 3.1619961 (258.0779, 1720.41) 1 257.0706 257.0706@3.1619961 + 516.3235@3.3449075 3.3449075 (517.3308, 2158.86)(518.3394, 996.56) 1 516.3235 516.3235@3.3449075 + 461.2611@3.4028792 3.4028792 (462.2684, 2523.47)(463.2701, 817.4) 1 461.2611 461.2611@3.4028792 + 733.5188@3.439861 3.439861 (734.5261, 1791.6) 1 733.5188 733.5188@3.439861 + 640.2246@3.630102 3.630102 (641.2317, 1413.3834)(642.2338, 755.3933)(643.2385, 516.55)(663.21387, 2439.83)(664.2168, 1083.385) 3 640.2246 640.2246@3.630102 + 1300.221@3.8986354 3.8986354 (1301.2281, 4642.74)(1302.2286, 1839.62)(1323.2102, 1784.35)(1324.2057, 958.99)(1325.1919, 827.14) 1 1300.221 1300.221@3.8986354 + 256.9953@3.9526086 3.9526086 (258.0026, 1699.48) 1 256.9953 256.9953@3.9526086 + 513.2772@3.953608 3.953608 (514.286, 1573.73)(531.3099, 1294.8)(536.265, 996.88) 1 513.2772 513.2772@3.953608 + 678.201@3.994588 3.994588 (679.2082, 3027.52)(680.2092, 1409.21)(701.1906, 1030.21) 1 678.201 678.201@3.994588 + 187.0954@4.0035834 4.0035834 (188.1036, 1202.66)(170.092, 6456.78) 1 187.0954 187.0954@4.0035834 + 462.8367@3.9770854 3.9770854 (463.8442, 1328.3334) 3 462.8367 462.8367@3.9770854 + 373.3554@4.091052 4.091052 (374.36084, 487.745)(356.35193, 8358.79)(357.355, 2651.75) 2 373.3554 373.3554@4.091052 + 559.2544@4.1098948 4.1098948 (560.2621, 3898.7224)(561.2659, 1516.4233) 4 559.2544 559.2544@4.1098948 + 384.0131@4.2174783 4.2174783 (385.0208, 989.28)(407.0022, 1908.47)(408.0026, 714.85)(409.0086, 921.89) 1 384.0131 384.0131@4.2174783 + 644.2322@4.327235 4.327235 (645.2399, 1501.778)(646.24133, 808.11) 5 644.2322 644.2322@4.327235 + 805.9125@4.3253193 4.3253193 (806.91895, 1623.5767)(807.9191, 1150.265)(828.9027, 1091.2849)(829.9049, 897.19) 3 805.9125 805.9125@4.3253193 + 806.4123@4.31643 4.31643 (807.4186, 1073.72)(808.4185, 695.46)(829.4032, 933.61) 1 806.4123 806.4123@4.31643 + 1013.7274@4.3234267 4.3234267 (1014.7347, 993.89) 1 1013.7274 1013.7274@4.3234267 + 650.3356@4.3514137 4.3514137 (651.3429, 1210.0) 1 650.3356 650.3356@4.3514137 + 564.8471@4.435373 4.435373 (565.8544, 3868.21)(566.8595, 1062.23) 1 564.8471 564.8471@4.435373 + 594.4406@4.542322 4.542322 (595.4479, 1211.49) 1 594.4406 594.4406@4.542322 + 199.2299@4.5703087 4.5703087 (200.2372, 4971.83)(201.2407, 1493.27) 1 199.2299 199.2299@4.5703087 + 644.2326@4.576306 4.576306 (645.2399, 1597.07)(646.2453, 762.33) 1 644.2326 644.2326@4.576306 + 617.215@4.5857034 4.5857034 (618.22253, 2363.06)(619.2253, 1304.57)(620.2122, 1233.09) 2 617.215 617.215@4.5857034 + 1085.5367@4.5942974 4.5942974 (1086.544, 1610.63)(1087.5425, 1393.77) 1 1085.5367 1085.5367@4.5942974 + 395.3511@4.613288 4.613288 (396.3583, 1829.95) 1 395.3511 395.3511@4.613288 + 845.541@4.6181498 4.6181498 (846.5484, 2522.33)(847.552, 1511.2351) 2 845.541 845.541@4.6181498 + 643.9533@4.7162395 4.7162395 (644.9606, 1235.27)(645.9656, 460.72) 1 643.9533 643.9533@4.7162395 + 781.5256@4.7301373 4.7301373 (782.53265, 1104.3467)(783.536, 632.92004) 3 781.5256 781.5256@4.7301373 + 617.2149@4.7442265 4.7442265 (618.2222, 1549.95) 1 617.2149 617.2149@4.7442265 + 775.5404@4.8292685 4.8292685 (776.54785, 1768.7)(777.5501, 1162.83)(798.5298, 1421.5) 2 775.5404 775.5404@4.8292685 + 335.2285@4.969124 4.969124 (688.4868, 750.13)(336.2366, 1254.48) 1 335.2285 335.2285@4.969124 + 510.389@4.9806614 4.9806614 (511.396, 1853.9299)(512.4053, 803.4666)(513.3881, 1184.05) 4 510.389 510.389@4.9806614 + 899.5821@5.3374825 5.3374825 (900.5897, 3290.29)(901.59485, 1668.46) 2 899.5821 899.5821@5.3374825 + 983.6443@5.3809447 5.3809447 (984.6516, 902.37)(985.644, 777.15)(986.6607, 1099.38) 1 983.6443 983.6443@5.3809447 + 998.5022@5.387908 5.387908 (999.51587, 856.24)(1000.5331, 241.10501) 2 998.5022 998.5022@5.387908 + 935.5662@5.424705 5.424705 (936.58057, 6449.5767)(937.57635, 3983.1267)(938.5604, 6841.675)(939.5624, 3891.98)(940.562, 4138.43) 3 935.5662 935.5662@5.424705 + 1197.778@5.406934 5.406934 (1198.7853, 608.96)(1199.7731, 545.23)(1200.781, 674.36) 1 1197.778 1197.778@5.406934 + 973.5174@5.4154096 5.4154096 (974.5266, 1200.74)(975.52924, 861.1867)(976.5374, 812.73)(956.5167, 993.79) 3 973.5174 973.5174@5.4154096 + 941.6263@5.4109325 5.4109325 (942.6323, 1600.19)(943.6443, 852.77)(944.6515, 1429.62)(945.6604, 0.0)(964.6158, 4907.47)(965.6214, 3021.95)(966.6333, 2207.6) 1 941.6263 941.6263@5.4109325 + 833.0497@5.4136777 5.4136777 (834.0563, 1774.8676)(835.0646, 1677.29)(816.0465, 3036.0151) 4 833.0497 833.0497@5.4136777 + 1159.7833@5.434146 5.434146 (1160.7905, 1233.99)(1161.7944, 1068.28)(1162.8082, 3419.03)(1163.812, 2250.105)(1164.8146, 1163.895)(1182.7732, 777.395)(1183.7733, 859.31)(1184.7915, 1104.89)(1185.7935, 262.22) 2 1159.7833 1159.7833@5.434146 + 647.4103@5.428925 5.428925 (1295.8256, 756.27)(1296.8268, 801.07)(1297.8286, 824.94)(648.4197, 823.26) 1 647.4103 647.4103@5.428925 + 1285.8253@5.4299245 5.4299245 (1286.8326, 997.84)(1287.8336, 1165.09)(1288.8309, 1100.5) 1 1285.8253 1285.8253@5.4299245 + 392.2912@5.4222903 5.4222903 (393.30093, 7779.25)(394.30466, 805.8567)(395.29132, 972.895) 3 392.2912 392.2912@5.4222903 + 1658.124@5.4379215 5.4379215 (1659.1313, 1437.58)(1660.1251, 1317.45)(1661.1165, 1185.95) 1 1658.124 1658.124@5.4379215 + 1697.1241@5.4399204 5.4399204 (1698.1267, 670.38)(1680.1221, 1059.32)(1681.123, 790.35)(1682.1124, 774.08)(1683.1129, 656.69)(1684.1086, 719.05) 1 1697.1241 1697.1241@5.4399204 + 1269.3247@5.442606 5.442606 (1270.3301, 1169.78)(1271.3289, 1211.765)(1272.3308, 1134.875)(1273.3342, 820.06)(1274.336, 1364.37) 2 1269.3247 1269.3247@5.442606 + 1283.3418@5.541774 5.541774 (1284.344, 1303.73)(1285.3455, 1484.442)(1286.3475, 975.79803) 5 1283.3418 1283.3418@5.541774 + 1279.8204@5.4383316 5.4383316 (1280.8252, 1151.2351)(1281.8301, 1144.6)(1282.822, 1037.91)(1283.8271, 861.0) 2 1279.8204 1279.8204@5.4383316 + 1629.114@5.4486656 5.4486656 (1630.1235, 2564.4866)(1631.1254, 2144.3733)(1632.1276, 1847.4132)(1633.1305, 1519.745) 3 1629.114 1629.114@5.4486656 + 1288.8171@5.4449186 5.4449186 (1289.8243, 1091.45)(1290.8278, 890.26)(1291.8243, 1027.51) 1 1288.8171 1288.8171@5.4449186 + 1605.1202@5.447917 5.447917 (1606.1274, 2004.23)(1607.1259, 1534.52)(1608.1361, 3893.78)(1609.1384, 3985.94)(1610.1338, 2765.82)(1611.1193, 1711.48) 1 1605.1202 1605.1202@5.447917 + 848.6076@5.4350677 5.4350677 (849.6138, 71866.72)(850.6108, 6342.89)(851.6104, 3215.62) 3 848.6076 848.6076@5.4350677 + 845.6088@5.449847 5.449847 (846.6078, 14745.005)(847.61053, 7131.325)(848.60913, 93037.11)(849.6125, 4416.84)(850.6251, 6090.84) 2 845.6088 845.6088@5.449847 + 1599.1239@5.4616957 5.4616957 (1600.1335, 2945.6865)(1601.1425, 3017.0417)(1602.1301, 2672.75)(1603.1414, 2116.92)(1617.1588, 5023.88)(1618.1671, 4139.48)(1619.1705, 2793.59) 8 1599.1239 1599.1239@5.4616957 + 820.5365@5.4499164 5.4499164 (821.5438, 22395.66) 1 820.5365 820.5365@5.4499164 + 377.8471@5.4499164 5.4499164 (378.8544, 1470.03) 1 377.8471 377.8471@5.4499164 + 775.544@5.4606814 5.4606814 (776.55365, 14544.397)(777.5532, 9696.8955)(778.5375, 29829.84)(779.5401, 14435.42) 7 775.544 775.544@5.4606814 + 1602.107@5.4632654 5.4632654 (1603.1176, 2198.5)(1604.1216, 1987.46)(1605.123, 1660.1334) 4 1602.107 1602.107@5.4632654 + 1614.1343@5.455161 5.455161 (1615.141, 3730.3481)(1616.1508, 4357.7466)(1617.1549, 3311.2266) 5 1614.1343 1614.1343@5.455161 + 1547.1091@5.479904 5.479904 (1548.1155, 1636.79)(1549.1245, 1473.1)(1550.1218, 1058.01)(1570.0996, 1424.95) 1 1547.1091 1547.1091@5.479904 + 839.6145@5.4948983 5.4948983 (840.6218, 75409.11)(841.6249, 38655.57)(842.6361, 79669.88)(843.6402, 39313.16) 1 839.6145 839.6145@5.4948983 + 1274.8254@5.460688 5.460688 (1275.8303, 1166.895)(1276.8318, 1018.77997)(1277.8242, 1042.88) 2 1274.8254 1274.8254@5.460688 + 838.0526@5.4988966 5.4988966 (839.0599, 793.36)(840.0603, 684.24) 1 838.0526 838.0526@5.4988966 + 1582.1298@5.5192657 5.5192657 (1583.1338, 1076.83)(1584.1365, 1033.73)(1585.1356, 955.7) 2 1582.1298 1582.1298@5.5192657 + 819.0686@5.5083237 5.5083237 (820.0752, 3342.13)(821.0806, 1507.1499)(822.0819, 994.955) 3 819.0686 819.0686@5.5083237 + 1178.3231@5.519882 5.519882 (1179.3326, 1577.7965)(1180.3369, 1662.8168)(1181.3402, 1815.25)(1182.3406, 1387.27) 3 1178.3231 1178.3231@5.519882 + 1623.1143@5.524886 5.524886 (1624.1216, 892.64)(1625.1205, 1085.99) 1 1623.1143 1623.1143@5.524886 + 1558.1267@5.526885 5.526885 (1559.134, 1518.67)(1560.1438, 1695.88)(1561.1512, 1276.94) 1 1558.1267 1558.1267@5.526885 + 1260.324@5.4596615 5.4596615 (1261.3271, 1062.01)(1262.3386, 813.38995)(1263.3298, 966.22) 4 1260.324 1260.324@5.4596615 + 1258.3387@5.5055614 5.5055614 (1259.3453, 1854.0742)(1260.3479, 1710.6934)(1261.3457, 1507.5856)(1262.3553, 899.36993)(1263.3304, 1017.82)(1281.3322, 770.97)(1282.3247, 789.55) 12 1258.3387 1258.3387@5.5055614 + 776.5619@5.560377 5.560377 (777.5703, 8935.487)(778.5796, 3259.2966)(779.5849, 1693.04) 3 776.5619 776.5619@5.560377 + 1517.131@5.5615273 5.5615273 (1518.1377, 11940.5)(1519.1436, 6318.5503)(1520.1484, 2875.4434)(1521.153, 928.32666) 3 1517.131 1517.131@5.5615273 + 705.4582@5.558872 5.558872 (706.4655, 2128.23)(707.4651, 1212.23) 1 705.4582 705.4582@5.558872 + 1040.5638@5.575718 5.575718 (1041.5715, 1394.1389)(1042.5752, 1245.5289)(1043.5808, 1030.382)(1063.5499, 933.005)(1064.5493, 847.82)(1065.5657, 924.97) 9 1040.5638 1040.5638@5.575718 + 900.6659@5.5688686 5.5688686 (901.6731, 729.8)(902.6673, 868.85)(903.666, 594.69) 1 900.6659 900.6659@5.5688686 + 691.4419@5.598834 5.598834 (692.4491, 1660.795)(693.452, 803.94)(674.4346, 1282.93) 2 691.4419 691.4419@5.598834 + 511.46@5.6073074 5.6073074 (512.4669, 1559.875) 2 511.46 511.46@5.6073074 + 917.058@5.608053 5.608053 (918.06335, 1113.0)(919.0707, 799.69) 2 917.058 917.058@5.608053 + 1074.5428@5.6078534 5.6078534 (1075.55, 1197.4)(1076.5483, 870.88)(1077.5663, 1015.53) 1 1074.5428 1074.5428@5.6078534 + 1171.8375@5.610145 5.610145 (1172.8436, 1278.3301)(1189.8707, 1089.0) 3 1171.8375 1171.8375@5.610145 + 1227.8287@5.5777183 5.5777183 (1228.842, 1064.54)(1229.842, 809.13) 2 1227.8287 1227.8287@5.5777183 + 1251.3531@5.6358423 5.6358423 (1252.3604, 526.11)(1253.3519, 552.0)(1254.3542, 658.72) 1 1251.3531 1251.3531@5.6358423 + 1174.3516@5.5853906 5.5853906 (1175.3507, 2812.34)(1176.3499, 1231.735)(1177.3734, 860.04) 2 1174.3516 1174.3516@5.5853906 + 1160.8381@5.632872 5.632872 (1161.8456, 2587.0774)(1162.8527, 1000.39746)(1163.8644, 728.64) 4 1160.8381 1160.8381@5.632872 + 838.6267@5.648837 5.648837 (839.634, 4318.8)(840.6338, 3614.63) 1 838.6267 838.6267@5.648837 + 1221.8435@5.659833 5.659833 (1222.8558, 2012.55)(1239.8741, 1690.04)(1240.8796, 1200.34)(1241.8896, 1231.26) 1 1221.8435 1221.8435@5.659833 + 900.668@5.6668305 5.6668305 (901.6753, 768.19)(902.6717, 824.29) 1 900.668 900.668@5.6668305 + 803.0618@5.670829 5.670829 (804.069, 1228.39)(805.0709, 687.09) 1 803.0618 803.0618@5.670829 + 820.0748@5.6383076 5.6383076 (1641.144, 756.52)(821.0833, 2021.9099)(822.0909, 556.68)(823.078, 740.13) 4 820.0748 820.0748@5.6383076 + 691.442@5.686823 5.686823 (692.4493, 1357.21)(693.4494, 766.03) 1 691.442 691.442@5.686823 + 771.4737@5.689009 5.689009 (772.47784, 3962.625)(773.4764, 1730.635) 2 771.4737 771.4737@5.689009 + 994.5395@5.698818 5.698818 (995.5456, 1157.22)(996.5619, 757.13)(977.5374, 951.6)(978.5524, 980.55)(979.5512, 938.68) 1 994.5395 994.5395@5.698818 + 923.5677@5.7758484 5.7758484 (924.57007, 2524.475)(925.57104, 1569.56) 2 923.5677 923.5677@5.7758484 + 328.2729@5.714812 5.714812 (329.2802, 3028.35) 1 328.2729 328.2729@5.714812 + 949.6214@5.742801 5.742801 (950.6287, 988.85)(951.6065, 733.23)(952.6362, 749.31) 1 949.6214 949.6214@5.742801 + 745.5861@5.759037 5.759037 (746.59326, 4398.725)(747.59357, 1750.08) 4 745.5861 745.5861@5.759037 + 649.9392@5.8127756 5.8127756 (650.9464, 1246.51) 1 649.9392 649.9392@5.8127756 + 1025.538@5.8271265 5.8271265 (1026.5499, 861.71)(1027.555, 707.275)(1048.5233, 928.63) 2 1025.538 1025.538@5.8271265 + 562.8025@5.8197727 5.8197727 (563.8098, 1156.68) 1 562.8025 562.8025@5.8197727 + 825.0437@5.8383827 5.8383827 (826.0532, 1096.385)(827.053, 682.86)(828.0639, 888.4)(843.0772, 5490.44)(844.0772, 4705.23)(845.0753, 1843.96) 2 825.0437 825.0437@5.8383827 + 613.3325@5.8331003 5.8331003 (614.3402, 2550.196)(615.3439, 912.8159) 5 613.3325 613.3325@5.8331003 + 1019.5049@5.829769 5.829769 (1020.5121, 1281.69)(1021.5144, 752.97) 1 1019.5049 1019.5049@5.829769 + 1083.2977@5.8258286 5.8258286 (1084.3029, 1168.1766) 3 1083.2977 1083.2977@5.8258286 + 799.4265@5.833911 5.833911 (800.4314, 1367.21)(801.4341, 745.445)(802.442, 1205.5349) 2 799.4265 799.4265@5.833911 + 520.7413@5.8317685 5.8317685 (521.7486, 1075.69) 1 520.7413 520.7413@5.8317685 + 1031.5258@5.832589 5.832589 (1032.5319, 1127.9926)(1033.5409, 884.33)(1034.5416, 838.45)(1054.5161, 1520.98)(1055.5223, 916.89) 4 1031.5258 1031.5258@5.832589 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5.846763 (663.4531, 3781.53)(664.4574, 2118.32) 1 662.4458 662.4458@5.846763 + 859.5367@5.8517613 5.8517613 (860.5464, 4135.74)(861.5658, 1648.89)(882.5238, 3868.41) 1 859.5367 859.5367@5.8517613 + 711.4582@5.858759 5.858759 (712.4654, 1274.65)(713.4661, 1170.26) 1 711.4582 711.4582@5.858759 + 723.4493@5.8940487 5.8940487 (724.4615, 1536.7399)(725.46387, 1029.1234)(726.4658, 3500.5732)(727.4677, 1839.29)(728.47095, 2379.97) 3 723.4493 723.4493@5.8940487 + 865.4927@5.9298153 5.9298153 (866.4987, 19301.12)(867.5018, 10207.537)(868.5204, 7883.9297) 3 865.4927 865.4927@5.9298153 + 1006.4853@5.941729 5.941729 (1007.4925, 623.5)(1008.4875, 896.1)(1009.4783, 669.36) 1 1006.4853 1006.4853@5.941729 + 682.4601@5.877148 5.877148 (683.46045, 3207.51)(684.4617, 1211.76) 2 682.4601 682.4601@5.877148 + 561.3195@5.944728 5.944728 (562.3268, 1887.63) 1 561.3195 561.3195@5.944728 + 809.4194@5.9477267 5.9477267 (810.4266, 1509.36)(811.4326, 680.62) 1 809.4194 809.4194@5.9477267 + 773.5896@5.9487267 5.9487267 (774.597, 3794.56)(775.6012, 2549.33)(776.5854, 1313.78)(791.623, 2914.16)(792.6226, 1145.56) 1 773.5896 773.5896@5.9487267 + 871.6736@5.9497266 5.9497266 (872.6809, 919.27) 1 871.6736 871.6736@5.9497266 + 1021.4786@5.95907 5.95907 (1022.4879, 819.23)(1023.5, 638.63)(1024.5028, 552.14)(1004.477, 1986.87)(1005.4816, 1451.48)(1006.4901, 1544.8) 2 1021.4786 1021.4786@5.95907 + 645.3574@5.9497266 5.9497266 (646.3647, 2189.07)(647.3685, 1022.89) 1 645.3574 645.3574@5.9497266 + 422.7696@5.9512486 5.9512486 (846.5469, 5957.2646)(847.55005, 2858.1348)(848.55444, 4302.13)(849.55145, 1620.065)(850.56067, 4103.9053)(423.7773, 1787.6224) 4 422.7696 422.7696@5.9512486 + 422.2668@5.9574933 5.9574933 (423.27475, 3556.89)(424.2787, 1035.63) 3 422.2668 422.2668@5.9574933 + 730.4893@5.953725 5.953725 (731.4966, 1301.34) 1 730.4893 730.4893@5.953725 + 691.4052@6.002708 6.002708 (692.4125, 7277.23)(693.4138, 2861.86) 1 691.4052 691.4052@6.002708 + 114.0426@6.0245156 6.0245156 (115.04985, 10106.855)(116.05325, 996.19006)(137.0319, 4331.44) 2 114.0426 114.0426@6.0245156 + 742.4453@6.158656 6.158656 (743.4526, 1489.31)(744.4505, 1117.32)(745.4694, 1040.83) 1 742.4453 742.4453@6.158656 + 689.3953@6.1646543 6.1646543 (690.4026, 3386.01)(691.3973, 929.69) 1 689.3953 689.3953@6.1646543 + 667.4048@6.166654 6.166654 (668.4121, 3234.71)(669.4149, 1431.54)(670.4065, 3366.89) 1 667.4048 667.4048@6.166654 + 663.4475@6.166654 6.166654 (664.4541, 11063.4)(686.4372, 13039.37)(687.4407, 5154.71)(688.4473, 3199.0) 1 663.4475 663.4475@6.166654 + 645.284@6.166654 6.166654 (646.2913, 1549.58) 1 645.284 645.284@6.166654 + 747.4327@6.1676536 6.1676536 (748.4399, 2694.36)(749.4416, 524.11)(750.4495, 535.6) 1 747.4327 747.4327@6.1676536 + 981.5177@6.1786213 6.1786213 (982.52344, 1139.295)(983.52576, 914.88)(984.5332, 1215.84)(964.51, 1490.92)(1004.5102, 956.13)(1005.5081, 573.83) 2 981.5177 981.5177@6.1786213 + 990.5138@6.169653 6.169653 (991.5211, 1127.39)(992.5252, 1003.24)(993.5304, 862.79) 1 990.5138 990.5138@6.169653 + 1082.6135@6.169653 6.169653 (1083.6208, 924.95)(1084.6375, 705.09)(1085.6259, 777.33) 1 1082.6135 1082.6135@6.169653 + 1005.5057@6.169653 6.169653 (1006.5173, 1454.44)(1007.5087, 909.96)(988.5012, 2656.12)(989.5037, 1920.61)(990.5145, 1798.06) 1 1005.5057 1005.5057@6.169653 + 947.5304@6.171652 6.171652 (948.5374, 2123.97)(949.5361, 785.71)(950.5304, 1944.29)(951.5349, 894.45)(965.565, 861.38) 1 947.5304 947.5304@6.171652 + 840.454@6.180646 6.180646 (841.46484, 908.78)(842.4627, 528.205)(843.45514, 17921.74)(844.4585, 2848.73) 2 840.454 840.454@6.180646 + 997.5122@6.174651 6.174651 (998.5195, 1222.42)(999.5281, 806.64)(1000.5295, 1300.86) 1 997.5122 997.5122@6.174651 + 119.0945@6.20964 6.20964 (120.101875, 5207.7773) 4 119.0945 119.0945@6.20964 + 645.3597@6.2056417 6.2056417 (646.3669, 1821.29) 1 645.3597 645.3597@6.2056417 + 701.423@6.2086406 6.2086406 (702.4303, 3077.27)(703.4342, 1833.5) 1 701.423 701.423@6.2086406 + 962.5523@6.2351246 6.2351246 (963.56116, 1038.835)(964.573, 616.66504)(965.5687, 629.6) 2 962.5523 962.5523@6.2351246 + 794.4307@6.3046117 6.3046117 (795.438, 1406.45)(796.4611, 1100.39) 1 794.4307 794.4307@6.3046117 + 551.356@6.30861 6.30861 (552.3633, 2015.66)(553.3712, 671.01) 1 551.356 551.356@6.30861 + 651.3785@6.312609 6.312609 (652.3858, 2971.95)(653.4003, 1206.96)(654.3775, 7423.61)(655.3805, 2377.59) 1 651.3785 651.3785@6.312609 + 515.2997@6.36579 6.36579 (516.3082, 2090.145)(517.30975, 869.95996) 2 515.2997 515.2997@6.36579 + 707.4731@6.3725915 6.3725915 (708.4801, 8538.86)(709.4841, 3545.54)(710.4724, 1639.48)(725.5102, 1219.18) 1 707.4731 707.4731@6.3725915 + 639.375@6.421651 6.421651 (640.38245, 6764.786)(641.38513, 2791.0718)(642.3746, 7036.91)(643.3785, 1494.47) 5 639.375 639.375@6.421651 + 707.4403@6.4723587 6.4723587 (708.44824, 4238.285)(709.454, 1523.8049) 2 707.4403 707.4403@6.4723587 + 698.5353@6.493558 6.493558 (699.5426, 1728.04)(700.5509, 862.57) 1 698.5353 698.5353@6.493558 + 639.3608@6.4985566 6.4985566 (640.3681, 3074.4)(641.3693, 1232.33) 1 639.3608 639.3608@6.4985566 + 838.4683@6.499556 6.499556 (839.4755, 850.12)(840.4553, 760.67) 1 838.4683 838.4683@6.499556 + 555.351@6.6504188 6.6504188 (556.3592, 3596.64)(557.3584, 1182.6951) 3 555.351 555.351@6.6504188 + 669.3895@6.5685387 6.5685387 (670.3967, 2156.9)(671.3968, 543.51)(672.3872, 5043.6) 1 669.3895 669.3895@6.5685387 + 565.3698@6.606529 6.606529 (566.3771, 7365.02)(567.3773, 3016.2) 1 565.3698 565.3698@6.606529 + 1006.5136@6.6295233 6.6295233 (1007.5209, 610.74)(1008.5292, 575.04)(1009.526, 551.66) 1 1006.5136 1006.5136@6.6295233 + 712.536@6.6305227 6.6305227 (713.5433, 904.45) 1 712.536 712.536@6.6305227 + 549.3077@6.7352853 6.7352853 (550.3137, 2491.83)(551.3141, 987.31995) 3 549.3077 549.3077@6.7352853 + 792.4526@6.616426 6.616426 (793.46423, 1158.78)(794.4674, 635.73)(795.446, 715.02)(815.4414, 1175.12)(816.4469, 1018.76) 2 792.4526 792.4526@6.616426 + 818.4447@6.6819983 6.6819983 (819.4612, 986.74)(820.4704, 896.97504)(836.4766, 1731.61) 2 818.4447 818.4447@6.6819983 + 967.5286@6.654517 6.654517 (968.5367, 1119.94)(969.5365, 447.12)(970.5541, 1432.65)(971.5453, 490.45)(990.5172, 1553.8)(991.5221, 952.61)(992.538, 1225.46)(993.5321, 527.4) 1 967.5286 967.5286@6.654517 + 709.4182@6.658905 6.658905 (710.42444, 5526.3623)(711.4277, 2855.605)(712.41724, 4507.8853)(713.4153, 2153.475)(714.40234, 1455.02) 4 709.4182 709.4182@6.658905 + 660.3851@6.690502 6.690502 (661.39307, 2361.145)(662.403, 506.15) 2 660.3851 660.3851@6.690502 + 637.3961@6.694055 6.694055 (638.40314, 9213.314)(639.4057, 3430.575)(640.39185, 1763.84)(641.4009, 273.87) 4 637.3961 637.3961@6.694055 + 970.5457@6.700506 6.700506 (971.5512, 860.64)(972.5632, 755.27)(988.5827, 633.25) 1 970.5457 970.5457@6.700506 + 715.4149@6.7035055 6.7035055 (716.4222, 2253.17)(717.44, 1510.17) 1 715.4149 715.4149@6.7035055 + 691.4058@6.7055054 6.7055054 (692.4131, 8321.81)(693.4177, 2440.32)(694.4299, 3829.33) 1 691.4058 691.4058@6.7055054 + 839.5006@6.751726 6.751726 (840.5101, 3139.8933)(841.5115, 2470.04)(842.5213, 4203.48)(843.5274, 768.64) 6 839.5006 839.5006@6.751726 + 1164.6927@6.7145033 6.7145033 (1165.7001, 1704.22)(1166.696, 1206.02)(1167.7036, 1099.64) 1 1164.6927 1164.6927@6.7145033 + 1151.6818@6.7481055 6.7481055 (1152.6827, 1229.2999)(1153.6993, 1497.1799)(1154.6965, 1476.6699)(1155.7129, 1675.74) 3 1151.6818 1151.6818@6.7481055 + 1331.894@6.752495 6.752495 (1332.9012, 12628.67)(1333.9102, 2270.05) 1 1331.894 1331.894@6.752495 + 1570.0864@6.7534943 6.7534943 (1571.0958, 2824.85)(1572.0975, 2239.97)(1593.0754, 23203.22)(1594.0791, 17878.41)(1595.0829, 7824.75)(1596.0856, 2138.44) 1 1570.0864 1570.0864@6.7534943 + 1330.387@6.7554936 6.7554936 (1331.3943, 30659.42)(1332.3999, 22381.16)(1333.4031, 4441.51) 1 1330.387 1330.387@6.7554936 + 1590.5541@6.7594934 6.7594934 (1591.5613, 3653.36)(1592.5697, 6439.4)(1593.5787, 7314.01) 1 1590.5541 1590.5541@6.7594934 + 1073.6722@6.783488 6.783488 (1074.6794, 4951.8) 1 1073.6722 1073.6722@6.783488 + 724.5471@6.783454 6.783454 (725.55505, 3986.1948)(726.5576, 1884.42) 2 724.5471 724.5471@6.783454 + 1117.6945@6.7822995 6.7822995 (1118.68, 2183.0667)(1119.6643, 2214.535)(1120.6735, 1595.25)(1140.6863, 2907.78) 3 1117.6945 1117.6945@6.7822995 + 1289.7957@6.8349457 6.8349457 (1290.8043, 2842.7898)(1291.8022, 2069.38) 3 1289.7957 1289.7957@6.8349457 + 685.2233@6.8774686 6.8774686 (686.2306, 1204.57)(687.2424, 861.02)(688.2277, 1223.11) 1 685.2233 685.2233@6.8774686 + 673.3536@6.8824677 6.8824677 (674.3609, 1424.18)(675.3657, 668.76) 1 673.3536 673.3536@6.8824677 + 805.4732@6.891796 6.891796 (806.4801, 2174.52)(807.47736, 1592.9349)(808.4579, 816.41)(828.4645, 2190.33)(829.4689, 1125.37)(830.4723, 1201.38) 2 805.4732 805.4732@6.891796 + 105.042@6.8874483 6.8874483 (106.04935, 1767.6599) 2 105.042 105.042@6.8874483 + 715.4059@6.881785 6.881785 (716.41425, 4962.2266)(717.4205, 1923.63)(733.4405, 1101.34) 3 715.4059 715.4059@6.881785 + 698.3919@6.8846207 6.8846207 (699.39844, 2391.1948)(700.4116, 1769.105)(701.4138, 1153.54) 2 698.3919 698.3919@6.8846207 + 808.4683@6.8904657 6.8904657 (809.4756, 1134.73) 1 808.4683 808.4683@6.8904657 + 1112.6599@6.893465 6.893465 (1113.6672, 1904.41)(1114.6711, 1133.04) 1 1112.6599 1112.6599@6.893465 + 267.1583@6.8924294 6.8924294 (557.3064, 3720.15)(268.16492, 2996.17) 2 267.1583 267.1583@6.8924294 + 425.2735@6.919277 6.919277 (851.5533, 1381.67)(873.5401, 870.30005)(426.28076, 5046.502)(427.28595, 2275.9727)(428.2943, 716.14) 5 425.2735 425.2735@6.919277 + 697.4164@6.9204597 6.9204597 (698.4182, 974.2)(680.4133, 17383.27)(681.4165, 6818.06) 1 697.4164 697.4164@6.9204597 + 426.28@7.019442 7.019442 (427.2873, 2931.66) 1 426.28 426.28@7.019442 + 631.2351@7.0834317 7.0834317 (632.2424, 884.05) 1 631.2351 631.2351@7.0834317 + 413.2732@7.0889373 7.0889373 (414.2806, 11522.76)(415.28537, 2628.1199)(416.284, 736.73) 4 413.2732 413.2732@7.0889373 + 687.3781@7.100401 7.100401 (688.3843, 1777.2125)(689.3887, 1168.7933)(690.3978, 641.61) 4 687.3781 687.3781@7.100401 + 625.2687@7.1334243 7.1334243 (626.276, 1356.5) 1 625.2687 625.2687@7.1334243 + 720.0933@7.156496 7.156496 (721.10077, 1391.1733)(722.1057, 793.19)(723.0948, 746.59) 3 720.0933 720.0933@7.156496 + 658.3833@7.145422 7.145422 (659.3949, 895.18)(660.3987, 607.49)(661.4108, 996.21)(676.4148, 1407.08) 1 658.3833 658.3833@7.145422 + 876.5544@7.1464224 7.1464224 (877.5616, 1778.47)(878.5616, 828.56)(879.5773, 512.24) 1 876.5544 876.5544@7.1464224 + 535.233@7.1484222 7.1484222 (536.2403, 1450.2) 1 535.233 535.233@7.1484222 + 438.2729@7.1794176 7.1794176 (439.2802, 3474.44)(440.2881, 1308.24) 1 438.2729 438.2729@7.1794176 + 247.0106@7.2997303 7.2997303 (248.01784, 1110.0566)(269.99985, 1210.175) 3 247.0106 247.0106@7.2997303 + 617.3192@7.3094015 7.3094015 (618.3265, 1426.49)(619.3374, 794.57) 1 617.3192 617.3192@7.3094015 + 151.0299@7.4323897 7.4323897 (152.0372, 987.61) 1 151.0299 151.0299@7.4323897 + 717.387@7.471543 7.471543 (718.39484, 1883.0732)(719.398, 823.87006) 3 717.387 717.387@7.471543 + 209.0098@7.666986 7.666986 (210.01717, 2132.7734) 3 209.0098 209.0098@7.666986 + 634.33@7.7583756 7.7583756 (635.3373, 1713.08) 1 634.33 634.33@7.7583756 + 333.2111@7.7633753 7.7633753 (667.4296, 3501.48)(668.4306, 1170.88)(334.2183, 1100.25) 1 333.2111 333.2111@7.7633753 + 488.2286@7.7683754 7.7683754 (489.2359, 1624.39)(490.228, 925.61) 1 488.2286 488.2286@7.7683754 + 347.2255@7.817376 7.817376 (695.4593, 1748.79)(696.4561, 973.28)(348.2324, 1372.62) 1 347.2255 347.2255@7.817376 + 338.2205@7.828376 7.828376 (339.2278, 1949.82) 1 338.2205 338.2205@7.828376 + 622.3953@8.179162 8.179162 (623.4026, 2981.1667)(624.40436, 1146.6499) 3 622.3953 622.3953@8.179162 + 501.1969@8.295521 8.295521 (502.20395, 5309.7437)(503.2087, 1510.79)(524.1879, 584.02) 3 501.1969 501.1969@8.295521 + 294.1591@8.300395 8.300395 (589.3245, 2153.4033)(590.3251, 975.66)(295.1665, 4674.7666)(296.1723, 886.105) 3 294.1591 294.1591@8.300395 + 413.1828@8.305411 8.305411 (414.1901, 1757.47) 1 413.1828 413.1828@8.305411 + 363.1056@8.400426 8.400426 (364.1128, 1871.24) 1 363.1056 363.1056@8.400426 + 501.1975@8.433432 8.433432 (502.205, 3142.03)(503.208, 892.6)(484.1936, 5588.93)(485.1975, 1535.87)(486.1988, 686.37)(524.1884, 1109.26) 1 501.1975 501.1975@8.433432 + 399.1654@8.465438 8.465438 (400.1727, 1695.37) 1 399.1654 399.1654@8.465438 + 738.9253@9.594848 9.594848 (739.9326, 874.52) 1 738.9253 738.9253@9.594848 + 233.9581@0.72671735 0.72671735 (234.9654, 3111.22) 1 233.9581 233.9581@0.72671735 + 365.3062@0.7487657 0.7487657 (366.31354, 2138.565)(367.3147, 895.64)(368.3103, 1056.74) 2 365.3062 365.3062@0.7487657 + 450.2186@0.7477049 0.7477049 (451.2259, 1383.98) 1 450.2186 450.2186@0.7477049 + 724.3816@0.90025204 0.90025204 (725.38885, 1858.9976)(726.39215, 1049.3567) 4 724.3816 724.3816@0.90025204 + 855.2335@1.0117639 1.0117639 (856.24585, 2916.1868)(857.2424, 1519.02)(873.2669, 9175.12)(874.26807, 7124.285)(875.2658, 5761.995)(876.2646, 1682.05) 3 855.2335 855.2335@1.0117639 + 725.5298@1.0463594 1.0463594 (726.5327, 1755.46)(727.5361, 1022.61)(748.52, 5215.98)(749.5232, 2293.79)(750.5318, 1987.53) 4 725.5298 725.5298@1.0463594 + 538.1574@1.0235125 1.0235125 (539.1647, 368147.2)(540.1627, 146263.53)(541.1624, 37169.71)(542.1615, 11327.23)(543.161, 2481.73)(544.1607, 658.84) 1 538.1574 538.1574@1.0235125 + 670.3036@1.0411253 1.0411253 (671.3147, 1942.0575)(672.31866, 1070.3766) 4 670.3036 670.3036@1.0411253 + 983.2674@1.0295076 1.0295076 (984.2747, 25642.22)(985.2732, 12038.1)(986.2719, 5381.12)(987.2685, 2112.34) 1 983.2674 983.2674@1.0295076 + 1611.7559@1.0484923 1.0484923 (1612.7631, 6525.72)(1613.7487, 2254.22)(1614.7377, 2199.97) 1 1611.7559 1611.7559@1.0484923 + 412.2596@1.0555923 1.0555923 (413.26675, 7116.2695)(414.27304, 2508.8398) 2 412.2596 412.2596@1.0555923 + 413.3501@1.0661281 1.0661281 (844.7376, 2989.5989)(845.74066, 2012.3297)(846.7538, 7073.36)(847.7575, 3769.06)(848.7674, 2351.9)(414.35693, 1856.3171)(396.34485, 1642.87) 7 413.3501 413.3501@1.0661281 + 373.2468@1.0614817 1.0614817 (374.2541, 3145.22) 1 373.2468 373.2468@1.0614817 + 561.4518@1.0569415 1.0569415 (562.46155, 2484.66)(563.4615, 1617.75) 2 561.4518 561.4518@1.0569415 + 580.3986@1.0717256 1.0717256 (581.4006, 2793.32)(582.3909, 2334.58)(598.433, 4029.7998)(599.4389, 2397.28) 3 580.3986 580.3986@1.0717256 + 757.5497@1.068476 1.068476 (758.5582, 1059.38)(759.5822, 660.04)(760.5723, 1145.74)(780.5357, 671.27) 1 757.5497 757.5497@1.068476 + 619.4611@1.0710998 1.0710998 (620.46704, 2084.325)(621.4694, 1501.0)(622.457, 1958.5) 2 619.4611 619.4611@1.0710998 + 582.4643@1.0714735 1.0714735 (583.4716, 2060.04) 1 582.4643 582.4643@1.0714735 + 458.3392@1.0724726 1.0724726 (459.3465, 5089.48) 1 458.3392 458.3392@1.0724726 + 423.2941@1.074471 1.074471 (424.3014, 2343.79) 1 423.2941 423.2941@1.074471 + 432.3585@1.076078 1.076078 (433.36575, 3110.63) 2 432.3585 432.3585@1.076078 + 148.1251@1.0741909 1.0741909 (149.1324, 2280.6733) 3 148.1251 148.1251@1.0741909 + 597.3495@1.0764693 1.0764693 (598.3568, 1630.29)(599.3608, 1027.72) 1 597.3495 597.3495@1.0764693 + 408.358@1.0764693 1.0764693 (834.7522, 1326.38)(835.7579, 922.35)(409.3648, 1935.59)(410.364, 1093.51)(426.3908, 1212.28) 1 408.358 408.358@1.0764693 + 706.4551@1.0766267 1.0766267 (707.46313, 1174.9)(708.4668, 1083.58) 2 706.4551 706.4551@1.0766267 + 947.7917@1.0765957 1.0765957 (948.7987, 3711.885)(949.8028, 2236.9849)(950.8086, 1806.64) 2 947.7917 947.7917@1.0765957 + C19 H31 N O3 S 1.0843216 [ C19 H31 N O3 S, mfg=63.69, overall=31.84 ] (354.20825, 4371.098)(355.21588, 1608.19)(356.207, 1090.4225) 5 353.1998 C19 H31 N O3 S + 404.2961@1.080625 1.080625 (405.30295, 7831.95)(406.30444, 2409.865)(407.3113, 2995.44) 2 404.2961 404.2961@1.080625 + 690.4612@1.0784676 1.0784676 (691.4685, 606.63)(692.4912, 1039.57)(693.4581, 1110.75) 1 690.4612 690.4612@1.0784676 + 596.4361@1.0794144 1.0794144 (597.4422, 2980.5776)(614.4701, 3630.97)(619.4164, 1429.32) 4 596.4361 596.4361@1.0794144 + 402.3418@1.0804659 1.0804659 (403.3491, 1912.74) 1 402.3418 402.3418@1.0804659 + 674.4692@1.0804659 1.0804659 (675.4765, 1708.91)(676.4731, 959.36)(677.4629, 837.13) 1 674.4692 674.4692@1.0804659 + 570.4837@1.0887151 1.0887151 (571.49115, 2253.185) 2 570.4837 570.4837@1.0887151 + 874.7806@1.1082845 1.1082845 (875.7878, 3804.8335)(876.79364, 1361.5529)(877.7938, 806.1) 8 874.7806 874.7806@1.1082845 + 811.7018@1.0881212 1.0881212 (812.70984, 1027.305)(813.7081, 743.275)(814.6862, 999.44) 2 811.7018 811.7018@1.0881212 + 449.2638@1.1306974 1.1306974 (450.2679, 3076.8633)(451.26746, 1057.835) 3 449.2638 449.2638@1.1306974 + 781.6685@1.0954533 1.0954533 (782.6757, 1490.38) 1 781.6685 781.6685@1.0954533 + 723.6248@1.1044457 1.1044457 (724.6272, 1630.86)(706.6242, 3467.0) 1 723.6248 723.6248@1.1044457 + 527.2798@1.1094414 1.1094414 (528.2871, 1217.52) 1 527.2798 527.2798@1.1094414 + 196.0738@1.1132528 1.1132528 (393.153, 822.32)(415.1359, 704.91)(197.0815, 3263.3164)(198.0833, 1062.47) 3 196.0738 196.0738@1.1132528 + 426.2607@1.1139532 1.1139532 (427.2675, 4613.1665)(449.24908, 1824.81) 3 426.2607 426.2607@1.1139532 + 390.1615@1.1132605 1.1132605 (391.16724, 1770.765) 2 390.1615 390.1615@1.1132605 + 677.5828@1.1121043 1.1121043 (678.59424, 1245.455) 2 677.5828 677.5828@1.1121043 + 1079.8916@1.1164625 1.1164625 (1080.9003, 1735.3188)(1081.9019, 1025.2501)(1082.9045, 694.01) 9 1079.8916 1079.8916@1.1164625 + 634.3919@1.1194328 1.1194328 (635.3992, 1654.77) 1 634.3919 634.3919@1.1194328 + 783.6734@1.1133624 1.1133624 (784.6709, 2021.2067)(785.66754, 967.5433) 3 783.6734 783.6734@1.1133624 + 264.2065@1.120432 1.120432 (529.4199, 2455.44)(265.2141, 1547.85) 1 264.2065 264.2065@1.120432 + 694.4761@1.1214311 1.1214311 (695.4834, 2027.07)(696.4909, 1299.59) 1 694.4761 694.4761@1.1214311 + 289.0953@1.1224303 1.1224303 (290.1028, 1829.72)(307.1291, 6465.19)(308.1342, 1286.48) 1 289.0953 289.0953@1.1224303 + 360.2641@1.1274259 1.1274259 (361.2714, 2428.44) 1 360.2641 360.2641@1.1274259 + 474.369@1.1256882 1.1256882 (475.37692, 5313.0225)(497.3592, 1639.62) 4 474.369 474.369@1.1256882 + 299.1546@1.1325393 1.1325393 (300.1618, 9119.439)(301.1714, 4023.48)(302.1656, 2390.56) 2 299.1546 299.1546@1.1325393 + 532.3784@1.1493176 1.1493176 (533.38666, 3949.6133)(534.39154, 2433.46)(535.4001, 3131.41) 3 532.3784 532.3784@1.1493176 + 488.2779@1.1344198 1.1344198 (489.2852, 1877.79) 1 488.2779 488.2779@1.1344198 + 469.3039@1.1452475 1.1452475 (470.3106, 3042.675)(471.3104, 1665.05)(472.3231, 3045.56) 2 469.3039 469.3039@1.1452475 + 573.3849@1.1198738 1.1198738 (574.3958, 4169.455)(575.39795, 2214.9102)(576.3922, 2542.705) 4 573.3849 573.3849@1.1198738 + 437.2807@1.152404 1.152404 (438.2859, 1876.22)(460.2701, 21765.5)(461.2731, 7816.72) 1 437.2807 437.2807@1.152404 + 270.1875@1.1603969 1.1603969 (271.1948, 3249.73) 1 270.1875 270.1875@1.1603969 + 276.1938@1.1639651 1.1639651 (277.2023, 6912.223)(278.2055, 1664.9299)(279.1935, 3391.57)(294.22653, 10283.434)(295.2281, 4586.77) 3 276.1938 276.1938@1.1639651 + 278.1521@1.1673906 1.1673906 (279.1594, 48815.0)(280.1648, 7922.81)(301.141, 8106.72)(302.1532, 2519.42) 1 278.1521 278.1521@1.1673906 + 166.0264@1.1673906 1.1673906 (167.0337, 19497.52)(168.0373, 2192.04)(149.0231, 46628.82)(150.0263, 3620.03) 1 166.0264 166.0264@1.1673906 + 659.2232@1.1743842 1.1743842 (660.2305, 1857.81) 1 659.2232 659.2232@1.1743842 + 544.3346@1.1763825 1.1763825 (545.3419, 1218.68) 1 544.3346 544.3346@1.1763825 + 523.4269@1.2127906 1.2127906 (524.43524, 3413.8657)(525.4375, 1384.6072)(526.4263, 1196.985) 7 523.4269 523.4269@1.2127906 + 318.1484@1.2163458 1.2163458 (654.3326, 2187.97)(655.3398, 664.32)(319.1544, 2656.51)(320.16, 1558.98) 1 318.1484 318.1484@1.2163458 + 278.1524@1.219343 1.219343 (579.2934, 1353.66)(279.1596, 22790.16)(280.1676, 4307.54)(301.1418, 6554.34)(302.1542, 1974.42) 1 278.1524 278.1524@1.219343 + 440.3543@1.2263364 1.2263364 (441.3643, 1975.76)(463.3427, 3116.92) 1 440.3543 440.3543@1.2263364 + 166.0266@1.2283344 1.2283344 (167.0339, 6693.27)(168.0375, 1036.35)(149.0233, 20711.34)(150.0257, 1744.97) 1 166.0266 166.0266@1.2283344 + 213.1158@1.2177277 1.2177277 (214.12575, 16332.69)(215.1307, 4313.22) 2 213.1158 213.1158@1.2177277 + 466.3451@1.2443193 1.2443193 (467.3524, 2718.91) 1 466.3451 466.3451@1.2443193 + 493.1844@1.2824329 1.2824329 (494.19305, 3695.925)(495.19562, 1419.565) 2 493.1844 493.1844@1.2824329 + 331.1879@1.250452 1.250452 (332.19202, 3307.46) 2 331.1879 331.1879@1.250452 + 365.2402@1.254632 1.254632 (366.2481, 4685.7256)(367.25296, 1672.715) 5 365.2402 365.2402@1.254632 + 532.3464@1.2513126 1.2513126 (533.3536, 4637.78)(534.3452, 3111.75)(535.3449, 1132.03) 1 532.3464 532.3464@1.2513126 + 460.2797@1.2523117 1.2523117 (461.287, 1563.69) 1 460.2797 460.2797@1.2523117 + 528.2419@1.2543098 1.2543098 (529.2492, 3157.46)(530.2535, 1752.59) 1 528.2419 528.2419@1.2543098 + 757.5894@1.2559371 1.2559371 (758.5981, 1760.09)(759.6102, 1767.38) 3 757.5894 757.5894@1.2559371 + 495.3397@1.2553089 1.2553089 (496.3469, 2752.99)(497.3419, 1474.4) 1 495.3397 495.3397@1.2553089 + 485.3222@1.2563078 1.2563078 (486.3295, 2322.62)(487.3384, 1734.31) 1 485.3222 485.3222@1.2563078 + 330.2764@1.2567766 1.2567766 (331.2834, 2897.0898)(353.2665, 1821.52) 4 330.2764 330.2764@1.2567766 + 681.1715@1.2633011 1.2633011 (682.1787, 1719.09) 1 681.1715 681.1715@1.2633011 + 246.0642@1.2641231 1.2641231 (247.07182, 5853.5776)(248.07825, 1113.984)(249.0777, 1043.45) 7 246.0642 246.0642@1.2641231 + 211.0877@1.2643001 1.2643001 (212.0957, 1030.11)(194.0843, 8538.44) 1 211.0877 211.0877@1.2643001 + 590.4628@1.2724953 1.2724953 (591.46906, 2787.953)(592.47626, 1596.294) 7 590.4628 590.4628@1.2724953 + 193.1576@1.2793018 1.2793018 (194.16463, 11074.018)(195.16933, 2922.68)(196.1684, 1135.15) 4 193.1576 193.1576@1.2793018 + 402.2079@1.3202448 1.3202448 (403.2152, 1884.81)(404.2164, 432.28)(405.22, 1149.82) 1 402.2079 402.2079@1.3202448 + 339.2265@1.3113328 1.3113328 (340.2349, 13710.793)(341.23566, 3005.0898)(342.2305, 2455.74) 3 339.2265 339.2265@1.3113328 + 700.1905@1.3342307 1.3342307 (701.1978, 1090.95)(702.212, 494.86) 1 700.1905 700.1905@1.3342307 + 528.2422@1.3482162 1.3482162 (529.2495, 1485.26)(530.2566, 720.96) 1 528.2422 528.2422@1.3482162 + 198.1802@1.3518523 1.3518523 (199.18741, 1914.2649) 2 198.1802 198.1802@1.3518523 + 444.3318@1.3701935 1.3701935 (445.3391, 2701.31)(446.3389, 1240.5)(447.3464, 2393.83) 1 444.3318 444.3318@1.3701935 + 314.1257@1.3992074 1.3992074 (315.13397, 6829.036)(316.13724, 1579.65) 5 314.1257 314.1257@1.3992074 + 563.3491@1.4031066 1.4031066 (564.35675, 4801.2197)(565.3587, 2048.077)(566.35815, 1304.1699) 4 563.3491 563.3491@1.4031066 + 816.6146@1.4271326 1.4271326 (817.6219, 947.94)(818.6242, 585.11) 1 816.6146 816.6146@1.4271326 + 314.1268@1.4617548 1.4617548 (315.13428, 5600.75)(316.1375, 1813.2849) 2 314.1268 314.1268@1.4617548 + 478.1838@1.4630929 1.4630929 (479.1911, 655.29)(480.195, 744.84) 1 478.1838 478.1838@1.4630929 + 291.219@1.4716815 1.4716815 (292.2264, 1948.5668) 3 291.219 291.219@1.4716815 + 443.3277@1.471084 1.471084 (444.3361, 873.01)(426.3243, 4235.09)(427.3299, 1638.27)(428.322, 787.22) 1 443.3277 443.3277@1.471084 + 814.5582@1.471084 1.471084 (815.5637, 682.49)(837.5477, 2923.01)(838.5527, 1273.39)(839.5637, 4201.27)(840.5668, 2131.83)(841.574, 508.9) 1 814.5582 814.5582@1.471084 + 297.1786@1.4750794 1.4750794 (298.1859, 33189.0)(299.1885, 6039.18) 1 297.1786 297.1786@1.4750794 + 316.1288@1.5250224 1.5250224 (317.1361, 6001.44)(318.1432, 1055.9) 1 316.1288 316.1288@1.5250224 + 644.2617@1.5370084 1.5370084 (645.269, 1307.33) 1 644.2617 644.2617@1.5370084 + 235.0957@1.5459979 1.5459979 (236.103, 9319.53)(237.1059, 1467.68)(238.0926, 622.95) 1 235.0957 235.0957@1.5459979 + 493.1843@1.5619788 1.5619788 (494.1916, 1313.4) 1 493.1843 493.1843@1.5619788 + 333.1286@1.5872337 1.5872337 (334.1351, 1501.9) 2 333.1286 333.1286@1.5872337 + 338.0818@1.5919429 1.5919429 (339.0891, 1185.07) 1 338.0818 338.0818@1.5919429 + 538.3083@1.5929416 1.5929416 (539.3155, 1783.88)(540.329, 942.52) 1 538.3083 538.3083@1.5929416 + 760.511@1.6418813 1.6418813 (761.5183, 1409.32) 1 760.511 760.511@1.6418813 + 438.2227@1.657267 1.657267 (439.23022, 2259.38)(440.2355, 988.30994)(441.2138, 432.68) 3 438.2227 438.2227@1.657267 + 487.205@1.6838281 1.6838281 (488.2123, 2084.19) 1 487.205 487.205@1.6838281 + 492.1603@1.6838281 1.6838281 (493.1676, 4389.33)(494.172, 1463.75) 1 492.1603 492.1603@1.6838281 + 477.1911@1.7077972 1.7077972 (478.1981, 1221.06)(479.2039, 1006.67)(500.181, 677.43) 1 477.1911 477.1911@1.7077972 + 412.1568@1.7187829 1.7187829 (413.1641, 1036.82) 1 412.1568 412.1568@1.7187829 + 549.3335@1.7737097 1.7737097 (550.3408, 3156.49)(551.3445, 1214.59)(552.348, 1216.59) 1 549.3335 549.3335@1.7737097 + 213.0794@1.7917497 1.7917497 (214.08698, 4452.418)(215.09265, 1427.3026) 4 213.0794 213.0794@1.7917497 + 552.321@1.8396188 1.8396188 (553.3282, 2214.01)(554.3298, 922.9) 1 552.321 552.321@1.8396188 + 554.3364@1.8416162 1.8416162 (555.3436, 1528.07)(556.3438, 1259.25) 1 554.3364 554.3364@1.8416162 + 494.1768@1.8486062 1.8486062 (495.1841, 1641.03)(496.1848, 903.85) 1 494.1768 494.1768@1.8486062 + 676.355@1.8632045 1.8632045 (677.3615, 3927.3564)(678.36444, 2372.525)(679.3685, 1111.72) 3 676.355 676.355@1.8632045 + 400.2827@1.8856866 1.8856866 (401.29175, 2290.14)(402.2886, 735.04)(403.2997, 1239.47) 2 400.2827 400.2827@1.8856866 + 532.3539@1.8673502 1.8673502 (533.3622, 2395.495)(534.3606, 957.25) 2 532.3539 532.3539@1.8673502 + 484.2972@1.9764194 1.9764194 (485.3045, 2030.48) 1 484.2972 484.2972@1.9764194 + 502.307@1.9854058 1.9854058 (503.3142, 15030.56)(504.3181, 5345.72)(505.3248, 2651.82) 1 502.307 502.307@1.9854058 + 527.3026@1.9913967 1.9913967 (528.3099, 1501.46) 1 527.3026 527.3026@1.9913967 + 664.2391@1.9913967 1.9913967 (665.2463, 1081.24)(666.2428, 748.95) 1 664.2391 664.2391@1.9913967 + 370.2292@1.9943922 1.9943922 (371.2364, 4941.35)(372.2402, 1530.92) 1 370.2292 370.2292@1.9943922 + 474.2766@2.052491 2.052491 (475.28284, 2695.91)(476.2996, 471.58)(497.2665, 1714.46) 2 474.2766 474.2766@2.052491 + 411.2498@2.0692756 2.0692756 (412.2564, 1626.35)(434.2393, 2022.04) 1 411.2498 411.2498@2.0692756 + 525.3662@2.1691132 2.1691132 (526.3735, 2891.25) 1 525.3662 525.3662@2.1691132 + 281.1988@2.1757905 2.1757905 (282.20584, 3165.1025)(283.20813, 970.93005) 4 281.1988 281.1988@2.1757905 + 240.2052@2.289906 2.289906 (241.2125, 1316.0) 1 240.2052 240.2052@2.289906 + 528.2872@2.7719586 2.7719586 (529.2945, 2605.01)(530.2965, 1053.52)(531.3086, 2158.96) 1 528.2872 528.2872@2.7719586 + 497.2811@2.8118713 2.8118713 (498.2886, 3333.77)(499.2963, 1462.68)(520.2702, 6217.21)(521.2737, 1548.65) 1 497.2811 497.2811@2.8118713 + 541.2455@2.8148646 2.8148646 (542.2527, 1132.89) 1 541.2455 541.2455@2.8148646 + 357.2361@2.8308294 2.8308294 (358.2434, 8313.65)(359.2444, 2710.2) 1 357.2361 357.2361@2.8308294 + 632.2477@2.837655 2.837655 (633.2549, 4330.96)(634.25885, 1779.33)(635.2644, 1118.6) 2 632.2477 632.2477@2.837655 + 576.3669@2.895691 2.895691 (577.37396, 2100.9849)(578.3773, 921.315) 2 576.3669 576.3669@2.895691 + 204.0751@2.94015 2.94015 (205.08255, 5783.2197)(206.084, 1658.56) 2 204.0751 204.0751@2.94015 + 903.3708@2.9735036 2.9735036 (904.377, 1246.28)(926.3603, 2058.85)(927.3603, 1040.47) 1 903.3708 903.3708@2.9735036 + 742.256@2.9514089 2.9514089 (743.2627, 3000.625)(744.2665, 1546.1001)(745.2652, 773.36) 2 742.256 742.256@2.9514089 + 737.302@2.9844778 2.9844778 (738.3093, 2365.35)(739.3125, 1090.19) 1 737.302 737.302@2.9844778 + 409.1075@2.9844778 2.9844778 (410.1148, 1558.82) 1 409.1075 409.1075@2.9844778 + 1030.5222@3.0044305 3.0044305 (1031.5294, 1706.02)(1032.532, 1186.0)(1033.5375, 720.81) 1 1030.5222 1030.5222@3.0044305 + 990.5288@3.0064259 3.0064259 (991.5361, 2286.25)(992.5404, 1619.31)(993.5415, 765.69) 1 990.5288 990.5288@3.0064259 + 1048.5326@3.0104163 3.0104163 (1049.5399, 4739.71)(1050.543, 3483.21)(1051.5446, 1471.75) 1 1048.5326 1048.5326@3.0104163 + 1008.5406@3.0104163 3.0104163 (1009.5478, 4856.68)(1010.5503, 2852.12) 1 1008.5406 1008.5406@3.0104163 + 608.198@3.0173995 3.0173995 (609.2053, 3121.49)(610.1995, 1309.62)(611.196, 1152.55) 1 608.198 608.198@3.0173995 + 676.184@3.0243833 3.0243833 (677.1913, 1650.73)(678.1886, 934.21) 1 676.184 676.184@3.0243833 + 368.0982@3.027376 3.027376 (369.1055, 1551.35) 1 368.0982 368.0982@3.027376 + 495.2656@3.2669225 3.2669225 (496.27356, 2926.4102)(497.27698, 1552.4551)(498.2792, 680.73) 2 495.2656 495.2656@3.2669225 + 543.2598@3.3186412 3.3186412 (544.2671, 1566.86)(545.2742, 785.23) 1 543.2598 543.2598@3.3186412 + 665.174@3.4881783 3.4881783 (666.1813, 1927.21)(667.1833, 793.03) 1 665.174 665.174@3.4881783 + 499.2413@3.5001445 3.5001445 (500.2486, 4812.13)(501.2528, 1626.02) 1 499.2413 499.2413@3.5001445 + 148.0161@3.5011418 3.5011418 (149.0234, 17624.82)(150.0265, 1628.32) 1 148.0161 148.0161@3.5011418 + 314.1261@3.5011418 3.5011418 (315.1334, 2806.44)(316.1392, 955.99) 1 314.1261 314.1261@3.5011418 + 471.2106@3.5021389 3.5021389 (472.2179, 314939.94)(473.2208, 73345.52)(474.2234, 15357.66)(475.2261, 2500.43) 1 471.2106 471.2106@3.5021389 + 476.1658@3.503136 3.503136 (953.3368, 1037.87)(477.1731, 219943.8)(478.1763, 54081.67)(479.1787, 10286.31)(480.1816, 1596.67) 1 476.1658 476.1658@3.503136 + 930.35@3.503136 3.503136 (931.3573, 6333.3)(932.3604, 3540.62)(933.3635, 1107.52) 1 930.35 930.35@3.503136 + 492.1394@3.5051303 3.5051303 (493.1466, 4663.1)(494.1508, 1343.75) 1 492.1394 492.1394@3.5051303 + 512.2369@3.5061276 3.5061276 (513.2442, 2127.09)(514.2528, 981.07) 1 512.2369 512.2369@3.5061276 + 278.1517@3.5061276 3.5061276 (279.159, 11686.9)(280.1621, 849.24) 1 278.1517 278.1517@3.5061276 + 297.1931@3.52403 3.52403 (298.20065, 6796.0195)(299.20715, 2122.96)(300.2088, 2763.41)(280.1886, 1746.68)(320.18427, 1893.95) 3 297.1931 297.1931@3.52403 + 463.2754@3.6128209 3.6128209 (464.2827, 39954.53)(465.2856, 12515.21)(466.2855, 3856.77)(467.2851, 660.44) 1 463.2754 463.2754@3.6128209 + 514.3074@3.630768 3.630768 (515.3147, 1762.73)(516.3247, 832.11) 1 514.3074 514.3074@3.630768 + 1000.5962@3.6736412 3.6736412 (1001.6035, 1280.53)(1002.6044, 1092.89) 1 1000.5962 1000.5962@3.6736412 + 276.0857@3.6766322 3.6766322 (277.093, 3902.63) 1 276.0857 276.0857@3.6766322 + 594.2194@3.6776295 3.6776295 (595.2266, 1550.81)(596.23, 809.35) 1 594.2194 594.2194@3.6776295 + 640.2241@3.6965725 3.6965725 (641.2313, 973.4) 1 640.2241 640.2241@3.6965725 + 535.2581@3.836718 3.836718 (536.265, 5512.45)(537.26843, 2000.625)(558.2468, 2670.935)(559.2518, 909.55005) 2 535.2581 535.2581@3.836718 + 537.2732@3.8959548 3.8959548 (1075.5538, 8429.33)(1076.5562, 5292.71)(1077.5564, 2350.26)(1097.5325, 2383.76)(1098.5402, 1424.73)(538.2806, 39767.4)(539.2841, 11993.51)(540.2837, 3848.27)(560.2624, 12088.83)(561.2649, 3770.28)(562.2637, 1449.74) 1 537.2732 537.2732@3.8959548 + 1096.5281@3.9287767 3.9287767 (1097.5349, 2942.145)(1098.5381, 2090.4)(1099.5404, 1133.28) 2 1096.5281 1096.5281@3.9287767 + 518.3031@3.9987411 3.9987411 (519.31067, 1711.53)(520.3279, 553.02) 2 518.3031 518.3031@3.9987411 + 1053.5637@4.009586 4.009586 (1054.571, 5668.72)(1055.5721, 2571.81)(1056.5746, 954.68) 1 1053.5637 1053.5637@4.009586 + 1062.5403@4.015566 4.015566 (1063.5482, 1761.67)(1064.5562, 1087.53)(1085.5277, 836.38) 1 1062.5403 1062.5403@4.015566 + 1062.0376@4.019553 4.019553 (1063.0449, 1718.97)(1064.0541, 1064.44) 1 1062.0376 1062.0376@4.019553 + 1073.5328@4.0211744 4.0211744 (1074.5393, 3617.19)(1096.5217, 1505.1) 2 1073.5328 1073.5328@4.0211744 + 571.3292@4.02354 4.02354 (572.3365, 2029.79) 1 571.3292 571.3292@4.02354 + 1094.5101@4.0245366 4.0245366 (1095.5175, 1982.47)(1096.5208, 1302.36) 1 1094.5101 1094.5101@4.0245366 + 1039.049@4.0245366 4.0245366 (1040.0563, 2699.13)(1041.0634, 1685.7) 1 1039.049 1039.049@4.0245366 + 1072.0215@4.02653 4.02653 (1073.0287, 1434.24)(1074.0363, 1061.33)(1075.0388, 988.04) 1 1072.0215 1072.0215@4.02653 + 1294.6844@4.0275264 4.0275264 (1295.6956, 1323.21)(1296.6962, 1781.99)(1297.704, 1344.93)(1317.6698, 1176.54)(1318.6753, 1467.64)(1319.6798, 1901.69) 1 1294.6844 1294.6844@4.0275264 + 1306.1774@4.028523 4.028523 (1307.1854, 1596.6)(1308.19, 2019.85)(1309.1942, 1653.41)(1329.1655, 882.77)(1330.1696, 1220.02)(1331.1724, 681.72) 1 1306.1774 1306.1774@4.028523 + 495.2652@4.0278096 4.0278096 (496.27234, 18082.895)(497.27557, 5275.0146)(478.2621, 3248.0273)(479.265, 1391.1266) 4 495.2652 495.2652@4.0278096 + 1083.0143@4.028523 4.028523 (1084.0216, 960.89)(1085.025, 585.24) 1 1083.0143 1083.0143@4.028523 + 725.1513@4.0295196 4.0295196 (726.1585, 1935.49)(727.1624, 661.14)(728.1585, 998.72) 1 725.1513 725.1513@4.0295196 + 780.9079@4.0305166 4.0305166 (1562.8303, 914.39)(1563.8267, 1204.56)(1564.8301, 1416.93)(1565.8337, 1259.45)(781.914, 2094.69)(782.9161, 1497.6) 1 780.9079 780.9079@4.0305166 + 709.1561@4.0315137 4.0315137 (710.1634, 2938.1)(711.1661, 1342.31)(712.1643, 1609.49) 1 709.1561 709.1561@4.0315137 + 1049.0367@4.0325103 4.0325103 (1050.0452, 2485.54)(1072.0228, 1199.15) 1 1049.0367 1049.0367@4.0325103 + 1082.5057@4.0325103 4.0325103 (1083.513, 1346.03)(1084.525, 528.16) 1 1082.5057 1082.5057@4.0325103 + 792.3982@4.0325103 4.0325103 (793.4049, 3305.64)(794.4127, 2206.9)(815.3889, 1315.79) 1 792.3982 792.3982@4.0325103 + 1038.0446@4.033507 4.033507 (1039.0509, 2279.91)(1061.0345, 2392.84)(1062.04, 2129.25) 1 1038.0446 1038.0446@4.033507 + 781.4071@4.033507 4.033507 (782.4151, 2402.5)(783.4145, 1269.05)(804.3957, 2323.06)(805.4046, 1664.68) 1 781.4071 781.4071@4.033507 + 791.8968@4.0306444 4.0306444 (792.90344, 2912.6948)(793.90796, 2364.37)(794.9102, 1096.04)(814.8855, 1144.985)(815.8908, 953.0)(816.8956, 696.93) 2 791.8968 791.8968@4.0306444 + 257.2352@4.104269 4.104269 (258.242, 738.24)(240.232, 2291.6) 1 257.2352 257.2352@4.104269 + 485.1893@4.1291842 4.1291842 (486.1965, 1942.14) 1 485.1893 485.1893@4.1291842 + 490.1451@4.1311774 4.1311774 (491.1523, 3224.17)(492.1549, 804.38) 1 490.1451 490.1451@4.1311774 + 327.3133@4.1381536 4.1381536 (328.3206, 4460.61)(329.3238, 1433.21) 1 327.3133 327.3133@4.1381536 + 543.2869@4.195954 4.195954 (544.2941, 1701.47)(545.3, 928.12) 1 543.2869 543.2869@4.195954 + 465.1675@4.2414994 4.2414994 (466.17493, 4395.1797)(467.17807, 1236.13) 4 465.1675 465.1675@4.2414994 + 786.3466@4.322505 4.322505 (787.3539, 1425.87)(788.3535, 945.28) 1 786.3466 786.3466@4.322505 + 492.1606@4.327487 4.327487 (493.1679, 1435.19) 1 492.1606 492.1606@4.327487 + 553.2457@4.328483 4.328483 (554.253, 1555.83) 1 553.2457 553.2457@4.328483 + 1063.5552@4.330692 4.330692 (1064.5635, 1958.7051)(1065.5658, 1625.145)(1086.5437, 1173.325)(1087.5452, 1215.245) 2 1063.5552 1063.5552@4.330692 + 451.1499@4.332469 4.332469 (452.1572, 2447.39) 1 451.1499 451.1499@4.332469 + 367.26@4.4619913 4.4619913 (368.2693, 680.93)(390.2485, 2183.0) 1 367.26 367.26@4.4619913 + 328.0523@4.4719543 4.4719543 (329.0596, 4753.77)(330.0629, 732.23) 1 328.0523 328.0523@4.4719543 + 1332.692@4.600463 4.600463 (1333.6991, 2716.8)(1334.7008, 1746.38)(1335.6946, 679.14)(1355.6823, 919.08) 1 1332.692 1332.692@4.600463 + 1332.1907@4.601459 4.601459 (1333.198, 1649.7)(1334.2001, 2293.25)(1335.2024, 1141.56) 1 1332.1907 1332.1907@4.601459 + 1321.2019@4.6034513 4.6034513 (1322.21, 2303.13)(1323.2101, 3258.93)(1324.2115, 1411.98)(1325.2009, 483.08)(1344.1882, 1136.76) 1 1321.2019 1321.2019@4.6034513 + 1568.3572@4.6067405 4.6067405 (1569.3658, 2674.4949)(1570.3652, 2400.635)(1571.3665, 1001.485)(1591.3461, 1738.3601)(1592.3452, 1399.0)(1593.3431, 718.4) 2 1568.3572 1568.3572@4.6067405 + 1301.225@4.6054435 4.6054435 (1302.2323, 2951.29) 1 1301.225 1301.225@4.6054435 + 1578.8533@4.606439 4.606439 (1579.8601, 1486.54)(1580.857, 3147.48)(1581.8593, 1648.92)(1601.8435, 618.38) 1 1578.8533 1578.8533@4.606439 + 1579.3484@4.606439 4.606439 (1580.3557, 2339.26)(1581.3574, 2335.56)(1582.3549, 1140.32) 1 1579.3484 1579.3484@4.606439 + 1056.5734@4.606439 4.606439 (1057.5807, 2279.7)(1058.5814, 1049.79) 1 1056.5734 1056.5734@4.606439 + 1311.2125@4.606439 4.606439 (1312.2198, 5268.84)(1313.2207, 2298.22) 1 1311.2125 1311.2125@4.606439 + 1297.2463@4.606439 4.606439 (1298.2535, 1421.87)(1299.2513, 1283.68)(1300.2288, 2978.76)(1301.2283, 5250.13) 1 1297.2463 1297.2463@4.606439 + 1565.3792@4.6074357 4.6074357 (1566.3865, 1282.72)(1567.3861, 1904.4)(1568.39, 1258.99) 1 1565.3792 1565.3792@4.6074357 + 1041.5748@4.6074357 4.6074357 (1042.582, 1116.36)(1043.584, 1211.59) 1 1041.5748 1041.5748@4.6074357 + 1565.8778@4.6074357 4.6074357 (1566.8851, 1734.54)(1567.8849, 1430.59)(1568.8654, 5628.57)(1569.8647, 7105.41)(1570.8668, 4719.77)(1571.8673, 2014.12)(1572.8677, 807.43) 1 1565.8778 1565.8778@4.6074357 + 1308.233@4.6074357 4.6074357 (1309.2404, 1930.06)(1310.245, 1197.96)(1311.2189, 3227.13) 1 1308.233 1308.233@4.6074357 + 595.3309@4.6124163 4.6124163 (596.3382, 2174.56)(597.3415, 622.49) 1 595.3309 595.3309@4.6124163 + 560.3446@4.6144085 4.6144085 (561.3518, 1611.6)(562.3619, 771.55) 1 560.3446 560.3446@4.6144085 + 1096.5282@4.627165 4.627165 (1097.5359, 14162.18)(1098.5393, 8907.936)(1099.541, 3904.96)(1100.5394, 1202.03) 2 1096.5282 1096.5282@4.627165 + 900.5577@4.642299 4.642299 (901.565, 1443.52) 1 900.5577 900.5577@4.642299 + 906.601@4.6921024 4.6921024 (907.6083, 833.59) 1 906.601 906.601@4.6921024 + 1096.5278@4.75983 4.75983 (1097.5352, 3992.27)(1098.5381, 2398.88)(1099.5345, 1155.72) 1 1096.5278 1096.5278@4.75983 + 589.2663@4.845479 4.845479 (590.2736, 1960.32) 1 589.2663 589.2663@4.845479 + 675.9168@4.9064517 4.9064517 (676.9231, 1424.91) 2 675.9168 675.9168@4.9064517 + 177.1265@4.9445014 4.9445014 (178.1337, 13210.215)(179.1378, 1830.625)(180.13733, 879.44) 4 177.1265 177.1265@4.9445014 + 375.9344@4.983896 4.983896 (376.9417, 1279.69) 1 375.9344 375.9344@4.983896 + 719.4416@5.097402 5.097402 (720.4488, 2452.63) 1 719.4416 719.4416@5.097402 + 711.5028@5.190985 5.190985 (712.5101, 2257.12) 1 711.5028 711.5028@5.190985 + 157.1464@5.3213882 5.3213882 (158.1537, 18668.78)(159.1568, 2460.79) 1 157.1464 157.1464@5.3213882 + 911.5151@5.392057 5.392057 (912.5224, 2199.96) 1 911.5151 911.5151@5.392057 + 886.5138@5.396929 5.396929 (887.51953, 2431.56)(888.5115, 2513.08)(889.5233, 1454.69) 2 886.5138 886.5138@5.396929 + 939.6729@5.416939 5.416939 (940.6801, 1264.24) 1 939.6729 939.6729@5.416939 + 1247.8212@5.446797 5.446797 (1248.8285, 872.55)(1249.823, 1173.5)(1250.8285, 1127.42) 1 1247.8212 1247.8212@5.446797 + 1222.8527@5.4848633 5.4848633 (1223.8604, 2864.7168)(1224.8615, 1653.1866)(1225.8435, 1236.8201) 3 1222.8527 1222.8527@5.4848633 + 1201.336@5.484764 5.484764 (1202.3412, 1609.3402)(1203.338, 1554.9268)(1204.338, 1745.42)(1184.336, 3604.99) 3 1201.336 1201.336@5.484764 + 1586.6099@5.487924 5.487924 (1587.6179, 1529.1638)(1588.6261, 1800.4529)(1589.6332, 1695.1884)(1590.6398, 1003.2566)(1591.6417, 622.23004)(1604.6368, 759.67)(1605.6141, 688.85)(1606.6106, 662.19) 8 1586.6099 1586.6099@5.487924 + 1230.3307@5.494567 5.494567 (1231.338, 1685.09)(1232.344, 1555.16)(1233.35, 1295.82) 1 1230.3307 1230.3307@5.494567 + 1169.3158@5.4877567 5.4877567 (1170.3239, 1805.64) 3 1169.3158 1169.3158@5.4877567 + 1211.3556@5.530215 5.530215 (1212.3629, 2422.2075)(1213.3625, 1136.9967)(1214.3486, 996.795) 4 1211.3556 1211.3556@5.530215 + 1564.1224@5.478599 5.478599 (1565.1313, 6389.08)(1566.1392, 8753.58)(1567.1447, 6130.28) 2 1564.1224 1564.1224@5.478599 + 1592.622@5.511485 5.511485 (1593.6228, 759.75)(1594.623, 578.07)(1575.6204, 1840.17)(1576.6274, 2161.18)(1577.6339, 2176.76)(1578.6383, 1326.0)(1579.6444, 487.75) 1 1592.622 1592.622@5.511485 + 847.5379@5.5151324 5.5151324 (848.5472, 19886.732)(849.5503, 9577.142)(850.56055, 4219.67)(851.56433, 1098.785) 13 847.5379 847.5379@5.5151324 + 1190.8304@5.509674 5.509674 (1191.8402, 1606.3066)(1192.8406, 1808.9567)(1193.8365, 2027.845)(1194.8369, 1137.76) 3 1190.8304 1190.8304@5.509674 + 1157.3147@5.524422 5.524422 (1158.322, 1966.83) 1 1157.3147 1157.3147@5.524422 + 775.5714@5.5284023 5.5284023 (776.5786, 4379.07) 1 775.5714 775.5714@5.5284023 + 791.5764@5.530393 5.530393 (792.5837, 21573.96)(793.5707, 17926.49) 1 791.5764 791.5764@5.530393 + 1280.8264@5.5319834 5.5319834 (1281.835, 1398.4299)(1282.8372, 1255.74)(1283.8501, 2495.46)(1284.8549, 2504.18)(1285.8586, 2248.22)(1286.8667, 1230.99)(1303.8174, 959.31) 2 1280.8264 1280.8264@5.5319834 + 1260.8542@5.548305 5.548305 (1261.8615, 2030.52)(1262.8654, 961.93) 1 1260.8542 1260.8542@5.548305 + 929.5574@5.5556517 5.5556517 (930.5654, 3637.85) 2 929.5574 929.5574@5.5556517 + 471.3339@5.5734787 5.5734787 (472.34155, 2503.16)(473.34473, 1246.42) 3 471.3339 471.3339@5.5734787 + 894.6591@5.496477 5.496477 (895.6682, 2683.3875)(896.673, 1447.6875) 4 894.6591 894.6591@5.496477 + 789.6025@5.581422 5.581422 (790.60803, 14654.35)(791.6085, 6062.34)(792.5968, 3534.17) 2 789.6025 789.6025@5.581422 + 855.6428@5.578159 5.578159 (856.65, 2881.31)(857.6561, 1409.21)(858.659, 2124.08) 1 855.6428 855.6428@5.578159 + 473.3504@5.583909 5.583909 (474.35794, 2048.165)(475.3602, 1479.41) 2 473.3504 473.3504@5.583909 + 1169.0984@5.5851245 5.5851245 (1170.1057, 1046.77)(1171.1069, 623.81) 1 1169.0984 1169.0984@5.5851245 + 909.5729@5.59209 5.59209 (910.5802, 1467.56) 1 909.5729 909.5729@5.59209 + 930.573@5.6015925 5.6015925 (931.5792, 9481.87)(932.5821, 4453.31)(953.56396, 3983.865)(954.56744, 2394.155) 2 930.573 930.573@5.6015925 + 792.5617@5.612986 5.612986 (793.569, 3672.76) 1 792.5617 792.5617@5.612986 + 1259.346@5.60966 5.60966 (1260.354, 1017.55005)(1261.3622, 1606.2051)(1262.3688, 1003.51996) 2 1259.346 1259.346@5.60966 + 450.3527@5.612904 5.612904 (451.35956, 1646.74) 2 450.3527 450.3527@5.612904 + 803.6131@5.618515 5.618515 (804.6199, 2865.37)(805.6243, 1463.1599) 2 803.6131 803.6131@5.618515 + 1304.8279@5.6244884 5.6244884 (1305.8334, 2032.3301)(1306.8375, 1739.15)(1307.8464, 1411.06)(1327.8177, 1626.0)(1328.8203, 1270.58)(1329.832, 1070.995) 2 1304.8279 1304.8279@5.6244884 + 859.6049@5.640847 5.640847 (860.6122, 1375.88)(861.614, 888.63)(862.6315, 1129.1) 1 859.6049 859.6049@5.640847 + 821.5366@5.628964 5.628964 (822.5449, 3513.8767)(823.5469, 1774.4166)(824.5568, 20723.69) 3 821.5366 821.5366@5.628964 + 824.5535@5.67314 5.67314 (825.5612, 10503.302)(826.55676, 7207.8477)(827.5545, 3106.907)(842.5895, 964.26) 5 824.5535 824.5535@5.67314 + 799.054@5.610613 5.610613 (800.0624, 1590.14)(801.0603, 941.125)(802.0652, 1195.145) 2 799.054 799.054@5.610613 + 901.5778@5.6866174 5.6866174 (902.5851, 1078.02) 1 901.5778 901.5778@5.6866174 + 847.6474@5.6815443 5.6815443 (848.65314, 2137.51)(849.65173, 1098.2375)(850.6542, 1136.45) 4 847.6474 847.6474@5.6815443 + 355.2721@5.76492 5.76492 (356.27972, 2929.77) 2 355.2721 355.2721@5.76492 + 833.5904@5.829382 5.829382 (834.59735, 9101.554)(835.6005, 3697.2903)(836.6089, 3709.21)(837.6138, 997.24) 3 833.5904 833.5904@5.829382 + 873.5469@5.830393 5.830393 (874.5532, 2303.27)(875.5565, 1332.4675) 4 873.5469 873.5469@5.830393 + 902.5816@5.8348565 5.8348565 (903.5889, 3147.83)(904.5964, 2726.81)(905.6016, 1371.42) 1 902.5816 902.5816@5.8348565 + 641.355@5.839831 5.839831 (642.3623, 2801.2)(643.3663, 1389.37) 1 641.355 641.355@5.839831 + 228.0303@5.9034963 5.9034963 (229.0376, 998.57) 1 228.0303 228.0303@5.9034963 + 763.6565@5.9174223 5.9174223 (764.6638, 913.94) 1 763.6565 763.6565@5.9174223 + 866.5254@5.957023 5.957023 (867.53217, 2724.5073)(868.5314, 1577.3075)(869.53357, 925.505) 4 866.5254 866.5254@5.957023 + 843.5177@5.9589314 5.9589314 (844.52026, 3219.7751)(845.5259, 1782.04)(866.5084, 7344.04)(867.5097, 4434.91)(868.5278, 6488.29)(869.531, 3466.25)(870.5449, 3295.57) 4 843.5177 843.5177@5.9589314 + 573.2213@5.9621835 5.9621835 (574.2286, 1459.75) 1 573.2213 573.2213@5.9621835 + 779.5437@5.969118 5.969118 (780.55096, 6333.1978)(781.55493, 3120.5667) 6 779.5437 779.5437@5.969118 + 833.5872@5.967157 5.967157 (834.5957, 2714.9)(835.597, 1010.27)(836.6123, 2500.46)(837.6143, 1440.56)(838.6237, 609.26)(856.571, 840.42)(857.582, 547.77)(858.5737, 334.36) 1 833.5872 833.5872@5.967157 + 583.1645@5.968151 5.968151 (584.1718, 3066.7)(585.1745, 703.27) 1 583.1645 583.1645@5.968151 + 793.5784@5.970141 5.970141 (794.5846, 1212.23)(816.5689, 984.76)(817.5716, 1020.17) 1 793.5784 793.5784@5.970141 + 365.2564@6.0361686 6.0361686 (366.26367, 2453.71)(367.2664, 810.96) 2 365.2564 365.2564@6.0361686 + 327.2409@6.1353807 6.1353807 (328.2481, 3112.995)(329.2515, 945.44) 2 327.2409 327.2409@6.1353807 + 582.0772@6.176011 6.176011 (583.0831, 940.16)(565.0748, 1361.57) 1 582.0772 582.0772@6.176011 + 464.1117@6.1819777 6.1819777 (465.1164, 746.95)(447.1089, 4002.77)(448.1141, 993.67) 1 464.1117 464.1117@6.1819777 + 797.5331@6.199877 6.199877 (798.5404, 7850.81)(799.5443, 3441.41)(800.5452, 1747.16) 1 797.5331 797.5331@6.199877 + 823.5487@6.2008395 6.2008395 (824.55615, 8454.207)(825.55865, 4267.08)(826.5662, 2957.2168)(827.5693, 1161.93) 3 823.5487 823.5487@6.2008395 + 453.3087@6.312237 6.312237 (454.316, 2555.56) 1 453.3087 453.3087@6.312237 + 465.3454@6.3299494 6.3299494 (466.3526, 2722.9248)(467.3555, 1673.44) 2 465.3454 465.3454@6.3299494 + 461.3148@6.33411 6.33411 (462.322, 3299.63)(463.3257, 1036.34) 1 461.3148 461.3148@6.33411 + 467.3607@6.341976 6.341976 (468.36948, 2148.5566)(469.36542, 1275.725) 3 467.3607 467.3607@6.341976 + 622.4023@6.486216 6.486216 (623.4096, 2000.84) 1 622.4023 622.4023@6.486216 + 399.2628@6.509453 6.509453 (400.26904, 1875.8401)(401.2667, 1134.09) 2 399.2628 399.2628@6.509453 + 647.2725@6.6025133 6.6025133 (648.2798, 1423.24) 1 647.2725 647.2725@6.6025133 + 675.4457@6.606489 6.606489 (676.453, 1603.64)(677.4568, 865.59) 1 675.4457 675.4457@6.606489 + C25 H35 N17 O3 6.652617 [ C25 H35 N17 O3, mfg=74.74, overall=37.37 ] (622.3145, 2781.12)(623.3167, 1027.989)(624.3291, 639.695)(604.3076, 2323.08)(605.3097, 917.2) 11 621.3064 C25 H35 N17 O3 + 617.3518@6.6545024 6.6545024 (618.35925, 2853.67)(619.3633, 1181.2968)(620.36835, 1591.8534)(621.3735, 812.09) 3 617.3518 617.3518@6.6545024 + 578.412@6.656184 6.656184 (579.4187, 7628.39)(601.4025, 2993.12) 1 578.412 578.412@6.656184 + 630.4386@6.680036 6.680036 (631.4459, 827.54) 1 630.4386 630.4386@6.680036 + 916.5989@6.6973414 6.6973414 (917.60547, 1295.905)(918.60803, 844.47) 2 916.5989 916.5989@6.6973414 + 591.3248@6.6986213 6.6986213 (592.3326, 24696.979)(593.338, 6099.23) 3 591.3248 591.3248@6.6986213 + 608.2975@6.698919 6.698919 (609.3048, 1491.07) 1 608.2975 608.2975@6.698919 + 919.5014@6.6999106 6.6999106 (920.5139, 1358.7733)(921.5156, 977.5833)(922.5126, 882.86) 3 919.5014 919.5014@6.6999106 + 1135.6649@6.7207766 6.7207766 (1136.677, 3700.6875)(1137.6792, 4163.79)(1138.6812, 1859.96) 4 1135.6649 1135.6649@6.7207766 + 867.4753@6.712282 6.712282 (868.4828, 1400.8301)(869.5028, 909.49) 2 867.4753 867.4753@6.712282 + 1048.6469@6.733088 6.733088 (1049.6571, 4206.339)(1050.6613, 3207.2039)(1051.6697, 5640.9277) 8 1048.6469 1048.6469@6.733088 + 1037.1515@6.7198806 6.7198806 (1038.157, 2350.4458)(1039.1599, 1229.4371)(1040.1718, 2318.985)(1041.175, 1457.49) 7 1037.1515 1037.1515@6.7198806 + 1167.6447@6.7217765 6.7217765 (1168.6519, 1074.45)(1169.6506, 1109.26)(1170.6602, 959.65) 1 1167.6447 1167.6447@6.7217765 + 1104.1495@6.7242107 6.7242107 (1105.1564, 1018.11)(1106.1597, 1094.4551)(1107.1713, 1071.755) 2 1104.1495 1104.1495@6.7242107 + 1334.3278@6.7281866 6.7281866 (1335.333, 1511.78)(1336.3406, 1724.2051)(1337.3491, 2256.44)(1357.3242, 854.21)(1358.3315, 1418.05)(1359.3401, 1741.35) 2 1334.3278 1334.3278@6.7281866 + 830.5143@6.731325 6.731325 (831.52386, 1982.4033)(832.52014, 1431.43)(833.4988, 2210.11) 3 830.5143 830.5143@6.731325 + 1116.1461@6.7251663 6.7251663 (1117.1573, 1240.3501)(1118.164, 1073.0333)(1119.1726, 958.82) 3 1116.1461 1116.1461@6.7251663 + 1324.8462@6.7307205 6.7307205 (1325.8514, 2306.33)(1347.8372, 1738.08)(1348.8442, 1677.59) 1 1324.8462 1324.8462@6.7307205 + 1082.1815@6.748412 6.748412 (1083.1875, 1759.6399)(1084.187, 1437.995)(1085.183, 1089.29) 2 1082.1815 1082.1815@6.748412 + 824.011@6.7317142 6.7317142 (825.0204, 2569.16)(846.9975, 1656.99) 1 824.011 824.011@6.7317142 + 1380.8344@6.735689 6.735689 (1381.8416, 941.55)(1382.8455, 763.07)(1383.8625, 842.53) 1 1380.8344 1380.8344@6.735689 + 1371.8365@6.7348814 6.7348814 (1372.8502, 1340.755)(1373.8536, 1169.8501)(1374.8572, 1141.4099)(1375.8718, 407.64) 2 1371.8365 1371.8365@6.7348814 + 887.0165@6.739664 6.739664 (888.0238, 888.83)(889.0405, 1371.05) 1 887.0165 887.0165@6.739664 + 1348.8467@6.7426457 6.7426457 (1349.854, 2156.84) 1 1348.8467 1348.8467@6.7426457 + 808.5308@6.7436395 6.7436395 (809.5381, 4153.29) 1 808.5308 808.5308@6.7436395 + 524.1107@6.7505956 6.7505956 (525.118, 1343.69) 1 524.1107 524.1107@6.7505956 + 654.4569@6.7605333 6.7605333 (655.4641, 1551.99) 1 654.4569 654.4569@6.7605333 + 837.9877@6.743837 6.743837 (1676.9832, 718.2)(1677.9862, 748.31)(839.0, 4109.895)(840.0078, 3751.7634)(841.0115, 4370.96) 4 837.9877 837.9877@6.743837 + 814.4909@6.7444334 6.7444334 (815.49805, 3959.9248) 2 814.4909 814.4909@6.7444334 + 1074.1599@6.7754393 6.7754393 (1075.1671, 2740.0) 1 1074.1599 1074.1599@6.7754393 + 1073.1504@6.7823954 6.7823954 (1074.1577, 2194.38) 1 1073.1504 1073.1504@6.7823954 + 801.9883@6.784848 6.784848 (802.99524, 29632.324)(804.0028, 26197.53) 2 801.9883 801.9883@6.784848 + 1308.3114@6.7979927 6.7979927 (1309.3188, 12879.625)(1310.323, 15734.605)(1311.3296, 8067.5996)(1312.3379, 3901.5898)(1313.3458, 1086.69) 2 1308.3114 1308.3114@6.7979927 + 806.9916@6.798294 6.798294 (808.0005, 2544.48)(789.9882, 27691.84)(790.993, 16049.08) 1 806.9916 806.9916@6.798294 + 1543.977@6.8098392 6.8098392 (1544.9851, 4334.4053)(1545.9885, 5720.48)(1546.9917, 2811.4) 2 1543.977 1543.977@6.8098392 + 573.3092@6.852917 6.852917 (574.315, 21799.9)(575.3185, 7170.1714)(576.3239, 3563.6538) 6 573.3092 573.3092@6.852917 + 536.2925@6.8459907 6.8459907 (537.2997, 1702.38)(538.2992, 1258.8) 1 536.2925 536.2925@6.8459907 + 583.2859@6.8607135 6.8607135 (584.29297, 2883.9333)(585.29645, 891.01) 3 583.2859 583.2859@6.8607135 + 398.2776@6.8688436 6.8688436 (399.2849, 4906.08)(400.2887, 1210.92) 1 398.2776 398.2776@6.8688436 + 400.2927@6.8718247 6.8718247 (401.3, 1338.94)(402.2927, 814.88) 1 400.2927 400.2927@6.8718247 + 396.2614@6.894677 6.894677 (397.2687, 2659.59)(398.2732, 836.06) 1 396.2614 396.2614@6.894677 + 814.6276@6.9599504 6.9599504 (815.63556, 1007.97)(816.64465, 748.53503) 2 814.6276 814.6276@6.9599504 + 517.3164@7.0466805 7.0466805 (518.3237, 2532.0)(519.3264, 922.85) 1 517.3164 517.3164@7.0466805 + 386.1008@7.148994 7.148994 (387.1081, 1783.96) 1 386.1008 386.1008@7.148994 + 537.3431@7.1509805 7.1509805 (538.3501, 1416.39)(539.3596, 545.3)(560.3325, 2285.83) 1 537.3431 537.3431@7.1509805 + 540.0872@7.1638927 7.1638927 (541.0945, 3663.69)(542.0929, 944.39) 1 540.0872 540.0872@7.1638927 + 522.3281@7.8082514 7.8082514 (523.3353, 1857.44) 1 522.3281 522.3281@7.8082514 + 228.1112@8.217027 8.217027 (229.1185, 1720.93) 1 228.1112 228.1112@8.217027 + 175.1155@8.701911 8.701911 (176.1227, 4375.75)(177.1341, 689.12) 1 175.1155 175.1155@8.701911 + 366.0148@0.77116823 0.77116823 (367.02206, 3929.7551)(368.02533, 889.89246)(369.0233, 645.35) 6 366.0148 366.0148@0.77116823 + 382.3245@0.83905387 0.83905387 (383.33093, 2684.8367)(384.34, 612.27997)(385.3422, 786.42)(365.324, 820.06) 3 382.3245 382.3245@0.83905387 + 1223.7854@0.9956343 0.9956343 (1224.7898, 1690.625)(1225.793, 1442.47)(1206.7839, 1366.275)(1207.7867, 1407.9)(1208.7957, 4496.21)(1209.7992, 3990.58) 2 1223.7854 1223.7854@0.9956343 + 1002.2777@1.0062628 1.0062628 (1003.2855, 4152.385)(1004.2836, 2052.62) 2 1002.2777 1002.2777@1.0062628 + 1043.204@1.0064441 1.0064441 (1044.2113, 1174.59)(1045.2084, 917.92)(1046.2065, 1108.49) 1 1043.204 1043.204@1.0064441 + 894.1846@1.0085412 1.0085412 (895.1913, 1568.92)(896.1876, 1154.025)(897.18774, 762.995) 2 894.1846 894.1846@1.0085412 + 1115.2354@1.0118749 1.0118749 (1116.2422, 1746.3325)(1117.2435, 1949.73)(1118.2412, 1998.1125)(1119.2429, 1794.19)(1120.2395, 797.59) 4 1115.2354 1115.2354@1.0118749 + 787.5471@1.0124387 1.0124387 (788.5543, 1580.59)(789.5558, 992.0) 1 787.5471 787.5471@1.0124387 + 520.4839@1.0154359 1.0154359 (521.4912, 1388.42) 1 520.4839 520.4839@1.0154359 + 1199.7185@1.031024 1.031024 (1200.7273, 6234.085)(1201.7292, 4628.505)(1202.731, 2180.74)(1203.731, 1169.08) 2 1199.7185 1199.7185@1.031024 + 610.411@1.0553985 1.0553985 (611.4211, 2034.48)(628.4442, 6807.45)(629.4562, 3459.68) 1 610.411 610.411@1.0553985 + 420.358@1.0685885 1.0685885 (858.7537, 856.93)(421.3651, 2147.58) 2 420.358 420.358@1.0685885 + 440.3605@1.0633909 1.0633909 (441.3678, 2525.07) 1 440.3605 440.3605@1.0633909 + 504.4145@1.074615 1.074615 (505.42178, 2565.0166)(506.43, 1325.62) 3 504.4145 504.4145@1.074615 + 544.2449@1.0653889 1.0653889 (545.2514, 1027.78)(562.2792, 990.59) 1 544.2449 544.2449@1.0653889 + 671.3131@1.066388 1.066388 (672.3204, 1831.04)(673.326, 719.3) 1 671.3131 671.3131@1.066388 + 801.5904@1.066388 1.066388 (802.5977, 1285.18)(803.5889, 808.58)(804.5943, 977.58) 1 801.5904 801.5904@1.066388 + 610.4648@1.0683861 1.0683861 (611.468, 2686.91)(628.5007, 4549.02)(629.5133, 2381.8) 1 610.4648 610.4648@1.0683861 + 452.3392@1.0693852 1.0693852 (453.3469, 3759.49)(470.3729, 6610.44)(471.3622, 3758.01)(472.3623, 6415.71) 1 452.3392 452.3392@1.0693852 + 629.4639@1.0708566 1.0708566 (630.4685, 4483.275)(631.4705, 2600.175)(632.4846, 2893.32)(647.4959, 2535.96) 2 629.4639 629.4639@1.0708566 + 691.5143@1.0723822 1.0723822 (692.5216, 2810.51)(693.5207, 1831.06)(694.5272, 1758.71) 1 691.5143 691.5143@1.0723822 + 699.5462@1.0712266 1.0712266 (700.55084, 2825.1367)(701.55005, 1835.5634)(702.53986, 4927.98)(703.54614, 2732.165)(704.56177, 4496.05) 3 699.5462 699.5462@1.0712266 + 632.4749@1.1010046 1.1010046 (633.475, 2644.805)(634.4557, 1173.77) 2 632.4749 632.4749@1.1010046 + 339.3468@1.0733813 1.0733813 (340.3541, 899.21) 1 339.3468 339.3468@1.0733813 + 704.5548@1.0755696 1.0755696 (705.5595, 2555.6348)(706.574, 1289.13)(727.541, 1679.7) 2 704.5548 704.5548@1.0755696 + 709.5314@1.0743804 1.0743804 (710.5387, 2500.86)(711.5434, 1594.21) 1 709.5314 709.5314@1.0743804 + 548.3758@1.0785679 1.0785679 (549.3795, 4678.7)(550.3913, 4380.44)(551.3943, 5643.12) 2 548.3758 548.3758@1.0785679 + 342.2764@1.0776253 1.0776253 (343.28113, 2104.475)(325.2729, 6500.665)(326.2731, 3402.08) 2 342.2764 342.2764@1.0776253 + 787.5676@1.0803745 1.0803745 (788.5702, 1504.03)(789.595, 1056.98)(790.5856, 1352.86)(805.6036, 1193.7) 1 787.5676 787.5676@1.0803745 + 508.337@1.0815027 1.0815027 (509.34775, 5918.48)(510.3578, 4466.63) 2 508.337 508.337@1.0815027 + 560.2484@1.0843706 1.0843706 (561.2556, 1108.18) 1 560.2484 560.2484@1.0843706 + 735.5137@1.0843706 1.0843706 (736.521, 1827.35)(737.5186, 1566.47)(738.513, 1960.75) 1 735.5137 735.5137@1.0843706 + 440.2035@1.0853696 1.0853696 (441.2108, 1772.01)(442.2013, 821.73) 1 440.2035 440.2035@1.0853696 + 743.558@1.0883666 1.0883666 (744.5653, 2904.73)(745.5742, 2140.46) 1 743.558 743.558@1.0883666 + 709.6448@1.0913638 1.0913638 (710.6458, 769.55)(692.6427, 2192.98)(693.6574, 1030.99) 1 709.6448 709.6448@1.0913638 + 761.5778@1.0933617 1.0933617 (762.5856, 3091.2)(763.5757, 1636.23)(764.5969, 3010.92)(784.5627, 1307.02) 1 761.5778 761.5778@1.0933617 + 361.3171@1.0987844 1.0987844 (362.3257, 4066.3535)(379.3487, 1919.16) 3 361.3171 361.3171@1.0987844 + 332.2907@1.09927 1.09927 (333.29825, 7489.4863)(334.30234, 2153.63)(335.2927, 4143.4) 3 332.2907 332.2907@1.09927 + 444.2818@1.0900209 1.0900209 (445.2909, 2369.995) 2 444.2818 444.2818@1.0900209 + 403.2125@1.0973579 1.0973579 (404.2194, 1229.03)(386.2092, 20341.05)(387.2244, 6148.37) 1 403.2125 403.2125@1.0973579 + 463.424@1.0987822 1.0987822 (464.43002, 2533.4758)(465.4328, 1001.796)(466.4298, 1038.28) 5 463.424 463.424@1.0987822 + 451.3627@1.095569 1.095569 (452.3709, 3779.6099) 2 451.3627 451.3627@1.095569 + 319.0186@1.1043509 1.1043509 (320.0258, 2147.27) 1 319.0186 319.0186@1.1043509 + 440.3231@1.1083469 1.1083469 (441.3304, 5654.69) 1 440.3231 440.3231@1.1083469 + 1203.3259@1.1119785 1.1119785 (1204.3328, 4879.87)(1205.3322, 3628.34) 2 1203.3259 1203.3259@1.1119785 + 540.2685@1.1073549 1.1073549 (541.27423, 1377.7633)(542.2847, 1002.85) 3 540.2685 540.2685@1.1073549 + 650.4058@1.122845 1.122845 (651.41235, 2305.875)(652.4204, 1453.62)(653.4077, 1032.19) 2 650.4058 650.4058@1.122845 + 849.7763@1.1653645 1.1653645 (850.78107, 2012.3)(851.7879, 1903.86)(852.7934, 681.1)(872.7698, 856.31) 2 849.7763 849.7763@1.1653645 + 426.2978@1.1253301 1.1253301 (870.6319, 825.46)(427.3049, 3772.72) 1 426.2978 426.2978@1.1253301 + 785.6708@1.126329 1.126329 (786.6781, 1984.83)(787.6802, 1210.88)(788.6814, 731.79) 1 785.6708 785.6708@1.126329 + 452.2763@1.1283269 1.1283269 (453.2836, 3429.46)(454.2878, 2430.05) 1 452.2763 452.2763@1.1283269 + 664.4869@1.1283269 1.1283269 (665.4934, 3075.89)(666.4891, 1397.08)(667.4936, 1382.34)(687.4781, 1560.72) 1 664.4869 664.4869@1.1283269 + 361.2074@1.1030242 1.1030242 (362.2142, 3464.79)(363.2114, 1704.21) 2 361.2074 361.2074@1.1030242 + 537.1565@1.1916875 1.1916875 (538.1637, 2850.3125)(539.1646, 1638.1567) 4 537.1565 537.1565@1.1916875 + 277.2613@1.1333219 1.1333219 (278.2686, 2655.59) 1 277.2613 277.2613@1.1333219 + 649.4998@1.098542 1.098542 (650.503, 2372.62)(651.4943, 1783.44)(632.4939, 2260.75)(633.5011, 1706.02) 2 649.4998 649.4998@1.098542 + 594.3412@1.1383169 1.1383169 (595.3485, 7523.42)(596.3536, 3136.46) 1 594.3412 594.3412@1.1383169 + 479.1826@1.1393158 1.1393158 (480.1899, 1002.64) 1 479.1826 479.1826@1.1393158 + 384.25@1.1431441 1.1431441 (769.5086, 821.29)(385.25586, 6955.0566)(367.2471, 24258.29)(368.2465, 8414.68)(407.24, 7741.62)(408.2413, 5735.99) 3 384.25 384.25@1.1431441 + 561.4049@1.1473076 1.1473076 (562.4122, 3039.58) 1 561.4049 561.4049@1.1473076 + 766.4267@1.1480128 1.1480128 (767.43585, 771.395)(749.42505, 3181.315)(750.4279, 1594.5)(751.4347, 1262.91) 2 766.4267 766.4267@1.1480128 + 324.2261@1.1205192 1.1205192 (325.23523, 3857.8848)(326.231, 2272.71)(342.2634, 1440.46) 2 324.2261 324.2261@1.1205192 + 352.3169@1.1652892 1.1652892 (353.3242, 251813.0) 1 352.3169 352.3169@1.1652892 + 531.3967@1.1912619 1.1912619 (532.404, 4295.23)(533.4037, 1517.16) 1 531.3967 531.3967@1.1912619 + 666.4832@1.1863303 1.1863303 (667.4903, 1841.0399)(668.5045, 1226.27)(669.5076, 1237.94) 4 666.4832 666.4832@1.1863303 + 319.2935@1.2022501 1.2022501 (320.3008, 2346.64)(321.3142, 591.88) 1 319.2935 319.2935@1.2022501 + 519.3411@1.2030449 1.2030449 (520.34863, 4817.255)(521.3386, 2207.27)(522.3422, 1851.01) 2 519.3411 519.3411@1.2030449 + 602.331@1.2042481 1.2042481 (603.3373, 939.03)(620.365, 5562.01)(621.3674, 1973.02) 1 602.331 602.331@1.2042481 + 449.3354@1.2159879 1.2159879 (450.33896, 4715.536)(451.3441, 2019.65) 5 449.3354 449.3354@1.2159879 + 274.1922@1.1549315 1.1549315 (275.1994, 3006.4648) 2 274.1922 274.1922@1.1549315 + 536.4163@1.241208 1.241208 (537.4235, 1034.16) 1 536.4163 536.4163@1.241208 + 505.2542@1.2442046 1.2442046 (506.2614, 2363.85)(507.264, 941.49) 1 505.2542 505.2542@1.2442046 + 375.3716@1.2462025 1.2462025 (376.3789, 2040.7) 1 375.3716 375.3716@1.2462025 + 214.1318@1.2459426 1.2459426 (215.1391, 14505.77)(216.1498, 3055.56) 2 214.1318 214.1318@1.2459426 + 428.1841@1.2482002 1.2482002 (429.1914, 4682.58)(430.1984, 2926.2) 1 428.1841 428.1841@1.2482002 + 495.2691@1.2482002 1.2482002 (496.2764, 2412.34)(497.2825, 1602.04) 1 495.2691 495.2691@1.2482002 + 447.2267@1.251197 1.251197 (448.234, 9720.72)(449.2399, 3270.6) 1 447.2267 447.2267@1.251197 + 287.1737@1.2522504 1.2522504 (592.3773, 1534.97)(593.3822, 1191.4)(288.18048, 13216.01) 4 287.1737 287.1737@1.2522504 + 319.2@1.2529746 1.2529746 (320.20697, 3958.355)(302.1964, 6327.14)(303.1887, 3038.39) 2 319.2 319.2@1.2529746 + 347.2674@1.2521958 1.2521958 (348.2747, 60012.93)(349.2876, 18529.25) 1 347.2674 347.2674@1.2521958 + 366.2393@1.2509829 1.2509829 (755.4697, 626.03)(367.24756, 6795.763) 3 366.2393 366.2393@1.2509829 + 407.3218@1.2541937 1.2541937 (408.329, 5271.9)(409.3337, 1788.49)(410.3349, 11431.51)(411.3242, 2742.94) 1 407.3218 407.3218@1.2541937 + 429.265@1.2541937 1.2541937 (430.2723, 2605.25) 1 429.265 429.265@1.2541937 + 733.4961@1.2551925 1.2551925 (734.5034, 3141.61)(735.5, 1441.72)(736.5177, 4332.93)(737.5191, 2064.97)(738.52, 1429.31) 1 733.4961 733.4961@1.2551925 + 768.5355@1.2551925 1.2551925 (769.5428, 592.81)(770.5421, 647.12)(771.5566, 3491.33)(772.5591, 1663.18) 1 768.5355 768.5355@1.2551925 + 705.4694@1.2561914 1.2561914 (706.4766, 1407.27)(707.4689, 875.56) 1 705.4694 705.4694@1.2561914 + 752.538@1.2561914 1.2561914 (753.5453, 2846.97)(754.5421, 1891.52)(755.5446, 1192.67) 1 752.538 752.538@1.2561914 + 359.2638@1.1966445 1.1966445 (360.272, 3731.875)(361.27502, 2029.2151) 2 359.2638 359.2638@1.1966445 + 707.6614@1.2581891 1.2581891 (708.6687, 2127.4)(709.6715, 917.22) 1 707.6614 707.6614@1.2581891 + 468.1782@1.259188 1.259188 (469.1855, 1218.2) 1 468.1782 468.1782@1.259188 + 508.3735@1.259188 1.259188 (509.3809, 7867.18)(510.3856, 4298.61)(511.3804, 2137.22)(531.3609, 1113.24) 1 508.3735 508.3735@1.259188 + 703.5427@1.259188 1.259188 (704.5452, 748.27)(686.54, 4322.94)(687.5495, 2693.01)(688.5309, 1715.94) 1 703.5427 703.5427@1.259188 + 714.5796@1.2611858 1.2611858 (715.5869, 659.18)(716.5919, 800.89) 1 714.5796 714.5796@1.2611858 + 323.1559@1.2611858 1.2611858 (324.1638, 6092.04)(306.1523, 15197.66)(307.1537, 5529.68) 1 323.1559 323.1559@1.2611858 + 515.4058@1.2631837 1.2631837 (516.4108, 2483.45)(517.4263, 472.15)(518.4035, 1025.4)(538.3956, 5293.27)(539.389, 1860.5) 1 515.4058 515.4058@1.2631837 + 772.5781@1.2641824 1.2641824 (773.5854, 1325.72)(774.5947, 1155.43) 1 772.5781 772.5781@1.2641824 + 296.2812@1.2671791 1.2671791 (297.2885, 2219.6) 1 296.2812 296.2812@1.2671791 + 274.1955@1.2941486 1.2941486 (275.2028, 1383.8) 1 274.1955 274.1955@1.2941486 + 426.1842@1.3041372 1.3041372 (427.1915, 3959.89)(428.1965, 945.3)(429.1897, 681.82) 1 426.1842 426.1842@1.3041372 + 180.035@1.3109102 1.3109102 (181.04214, 7962.195)(182.04941, 1322.1201)(183.039, 710.62) 2 180.035 180.035@1.3109102 + 380.2535@1.2416972 1.2416972 (381.26163, 109629.664)(382.2643, 52470.02)(383.2653, 9523.974)(384.2666, 2639.86) 6 380.2535 380.2535@1.2416972 + 621.4886@1.3351012 1.3351012 (622.4959, 967.11) 1 621.4886 621.4886@1.3351012 + 664.4928@1.3388417 1.3388417 (665.5001, 5190.585)(666.50226, 1799.3201) 2 664.4928 664.4928@1.3388417 + 236.1524@1.3596436 1.3596436 (237.1596, 10885.661)(238.15753, 4434.0) 6 236.1524 236.1524@1.3596436 + 231.1736@1.3772149 1.3772149 (232.18231, 1855.875)(254.1623, 3668.32) 2 231.1736 231.1736@1.3772149 + 393.2029@1.3927674 1.3927674 (394.21222, 4867.875)(395.213, 1964.67)(396.2038, 1221.11) 2 393.2029 393.2029@1.3927674 + 472.3176@1.3940307 1.3940307 (473.3248, 3147.86)(474.3279, 1326.67) 1 472.3176 472.3176@1.3940307 + 474.3405@1.4080136 1.4080136 (475.3478, 1905.51) 1 474.3405 474.3405@1.4080136 + 421.3032@1.4289875 1.4289875 (422.3105, 3670.17) 1 421.3032 421.3032@1.4289875 + 768.5326@1.4459662 1.4459662 (769.5399, 1363.2)(770.5431, 943.21) 1 768.5326 768.5326@1.4459662 + 384.1407@1.4602462 1.4602462 (385.14862, 3008.19)(386.1528, 1003.4) 2 384.1407 384.1407@1.4602462 + 305.2302@1.4569523 1.4569523 (306.2375, 2353.17) 1 305.2302 305.2302@1.4569523 + 249.0839@1.4859152 1.4859152 (250.0912, 2654.31)(251.0982, 528.34) 1 249.0839 249.0839@1.4859152 + 170.039@1.4959022 1.4959022 (171.0463, 1057.2) 1 170.039 170.039@1.4959022 + 525.3513@1.4950786 1.4950786 (526.35834, 1713.6775)(527.35986, 683.95)(548.3446, 762.28) 4 525.3513 525.3513@1.4950786 + 330.1328@1.5428402 1.5428402 (331.1401, 2716.01) 1 330.1328 330.1328@1.5428402 + 211.0677@1.61496 1.61496 (212.07455, 3314.345)(213.07816, 961.465) 2 211.0677 211.0677@1.61496 + 145.1104@1.641704 1.641704 (146.1179, 898.92)(128.1071, 6588.31)(129.1069, 753.37) 1 145.1104 145.1104@1.641704 + 465.3462@1.6456982 1.6456982 (466.3534, 928.37) 1 465.3462 465.3462@1.6456982 + 965.6014@1.6543698 1.6543698 (966.6082, 1280.5732)(967.61206, 1070.0549)(988.5906, 1773.0533)(989.59247, 1222.84) 3 965.6014 965.6014@1.6543698 + 356.1089@1.6706631 1.6706631 (357.1163, 2199.1602) 2 356.1089 356.1089@1.6706631 + 768.5347@1.6986219 1.6986219 (769.542, 1606.9)(770.5417, 840.24) 1 768.5347 768.5347@1.6986219 + 1025.558@1.7087387 1.7087387 (1026.566, 1716.7549)(1027.5691, 1283.7)(1028.5701, 849.0) 6 1025.558 1025.558@1.7087387 + 245.0514@1.7086072 1.7086072 (246.0587, 2839.73) 1 245.0514 245.0514@1.7086072 + 373.2469@1.6849614 1.6849614 (374.2543, 1873.48)(375.2585, 886.03) 3 373.2469 373.2469@1.6849614 + 225.1655@1.7098784 1.7098784 (226.1699, 5139.16)(227.17395, 1373.885) 2 225.1655 225.1655@1.7098784 + 250.0928@1.7355672 1.7355672 (251.1001, 3254.78) 1 250.0928 250.0928@1.7355672 + 145.1102@1.7864901 1.7864901 (146.1171, 4441.11)(147.1209, 938.89)(128.107, 26655.75)(129.1099, 2093.83) 1 145.1102 145.1102@1.7864901 + 781.4907@1.8252964 1.8252964 (782.49744, 1542.155)(783.501, 970.45)(784.5135, 981.56) 2 781.4907 781.4907@1.8252964 + 708.52@1.8633697 1.8633697 (709.5272, 954.88) 1 708.52 708.52@1.8633697 + 657.503@1.8693602 1.8693602 (658.5103, 6139.03)(659.5145, 2448.7) 1 657.503 657.503@1.8693602 + 183.0395@1.9567895 1.9567895 (184.04686, 16359.965)(185.05014, 1260.6849)(201.07404, 2957.35)(206.029, 2564.8533) 4 183.0395 183.0395@1.9567895 + 643.9722@1.9092956 1.9092956 (644.9795, 928.27) 1 643.9722 643.9722@1.9092956 + 700.5536@1.9662013 1.9662013 (701.5608, 3540.84) 1 700.5536 700.5536@1.9662013 + 130.036@2.1215086 2.1215086 (131.0433, 1581.9099) 2 130.036 130.036@2.1215086 + 243.9034@2.2179341 2.2179341 (244.9105, 1061.675)(261.93713, 1350.6399) 2 243.9034 243.9034@2.2179341 + 153.0423@2.5630538 2.5630538 (154.0492, 2203.41)(136.0391, 8123.38)(137.0431, 776.64) 1 153.0423 153.0423@2.5630538 + 796.5641@2.6857817 2.6857817 (797.5714, 1136.8)(798.5711, 539.84)(799.5828, 1443.41)(800.5888, 535.31) 1 796.5641 796.5641@2.6857817 + 260.0726@2.6867797 2.6867797 (261.0811, 1344.3)(278.106, 3232.22)(279.0978, 1030.78) 1 260.0726 260.0726@2.6867797 + 482.1602@2.6966922 2.6966922 (483.167, 3801.105) 2 482.1602 482.1602@2.6966922 + 668.1775@2.7107153 2.7107153 (669.1848, 2207.565)(670.1873, 753.83) 2 668.1775 668.1775@2.7107153 + 792.3508@2.7329555 2.7329555 (793.3583, 1815.0449)(794.3613, 965.96) 2 792.3508 792.3508@2.7329555 + 190.9916@2.8174763 2.8174763 (191.9989, 1217.76) 1 190.9916 190.9916@2.8174763 + 859.6587@2.839424 2.839424 (860.666, 6293.44)(861.6702, 3460.22)(862.6678, 1189.19) 1 859.6587 859.6587@2.839424 + 384.1422@2.9128592 2.9128592 (385.1493, 24026.531)(367.1425, 1333.51) 3 384.1422 384.1422@2.9128592 + 347.1208@2.9252152 2.9252152 (348.1281, 1169.46)(349.1307, 587.89) 1 347.1208 347.1208@2.9252152 + 548.3411@2.9418843 2.9418843 (549.34814, 3826.105)(550.34937, 1534.2849)(551.3465, 1331.33) 2 548.3411 548.3411@2.9418843 + 170.0392@2.9166873 2.9166873 (171.04613, 2932.3652) 4 170.0392 170.0392@2.9166873 + 417.3349@2.9441686 2.9441686 (418.3422, 937.52) 1 417.3349 417.3349@2.9441686 + 326.1348@3.080822 3.080822 (327.142, 2726.4) 1 326.1348 326.1348@3.080822 + 691.105@3.0866113 3.0866113 (692.1127, 1370.315)(693.1162, 682.20996) 2 691.105 691.105@3.0866113 + 561.1599@3.084226 3.084226 (562.1669, 2008.5732) 3 561.1599 561.1599@3.084226 + 311.0932@3.0987751 3.0987751 (312.1005, 1239.13) 1 311.0932 311.0932@3.0987751 + 520.168@3.1203816 3.1203816 (521.17365, 1870.9199)(522.1798, 548.6)(543.15686, 827.68) 3 520.168 520.168@3.1203816 + 181.1463@3.2603626 3.2603626 (182.1539, 720.37)(164.14305, 8145.255)(165.1459, 1194.49) 2 181.1463 181.1463@3.2603626 + 460.8582@3.315191 3.315191 (461.8654, 3089.54) 1 460.8582 460.8582@3.315191 + 741.5606@3.714012 3.714012 (742.5679, 694.83)(743.5693, 610.04)(744.5841, 1015.73) 1 741.5606 741.5606@3.714012 + 612.4336@3.7897727 3.7897727 (613.4408, 1348.44)(614.4522, 914.76) 1 612.4336 612.4336@3.7897727 + 72.0323@3.7940016 3.7940016 (73.03975, 1286.28)(90.066055, 29910.555)(91.06745, 954.035) 2 72.0323 72.0323@3.7940016 + 576.4035@3.882344 3.882344 (577.4112, 1666.45)(578.4169, 1020.01)(579.4262, 790.22) 2 576.4035 576.4035@3.882344 + 600.766@3.9590163 3.9590163 (601.77295, 1081.73) 2 600.766 600.766@3.9590163 + 612.4319@4.0269923 4.0269923 (613.4391, 2609.23)(614.4576, 816.74)(615.4473, 533.9) 1 612.4319 612.4319@4.0269923 + 598.9172@4.072836 4.072836 (599.9244, 2339.94)(600.9291, 609.01) 1 598.9172 598.9172@4.072836 + 598.4168@4.0738325 4.0738325 (599.4241, 2942.03)(600.4309, 1537.49) 1 598.4168 598.4168@4.0738325 + 449.2835@4.113071 4.113071 (921.5586, 861.51)(450.2902, 3473.51)(451.2942, 1162.35) 2 449.2835 449.2835@4.113071 + 634.9466@4.196406 4.196406 (635.9539, 1411.11) 1 634.9466 634.9466@4.196406 + 620.9324@4.2432394 4.2432394 (621.9396, 1531.15)(622.9489, 321.51)(623.9517, 376.27) 1 620.9324 620.9324@4.2432394 + 620.4284@4.2432394 4.2432394 (621.4357, 2761.91)(622.4472, 1331.32)(623.451, 1330.4) 1 620.4284 620.4284@4.2432394 + 214.0956@4.280107 4.280107 (215.1029, 4554.0)(216.1064, 1120.71)(217.1053, 1257.64) 1 214.0956 214.0956@4.280107 + 525.8801@4.3129883 4.3129883 (526.8874, 1101.21) 1 525.8801 525.8801@4.3129883 + 232.1424@4.332916 4.332916 (233.1497, 3809.37)(234.1498, 822.46) 1 232.1424 232.1424@4.332916 + 642.9439@4.3996696 4.3996696 (643.9512, 1641.91) 1 642.9439 642.9439@4.3996696 + 642.4443@4.394118 4.394118 (643.4514, 2390.595)(644.4588, 1142.65) 2 642.4443 642.4443@4.394118 + 571.0184@4.4295588 4.4295588 (572.0257, 2760.78) 1 571.0184 571.0184@4.4295588 + 214.0965@4.4753866 4.4753866 (215.1038, 5277.5) 1 214.0965 214.0965@4.4753866 + 664.4567@4.537152 4.537152 (665.464, 2142.39)(666.4707, 1076.85) 1 664.4567 664.4567@4.537152 + 664.9591@4.542133 4.542133 (665.9664, 1413.21)(666.9716, 793.06) 1 664.9591 664.9591@4.542133 + 232.1425@4.560064 4.560064 (233.1497, 4579.48)(234.1468, 589.76) 1 232.1425 232.1425@4.560064 + 323.2454@4.555942 4.555942 (324.2528, 1226.565) 2 323.2454 323.2454@4.555942 + 281.0351@4.5819793 4.5819793 (282.0424, 2049.42) 1 281.0351 281.0351@4.5819793 + 264.0448@4.5819793 4.5819793 (265.0521, 1600.78) 1 264.0448 264.0448@4.5819793 + 686.4705@4.674618 4.674618 (687.4777, 2128.19)(688.4831, 1355.12) 1 686.4705 686.4705@4.674618 + 235.1576@4.713464 4.713464 (236.1649, 4249.44)(237.1666, 900.96) 1 235.1576 235.1576@4.713464 + 708.4827@4.819039 4.819039 (709.4899, 1755.92) 1 708.4827 708.4827@4.819039 + 404.094@5.0560493 5.0560493 (405.1012, 1512.26) 1 404.094 404.094@5.0560493 + 384.3707@5.219651 5.219651 (385.37823, 5673.7)(386.38184, 1932.4299) 2 384.3707 384.3707@5.219651 + 480.0086@5.2840514 5.2840514 (481.0158, 1324.36) 1 480.0086 480.0086@5.2840514 + 993.6498@5.3375916 5.3375916 (994.65857, 1527.34)(995.6603, 1161.325) 2 993.6498 993.6498@5.3375916 + 960.6488@5.406497 5.406497 (961.656, 1869.66)(962.6582, 1269.05) 1 960.6488 960.6488@5.406497 + 837.541@5.4264054 5.4264054 (838.5482, 31835.92)(839.5521, 15190.48) 1 837.541 837.541@5.4264054 + 923.6102@5.4239817 5.4239817 (924.615, 1322.52)(925.63074, 798.615)(926.5979, 1019.8) 2 923.6102 923.6102@5.4239817 + 999.6452@5.4178867 5.4178867 (1000.6558, 683.32495)(1001.65625, 576.03503)(1002.678, 596.09) 2 999.6452 999.6452@5.4178867 + 1147.7487@5.4721937 5.4721937 (1148.7559, 958.29) 1 1147.7487 1147.7487@5.4721937 + 937.6224@5.480157 5.480157 (938.6297, 1065.73) 1 937.6224 937.6224@5.480157 + 837.5467@5.4925013 5.4925013 (1676.1075, 647.46)(838.5565, 14900.143)(839.5601, 7629.309)(860.535, 8722.844)(861.541, 4948.205)(862.546, 14220.246)(863.55054, 6934.66)(864.5579, 7422.75) 7 837.5467 837.5467@5.4925013 + 402.2748@5.4743767 5.4743767 (403.2811, 1364.7) 3 402.2748 402.2748@5.4743767 + 861.5775@5.500064 5.500064 (862.5848, 8163.87)(863.574, 4465.86) 1 861.5775 861.5775@5.500064 + 965.5345@5.535896 5.535896 (966.5418, 1058.69)(967.53, 911.91) 1 965.5345 965.5345@5.535896 + 779.5442@5.544854 5.544854 (780.5515, 186992.25)(781.5548, 87263.92) 1 779.5442 779.5442@5.544854 + 957.5923@5.5755725 5.5755725 (958.59827, 2875.12)(959.603, 1907.04)(960.6058, 1444.81) 2 957.5923 957.5923@5.5755725 + 1041.5684@5.576478 5.576478 (1042.5767, 1408.12)(1043.5823, 879.515)(1044.5966, 1135.84)(1064.5615, 941.22) 2 1041.5684 1041.5684@5.576478 + 1073.5365@5.5952973 5.5952973 (1074.5444, 1642.14)(1075.5483, 1151.0)(1076.557, 935.32) 3 1073.5365 1073.5365@5.5952973 + 912.5477@5.676228 5.676228 (913.555, 1283.09)(914.56, 1180.72)(915.5609, 1032.78) 1 912.5477 912.5477@5.676228 + 378.7433@5.7329535 5.7329535 (379.7505, 1323.77) 1 378.7433 378.7433@5.7329535 + 675.4114@5.7653284 5.7653284 (676.41907, 2969.3374)(677.42255, 1598.9501)(678.4333, 1639.16)(658.4071, 2692.3865)(659.4104, 1646.84)(660.4192, 950.755) 4 675.4114 675.4114@5.7653284 + 844.6477@5.818533 5.818533 (845.6549, 1497.47)(846.6603, 512.61) 1 844.6477 844.6477@5.818533 + 762.4966@5.821518 5.821518 (763.5039, 1096.65) 1 762.4966 762.4966@5.821518 + 848.0376@5.8254986 5.8254986 (849.0449, 1224.43)(850.0542, 1184.97)(851.0586, 1034.37) 1 848.0376 848.0376@5.8254986 + 789.0578@5.8232155 5.8232155 (790.06, 1210.605)(791.0637, 1013.82495) 2 789.0578 789.0578@5.8232155 + 749.8655@5.831469 5.831469 (750.8728, 1233.38) 1 749.8655 749.8655@5.831469 + 898.5396@5.8346767 5.8346767 (899.54, 1211.29)(900.5681, 1157.91) 2 898.5396 898.5396@5.8346767 + 643.4162@5.8354487 5.8354487 (644.4235, 2434.02)(645.4253, 1113.78)(646.417, 629.67) 1 643.4162 643.4162@5.8354487 + 967.5232@5.837948 5.837948 (968.52765, 952.41)(969.53467, 822.2266)(970.5407, 928.27997)(990.5145, 1028.425)(991.5175, 1051.66)(992.5199, 1588.21)(993.5113, 535.07) 3 967.5232 967.5232@5.837948 + 756.0093@5.8382726 5.8382726 (757.017, 1837.045)(758.0195, 547.09) 2 756.0093 756.0093@5.8382726 + 991.5327@5.8404245 5.8404245 (992.54, 1142.18)(993.5461, 711.52)(994.5364, 779.5) 1 991.5327 991.5327@5.8404245 + 1042.2941@5.838402 5.838402 (1043.3008, 1245.35) 3 1042.2941 1042.2941@5.838402 + 680.4448@5.8742557 5.8742557 (681.4521, 2185.01) 1 680.4448 680.4448@5.8742557 + 513.8682@5.878236 5.878236 (514.8755, 2869.87) 1 513.8682 513.8682@5.878236 + 314.1863@5.907091 5.907091 (646.4084, 1741.21)(647.4098, 966.25)(315.1925, 1108.68) 1 314.1863 314.1863@5.907091 + 825.3638@5.908086 5.908086 (826.3711, 1846.67)(827.3762, 801.58) 1 825.3638 825.3638@5.908086 + 909.5207@5.910076 5.910076 (910.528, 2517.3)(911.5315, 909.79) 1 909.5207 909.5207@5.910076 + 561.7886@5.934669 5.934669 (562.7967, 1273.3966) 3 561.7886 561.7886@5.934669 + 817.5815@5.95087 5.95087 (818.5888, 3440.04)(819.59, 769.71) 1 817.5815 817.5815@5.95087 + 929.5054@5.9548497 5.9548497 (930.5127, 2257.77)(931.524, 1437.25)(932.5152, 1373.11) 1 929.5054 929.5054@5.9548497 + 755.437@5.95684 5.95684 (756.4443, 1330.96)(757.4381, 837.35)(758.4372, 2823.18)(759.4438, 1068.63) 1 755.437 755.437@5.95684 + 773.4256@5.9608197 5.9608197 (774.4329, 1121.93)(775.4393, 651.91) 1 773.4256 773.4256@5.9608197 + 761.4896@5.9628096 5.9628096 (762.4967, 1431.25)(763.5111, 818.86)(779.524, 864.31) 1 761.4896 761.4896@5.9628096 + 880.5493@5.91779 5.91779 (881.54767, 1469.2833)(882.54944, 979.815)(883.5845, 815.43)(903.532, 2407.78)(904.5541, 1720.92)(905.5485, 1461.37) 3 880.5493 880.5493@5.91779 + 947.5211@5.9647994 5.9647994 (948.5283, 1687.24)(949.517, 1068.56)(950.5209, 2097.2)(951.5298, 1396.69)(952.5364, 2163.29)(953.5318, 1144.4) 1 947.5211 947.5211@5.9647994 + 886.5147@5.966751 5.966751 (887.5327, 2509.415)(888.548, 2149.58)(889.5525, 1437.03)(869.508, 9016.03)(904.5501, 2028.05)(905.5434, 993.36)(906.5672, 2138.1) 2 886.5147 886.5147@5.966751 + 808.5783@6.0276527 6.0276527 (809.5839, 11825.8)(810.59485, 10674.215)(811.5991, 4727.6)(812.6112, 1511.64) 2 808.5783 808.5783@6.0276527 + 775.4459@5.9667892 5.9667892 (776.4532, 1509.48)(777.4667, 918.45)(778.4397, 1070.96) 1 775.4459 775.4459@5.9667892 + 932.5121@5.967784 5.967784 (933.5194, 1382.18) 1 932.5121 932.5121@5.967784 + 939.5524@5.9697742 5.9697742 (940.562, 1252.68)(962.5389, 1377.82)(963.5227, 677.71)(964.5111, 1019.33) 1 939.5524 939.5524@5.9697742 + 659.4004@5.9747486 5.9747486 (660.4077, 1368.03)(661.4156, 672.02) 1 659.4004 659.4004@5.9747486 + 767.4327@5.976739 5.976739 (768.4399, 6629.32) 1 767.4327 767.4327@5.976739 + 835.4248@5.976739 5.976739 (836.4321, 1057.46)(837.4443, 632.01) 1 835.4248 835.4248@5.976739 + 640.4148@6.0563307 6.0563307 (641.422, 4146.6)(642.4252, 1191.89) 1 640.4148 640.4148@6.0563307 + 725.441@6.111047 6.111047 (726.4482, 2754.63)(727.4385, 1038.92)(728.4564, 1219.06) 1 725.441 725.441@6.111047 + 703.4408@6.1648684 6.1648684 (704.4515, 8168.96)(705.454, 3637.9)(706.4653, 1588.64)(686.4362, 10917.16)(687.44, 4355.99)(726.4331, 4591.04)(727.4355, 1785.0)(728.4417, 1982.94) 2 703.4408 703.4408@6.1648684 + 735.508@6.180682 6.180682 (736.5153, 2227.46)(737.5157, 891.5) 1 735.508 735.508@6.180682 + 870.4783@6.1876454 6.1876454 (871.4856, 2754.09)(872.485, 1301.76)(873.4838, 822.03) 1 870.4783 870.4783@6.1876454 + 741.448@6.1791077 6.1791077 (742.45575, 2028.2233)(743.45233, 950.9733)(759.4806, 1053.12)(764.4338, 1292.22)(765.4399, 635.98)(766.425, 1028.6) 3 741.448 741.448@6.1791077 + 856.4636@6.1916246 6.1916246 (857.4708, 2817.64)(858.4908, 2370.28) 1 856.4636 856.4636@6.1916246 + 858.4259@6.196598 6.196598 (859.4332, 2593.06)(860.4334, 1350.95) 1 858.4259 858.4259@6.196598 + 620.7631@6.235392 6.235392 (621.7704, 2168.12) 1 620.7631 620.7631@6.235392 + 611.4156@6.252098 6.252098 (612.42053, 1207.255)(594.4128, 4078.21)(595.412, 1293.21)(634.4072, 2918.98)(635.4076, 1529.3) 2 611.4156 611.4156@6.252098 + 790.4822@6.3169556 6.3169556 (791.4895, 1314.03) 1 790.4822 790.4822@6.3169556 + 770.4466@6.3249125 6.3249125 (771.4539, 1300.01) 1 770.4466 770.4466@6.3249125 + 782.4396@6.328891 6.328891 (783.4469, 996.24)(784.4421, 555.5) 1 782.4396 782.4396@6.328891 + 174.0399@6.332869 6.332869 (175.0472, 1259.61) 1 174.0399 174.0399@6.332869 + 810.4564@6.35674 6.35674 (811.4637, 619.81)(812.4882, 264.81) 1 810.4564 810.4564@6.35674 + 777.3874@6.3627076 6.3627076 (778.3946, 1454.03)(779.3917, 747.0) 1 777.3874 777.3874@6.3627076 + 772.3911@6.365691 6.365691 (773.3984, 1060.43) 1 772.3911 772.3911@6.365691 + 751.4576@6.454957 6.454957 (752.46497, 2464.75)(753.46936, 1285.075) 2 751.4576 751.4576@6.454957 + 730.486@6.4542065 6.4542065 (731.4933, 1285.16) 1 730.486 730.486@6.4542065 + 875.5854@6.4890137 6.4890137 (876.5926, 2719.09)(877.5991, 943.91) 1 875.5854 875.5854@6.4890137 + 627.3535@6.4910026 6.4910026 (628.3608, 5255.89)(629.3658, 1946.7)(630.374, 30830.68) 1 627.3535 627.3535@6.4910026 + 630.3708@6.4910026 6.4910026 (631.3781, 11394.38)(632.3811, 2735.76)(633.3852, 932.85) 1 630.3708 630.3708@6.4910026 + 359.2429@6.4989586 6.4989586 (719.4912, 2010.07)(360.2521, 1632.64) 1 359.2429 359.2429@6.4989586 + 697.4337@6.5019417 6.5019417 (698.441, 4085.64)(699.4488, 1466.94) 1 697.4337 697.4337@6.5019417 + 723.4329@6.5156584 6.5156584 (724.43933, 4228.2)(725.4435, 1770.8301)(706.4307, 2979.94)(707.4318, 1578.06) 2 723.4329 723.4329@6.5156584 + 701.4127@6.5546474 6.5546474 (702.4262, 1415.35)(684.4089, 6777.26)(685.4125, 2181.71)(686.4152, 997.88) 1 701.4127 701.4127@6.5546474 + 771.4582@6.6361876 6.6361876 (772.4655, 2965.63) 1 771.4582 771.4582@6.6361876 + 765.4281@6.653091 6.653091 (766.4353, 4214.93)(767.4404, 2130.91) 1 765.4281 765.4281@6.653091 + 635.3809@6.666017 6.666017 (636.3878, 20361.48)(658.3705, 8149.75)(659.3746, 2676.64)(660.3859, 7170.41) 1 635.3809 635.3809@6.666017 + 565.4074@6.670989 6.670989 (566.415, 4012.05)(567.4191, 1368.44)(588.3962, 1779.41) 1 565.4074 565.4074@6.670989 + 608.4589@6.6849093 6.6849093 (609.4662, 3131.03) 1 608.4589 608.4589@6.6849093 + 956.5087@6.7107606 6.7107606 (957.516, 1182.49)(958.5275, 794.3) 1 956.5087 956.5087@6.7107606 + 819.4901@6.7589736 6.7589736 (820.49774, 3683.0598)(821.50494, 2391.705)(822.5176, 3153.09)(802.4804, 2592.25)(803.4802, 1631.85) 3 819.4901 819.4901@6.7589736 + 929.5452@6.679331 6.679331 (930.5428, 1178.71)(931.5481, 483.14)(932.5744, 1690.51) 2 929.5452 929.5452@6.679331 + 882.6111@6.7286577 6.7286577 (883.6184, 1435.99)(884.6179, 1344.4) 1 882.6111 882.6111@6.7286577 + 864.0358@6.7346234 6.7346234 (865.043, 1622.47)(866.0402, 1075.23) 1 864.0358 864.0358@6.7346234 + 1166.7072@6.7393465 6.7393465 (1167.7158, 2119.935)(1168.72, 1799.135)(1169.7308, 3457.85)(1170.7322, 2058.88)(1171.7285, 767.0) 2 1166.7072 1166.7072@6.7393465 + 861.0188@6.7415833 6.7415833 (862.0235, 939.77)(879.0535, 2573.93)(880.0476, 1175.65) 1 861.0188 861.0188@6.7415833 + 814.528@6.7399583 6.7399583 (815.5393, 2274.8)(816.5259, 997.67)(837.5156, 2284.05)(838.5142, 1046.19) 3 814.528 814.528@6.7399583 + 509.3108@6.7435718 6.7435718 (510.3181, 3975.8)(511.3231, 1759.69) 1 509.3108 509.3108@6.7435718 + 1112.6963@6.744566 6.744566 (1113.7036, 3542.56)(1114.7053, 2398.27)(1115.6974, 1277.68) 1 1112.6963 1112.6963@6.744566 + 1156.7087@6.744566 6.744566 (1157.716, 1282.01)(1158.6893, 898.12)(1159.717, 907.76) 1 1156.7087 1156.7087@6.744566 + 1110.6897@6.7551847 6.7551847 (1111.6952, 2570.8967)(1112.7036, 2286.1702)(1113.7104, 1944.5) 3 1110.6897 1110.6897@6.7551847 + 850.0269@6.743593 6.743593 (851.0283, 1965.255)(852.0193, 1407.25) 4 850.0269 850.0269@6.743593 + 569.2971@6.760474 6.760474 (570.3043, 2669.08)(571.308, 963.9) 1 569.2971 569.2971@6.760474 + 835.0019@6.760474 6.760474 (836.0092, 1807.47) 1 835.0019 835.0019@6.760474 + 800.019@6.7634563 6.7634563 (801.0262, 2819.06)(802.0335, 930.62) 1 800.019 800.019@6.7634563 + 842.0145@6.763263 6.763263 (843.0252, 3300.7297)(844.026, 2467.095)(845.0202, 1244.93) 3 842.0145 842.0145@6.763263 + 632.3822@6.766439 6.766439 (633.3895, 3346.01)(634.3861, 1925.64)(635.4021, 859.37) 1 632.3822 632.3822@6.766439 + 554.3411@6.772815 6.772815 (555.3484, 8293.93)(556.35645, 3479.8398)(557.3561, 1013.31) 2 554.3411 554.3411@6.772815 + 1162.6761@6.7823467 6.7823467 (1163.6833, 536.89)(1164.6827, 908.3)(1165.6888, 974.9)(1166.69, 0.0) 1 1162.6761 1162.6761@6.7823467 + 687.3605@6.786324 6.786324 (688.3678, 3240.89)(689.3621, 1493.74)(690.3626, 2050.96)(691.3644, 358.91) 1 687.3605 687.3605@6.786324 + 827.4905@6.7942777 6.7942777 (828.4977, 3639.3)(829.5073, 2272.4) 1 827.4905 827.4905@6.7942777 + 778.996@6.79726 6.79726 (779.9999, 4698.84)(801.9892, 5834.01) 1 778.996 778.996@6.79726 + 681.4216@6.8151054 6.8151054 (682.4289, 8516.82)(683.4321, 3849.94) 2 681.4216 681.4216@6.8151054 + 492.4771@6.8255506 6.8255506 (493.4855, 8381.1) 2 492.4771 492.4771@6.8255506 + 709.4479@6.8380213 6.8380213 (710.4551, 5554.45)(711.4599, 2315.39)(712.4475, 1701.86) 1 709.4479 709.4479@6.8380213 + 577.2598@6.8426113 6.8426113 (578.26483, 1773.8799) 2 577.2598 577.2598@6.8426113 + 751.4597@6.84001 6.84001 (752.467, 4884.74)(753.473, 1097.41)(754.4726, 2503.81)(755.4905, 600.53) 1 751.4597 751.4597@6.84001 + 808.4876@6.8429923 6.8429923 (809.4949, 1633.1) 1 808.4876 808.4876@6.8429923 + 701.3926@6.787838 6.787838 (702.4016, 2097.0552)(703.41406, 937.87) 2 701.3926 701.3926@6.787838 + 581.3096@6.85952 6.85952 (582.31744, 5209.205)(583.32074, 1964.405) 4 581.3096 581.3096@6.85952 + 639.3738@6.85691 6.85691 (640.3811, 1824.27)(641.385, 542.43) 1 639.3738 639.3738@6.85691 + 557.3103@6.945778 6.945778 (558.3174, 4657.5166)(559.3212, 1756.4233) 3 557.3103 557.3103@6.945778 + 553.3374@6.8668523 6.8668523 (554.3447, 107255.08)(555.3483, 29284.69)(556.3546, 7818.03) 1 553.3374 553.3374@6.8668523 + 537.3421@6.9032955 6.9032955 (538.34906, 15608.65)(539.35486, 4336.165)(560.3337, 19986.22)(561.3373, 7045.41) 2 537.3421 537.3421@6.9032955 + 664.4425@6.9473743 6.9473743 (665.4498, 2601.28) 1 664.4425 664.4425@6.9473743 + 234.1924@6.9582114 6.9582114 (235.1995, 3961.9578)(236.2057, 835.93) 5 234.1924 234.1924@6.9582114 + 581.2977@6.9716325 6.9716325 (582.306, 6285.65)(583.3103, 2013.085)(564.2928, 2116.05)(565.2963, 1156.23) 2 581.2977 581.2977@6.9716325 + 584.3181@6.939029 6.939029 (585.3298, 4728.2734)(586.3352, 2176.28) 3 584.3181 584.3181@6.939029 + 719.4825@7.0656624 7.0656624 (720.4898, 1801.73)(721.4945, 1089.74) 1 719.4825 719.4825@7.0656624 + 547.2908@7.084733 7.084733 (548.2981, 2870.07)(549.3036, 826.32) 2 547.2908 547.2908@7.084733 + 705.3869@7.096475 7.096475 (706.3943, 962.37)(688.3835, 1670.38) 1 705.3869 705.3869@7.096475 + 799.4546@7.1630664 7.1630664 (800.4619, 1082.14)(801.4694, 766.5)(802.446, 1309.04)(803.4495, 529.53) 1 799.4546 799.4546@7.1630664 + 827.4521@7.16406 7.16406 (828.4593, 812.8)(829.4778, 555.57)(830.473, 719.2) 1 827.4521 827.4521@7.16406 + 569.3309@7.166048 7.166048 (570.3382, 3767.29)(571.3414, 1572.34)(572.3524, 1239.16) 1 569.3309 569.3309@7.166048 + 780.4565@7.173005 7.173005 (781.4638, 1128.42)(782.4543, 479.03) 1 780.4565 780.4565@7.173005 + 406.1269@7.173005 7.173005 (407.1341, 967.27) 1 406.1269 406.1269@7.173005 + 555.3514@7.223691 7.223691 (556.3587, 1507.4)(557.3583, 729.2) 1 555.3514 555.3514@7.223691 + 535.2912@7.239592 7.239592 (536.2984, 1661.81)(537.3004, 683.77) 1 535.2912 535.2912@7.239592 + 723.3994@7.239592 7.239592 (724.4067, 2396.07)(725.4067, 1050.44) 1 723.3994 723.3994@7.239592 + 571.2883@7.2921863 7.2921863 (572.29584, 1735.0527)(573.29944, 960.235)(589.32385, 1139.025) 7 571.2883 571.2883@7.2921863 + 691.4071@7.369773 7.369773 (692.4144, 1782.9)(693.4165, 848.77) 1 691.4071 691.4071@7.369773 + 617.3313@7.4694514 7.4694514 (618.33923, 3619.92)(619.3427, 1515.525) 2 617.3313 617.3313@7.4694514 + 569.3321@7.5257707 7.5257707 (570.3394, 7074.08)(571.3432, 1241.69)(572.3492, 861.53) 1 569.3321 569.3321@7.5257707 + 623.3407@7.716514 7.716514 (624.348, 1450.14) 1 623.3407 623.3407@7.716514 + 677.4029@7.779094 7.779094 (678.4102, 2013.66)(679.4141, 1057.15)(680.4246, 1132.47) 1 677.4029 677.4029@7.779094 + 388.7441@7.8019404 7.8019404 (389.7514, 1722.48) 1 388.7441 388.7441@7.8019404 + 692.4377@7.8658404 7.8658404 (693.4452, 2512.0327)(694.44666, 1175.1576)(695.4475, 823.48) 4 692.4377 692.4377@7.8658404 + 337.2135@7.863921 7.863921 (338.22055, 1971.645) 2 337.2135 337.2135@7.863921 + 413.1818@7.8736963 7.8736963 (414.18823, 4366.13)(415.19238, 1082.8)(436.17242, 1433.835) 2 413.1818 413.1818@7.8736963 + 601.321@7.891333 7.891333 (602.3283, 1472.37) 1 601.321 601.321@7.891333 + 304.1899@7.9757524 7.9757524 (609.3868, 4407.58)(610.3883, 1545.64)(305.1976, 1892.26) 1 304.1899 304.1899@7.9757524 + 354.2351@8.005546 8.005546 (709.4777, 820.86)(355.2424, 2032.14) 1 354.2351 354.2351@8.005546 + 497.2017@8.422379 8.422379 (498.20886, 2847.46)(499.2108, 1058.05) 2 497.2017 497.2017@8.422379 + 397.1498@8.425547 8.425547 (398.1571, 1097.99) 1 397.1498 397.1498@8.425547 + 342.2053@9.326547 9.326547 (343.2126, 1472.54) 1 342.2053 342.2053@9.326547 + 835.0275@0.8447683 0.8447683 (836.03516, 2422.475)(837.0364, 1330.605)(838.0346, 929.9) 2 835.0275 835.0275@0.8447683 + 629.9871@0.8454866 0.8454866 (630.9942, 3912.01)(631.99634, 1363.86)(632.9955, 1020.1099)(648.021, 622.57) 3 629.9871 629.9871@0.8454866 + 1252.2284@0.8458318 0.8458318 (1253.2357, 2293.55)(1254.2336, 1284.09)(1255.231, 867.8) 1 1252.2284 1252.2284@0.8458318 + 511.9772@0.845768 0.845768 (512.984, 3101.25)(513.98676, 1214.785) 2 511.9772 511.9772@0.845768 + 289.9836@0.89441985 0.89441985 (290.9909, 11653.807)(291.99423, 1384.4319)(292.9871, 874.9683)(312.9718, 800.82) 10 289.9836 289.9836@0.89441985 + 1130.2894@1.009781 1.009781 (1131.2968, 1949.72)(1132.2935, 2501.59)(1133.2922, 1553.45) 1 1130.2894 1130.2894@1.009781 + 1371.371@1.0227379 1.0227379 (1372.3776, 1260.07)(1373.379, 877.22) 3 1371.371 1371.371@1.0227379 + 506.0959@1.0277752 1.0277752 (507.1031, 2225.4) 1 506.0959 506.0959@1.0277752 + 650.3093@1.0429548 1.0429548 (651.3172, 2130.825) 6 650.3093 650.3093@1.0429548 + 326.2441@1.0687615 1.0687615 (327.249, 1933.78)(309.2408, 6333.51)(310.2395, 2812.47)(344.2788, 5117.34)(345.2826, 1850.6) 1 326.2441 326.2441@1.0687615 + 266.1461@1.0697612 1.0697612 (267.1533, 3895.0)(268.1569, 1277.37) 1 266.1461 266.1461@1.0697612 + 1516.4103@1.0706304 1.0706304 (1517.4174, 1761.2125)(1518.418, 1957.5225)(1519.4143, 1601.2175)(1520.415, 1207.47)(1521.4133, 266.79) 4 1516.4103 1516.4103@1.0706304 + 692.5252@1.0717604 1.0717604 (693.5347, 1151.71)(710.5577, 1553.99)(711.557, 1187.58)(715.5143, 1849.22) 1 692.5252 692.5252@1.0717604 + 549.4446@1.0717604 1.0717604 (550.4518, 2293.49) 1 549.4446 549.4446@1.0717604 + 430.3145@1.07276 1.07276 (431.3218, 4566.16) 1 430.3145 430.3145@1.07276 + 416.2564@1.0741653 1.0741653 (417.2637, 10187.965)(418.2732, 6056.11)(399.2495, 2999.4)(434.29, 10200.68)(435.2989, 4047.645)(436.29706, 3798.7)(439.24814, 3802.7952) 2 416.2564 416.2564@1.0741653 + 586.3849@1.0766639 1.0766639 (587.3921, 3307.875) 2 586.3849 586.3849@1.0766639 + 762.4992@1.0797577 1.0797577 (763.5065, 1203.31)(764.5167, 1170.92) 1 762.4992 762.4992@1.0797577 + 325.1908@1.1080587 1.1080587 (326.198, 2439.175)(343.2246, 3874.9) 2 325.1908 325.1908@1.1080587 + 571.426@1.0776644 1.0776644 (572.4302, 4704.81)(573.44885, 2702.12)(589.4584, 5681.78)(590.4718, 4603.62)(591.4573, 3999.03) 2 571.426 571.426@1.0776644 + 254.1878@1.084756 1.084756 (509.3859, 3171.2)(255.1958, 3412.87)(237.1839, 4841.83)(238.1872, 871.9)(272.22, 1593.25) 1 254.1878 254.1878@1.084756 + 305.2436@1.0857556 1.0857556 (611.4931, 2616.57)(306.2526, 1902.48) 1 305.2436 305.2436@1.0857556 + 364.3092@1.079151 1.079151 (365.31128, 2421.66)(366.3176, 1405.09)(382.3346, 1427.49) 3 364.3092 364.3092@1.079151 + 432.1564@1.0897543 1.0897543 (433.1637, 1293.06)(434.1811, 880.09) 1 432.1564 432.1564@1.0897543 + 509.2964@1.0957521 1.0957521 (510.3037, 1516.79) 1 509.2964 509.2964@1.0957521 + 629.4204@1.0947665 1.0947665 (630.43054, 2770.065)(631.42773, 1476.45) 2 629.4204 629.4204@1.0947665 + 624.4747@1.1134 1.1134 (625.47705, 2438.365) 2 624.4747 624.4747@1.1134 + 574.1083@1.1057487 1.1057487 (575.1156, 1074.24)(576.1209, 775.58) 1 574.1083 574.1083@1.1057487 + 378.2746@1.1068882 1.1068882 (379.279, 4562.579)(380.283, 2878.44)(396.30975, 2851.42) 10 378.2746 378.2746@1.1068882 + 323.2527@1.1076983 1.1076983 (324.25882, 1972.0166) 3 323.2527 323.2527@1.1076983 + 653.5386@1.1695734 1.1695734 (654.5449, 2015.2349)(655.5401, 1124.5801) 2 653.5386 653.5386@1.1695734 + 664.4648@1.1236746 1.1236746 (665.47107, 1693.27)(666.48145, 1206.1699) 2 664.4648 664.4648@1.1236746 + 214.1218@1.167939 1.167939 (215.1284, 5388.61)(216.12744, 1218.82)(232.1564, 3823.89)(237.1115, 2420.64) 2 214.1218 214.1218@1.167939 + 685.4433@1.1247422 1.1247422 (686.4506, 1659.55)(687.4625, 1378.28)(688.4651, 4850.36)(689.4712, 2250.87) 1 685.4433 685.4433@1.1247422 + 269.1694@1.1252685 1.1252685 (270.17743, 12445.085)(271.17944, 3905.665)(272.1854, 6201.84)(287.2014, 2942.37)(288.2123, 1084.4) 2 269.1694 269.1694@1.1252685 + 325.1905@1.130931 1.130931 (326.19922, 3826.8052) 2 325.1905 325.1905@1.130931 + 506.397@1.0996709 1.0996709 (507.40454, 2694.06)(508.4071, 1634.69)(529.387, 3685.92) 2 506.397 506.397@1.0996709 + 694.43@1.1297404 1.1297404 (695.4373, 1594.94) 1 694.43 694.43@1.1297404 + 378.2032@1.1297404 1.1297404 (379.2105, 2260.44) 1 378.2032 378.2032@1.1297404 + 254.1885@1.1297404 1.1297404 (509.3818, 3007.19)(526.4125, 3102.43)(255.1941, 2642.58)(237.1836, 3574.26)(238.1859, 1014.26)(277.1794, 9770.54)(278.1809, 2849.01) 1 254.1885 254.1885@1.1297404 + 424.2413@1.1383946 1.1383946 (425.24484, 3209.84)(407.2393, 5786.18) 2 424.2413 424.2413@1.1383946 + 182.0939@1.1343545 1.1343545 (365.1936, 11733.49)(366.2009, 3714.505)(183.10187, 6739.7563)(184.10464, 868.31006) 3 182.0939 182.0939@1.1343545 + 147.1165@1.1447351 1.1447351 (148.1238, 3617.3) 1 147.1165 147.1165@1.1447351 + 298.1418@1.2086244 1.2086244 (299.1492, 4322.425)(300.1539, 1703.21)(281.1383, 42326.2)(282.1423, 7826.74)(316.176, 3233.96)(321.1308, 1453.33) 2 298.1418 298.1418@1.2086244 + 389.1988@1.1396351 1.1396351 (779.4006, 1477.09)(390.21027, 3476.585) 2 389.1988 389.1988@1.1396351 + 266.1517@1.1566589 1.1566589 (533.3095, 1016.02)(267.15985, 10548.045)(268.1617, 2730.8)(249.148, 3473.39)(250.146, 1287.53)(289.1405, 1411.96) 2 266.1517 266.1517@1.1566589 + 347.2969@1.1608549 1.1608549 (348.3065, 5976.06)(349.3075, 1802.2067) 3 347.2969 347.2969@1.1608549 + 545.3518@1.1597297 1.1597297 (546.3609, 2764.99)(547.3626, 1525.86)(548.346, 1395.09)(528.3461, 1710.97) 1 545.3518 545.3518@1.1597297 + 391.3022@1.161729 1.161729 (392.3094, 6782.37) 1 391.3022 391.3022@1.161729 + 384.3381@1.1637414 1.1637414 (385.34503, 4328.31)(367.33405, 6930.65) 2 384.3381 384.3381@1.1637414 + 138.0685@1.1705518 1.1705518 (139.0757, 2636.2266)(156.1037, 2363.23) 3 138.0685 138.0685@1.1705518 + 378.2014@1.1697261 1.1697261 (379.2087, 2021.43) 1 378.2014 378.2014@1.1697261 + 364.2218@1.1711516 1.1711516 (365.2272, 5939.52) 2 364.2218 364.2218@1.1711516 + 336.3932@1.1897191 1.1897191 (337.4004, 1314.63) 1 336.3932 336.3932@1.1897191 + 612.4766@1.1926047 1.1926047 (613.4835, 1981.335)(614.4852, 1213.65)(615.4853, 990.67) 2 612.4766 612.4766@1.1926047 + 348.2495@1.197716 1.197716 (349.2568, 4179.81) 1 348.2495 348.2495@1.197716 + 541.3102@1.2190051 1.2190051 (542.31805, 2120.9202)(543.3365, 1293.9) 3 541.3102 541.3102@1.2190051 + 323.1924@1.2177088 1.2177088 (324.1997, 4534.3) 1 323.1924 323.1924@1.2177088 + 292.1299@1.2267054 1.2267054 (293.1372, 4770.71) 1 292.1299 292.1299@1.2267054 + 308.1983@1.2287047 1.2287047 (309.2055, 16295.89) 1 308.1983 308.1983@1.2287047 + 191.0988@1.2003967 1.2003967 (383.2051, 13116.34)(384.2068, 2108.74)(192.1038, 10565.76) 2 191.0988 191.0988@1.2003967 + 238.0737@1.2377014 1.2377014 (239.081, 6551.01) 1 238.0737 238.0737@1.2377014 + 274.156@1.1846797 1.1846797 (275.16357, 3000.04)(292.1948, 1528.44) 2 274.156 274.156@1.1846797 + 479.314@1.2456985 1.2456985 (480.3213, 2898.64)(481.3226, 1767.71) 1 479.314 479.314@1.2456985 + 315.1719@1.2296466 1.2296466 (316.17743, 3729.9)(317.1755, 1856.55)(333.205, 3842.06) 2 315.1719 315.1719@1.2296466 + 424.2447@1.2506113 1.2506113 (425.24957, 7051.66)(426.2529, 5284.99)(447.2317, 2886.54) 2 424.2447 424.2447@1.2506113 + 368.2542@1.2840438 1.2840438 (369.26318, 5551.297)(351.2516, 11256.46)(352.2429, 6200.13) 3 368.2542 368.2542@1.2840438 + 509.3352@1.2516961 1.2516961 (510.3425, 2105.12)(511.3515, 1077.25) 1 509.3352 509.3352@1.2516961 + 82.0422@1.2516961 1.2516961 (165.0917, 6270.18)(187.0748, 910.34)(83.0494, 1129.81) 1 82.0422 82.0422@1.2516961 + 408.1402@1.2526958 1.2526958 (409.1473, 894.36)(391.1399, 1437.62)(426.1721, 3248.27)(427.1762, 2240.81) 1 408.1402 408.1402@1.2526958 + 457.2316@1.2277174 1.2277174 (458.23883, 6467.605)(459.24554, 2337.325) 2 457.2316 457.2316@1.2277174 + 770.5488@1.254695 1.254695 (771.5561, 1610.65)(772.563, 1194.27) 1 770.5488 770.5488@1.254695 + 324.1151@1.2556947 1.2556947 (325.1224, 2831.95) 1 324.1151 324.1151@1.2556947 + 495.3151@1.2556947 1.2556947 (496.3224, 2419.42)(497.3247, 1070.76) 1 495.3151 495.3151@1.2556947 + 593.3838@1.2566943 1.2566943 (594.3911, 1422.52) 1 593.3838 593.3838@1.2566943 + 398.1076@1.2566943 1.2566943 (399.1149, 2037.88)(400.1277, 875.04) 1 398.1076 398.1076@1.2566943 + 299.172@1.257694 1.257694 (300.1793, 5841.28) 1 299.172 299.172@1.257694 + 166.0996@1.2646914 1.2646914 (167.1067, 17869.28)(168.1155, 2505.68)(184.1344, 3395.91) 1 166.0996 166.0996@1.2646914 + 284.082@1.3236688 1.3236688 (285.0892, 1971.88) 1 284.082 284.082@1.3236688 + 479.289@1.3292873 1.3292873 (480.296, 2897.9558)(481.3092, 1369.255) 5 479.289 479.289@1.3292873 + 346.2138@1.3815963 1.3815963 (347.22012, 6577.526)(348.22238, 2375.52) 5 346.2138 346.2138@1.3815963 + 687.007@1.4206306 1.4206306 (688.0143, 1067.29) 1 687.007 687.007@1.4206306 + 238.1188@1.4686111 1.4686111 (239.1261, 11744.31)(240.1251, 1577.24) 1 238.1188 238.1188@1.4686111 + 173.045@1.5335841 1.5335841 (174.0523, 3482.53)(175.0554, 1016.12) 1 173.045 173.045@1.5335841 + 635.9733@1.5325752 1.5325752 (636.98047, 2456.4465)(637.9812, 831.74) 3 635.9733 635.9733@1.5325752 + 702.1991@1.554388 1.554388 (703.20447, 1858.275)(704.20844, 1035.755) 2 702.1991 702.1991@1.554388 + 479.2706@1.5483576 1.5483576 (480.2784, 5463.2905)(481.28262, 1533.6901)(482.28226, 891.49) 3 479.2706 479.2706@1.5483576 + 598.2199@1.5635715 1.5635715 (599.2272, 1534.88) 1 598.2199 598.2199@1.5635715 + 399.1714@1.5631576 1.5631576 (400.1787, 4789.6167)(401.1819, 1103.5) 3 399.1714 399.1714@1.5631576 + 404.1256@1.5644902 1.5644902 (405.1338, 3950.6301)(406.1354, 1239.925) 3 404.1256 404.1256@1.5644902 + 307.1382@1.5735673 1.5735673 (308.1455, 2524.96)(309.139, 580.62) 1 307.1382 307.1382@1.5735673 + 1001.5994@1.5897943 1.5897943 (1002.6047, 1272.9933)(1003.61, 910.95)(1004.60767, 568.82)(1024.5908, 1561.106)(1025.5952, 1005.0325) 6 1001.5994 1001.5994@1.5897943 + 57.0212@1.5815638 1.5815638 (58.0285, 1373.86) 1 57.0212 57.0212@1.5815638 + 502.0463@1.6278397 1.6278397 (503.05325, 4683.49)(504.0632, 1241.555)(520.0784, 600.05)(525.0353, 2130.3901) 2 502.0463 502.0463@1.6278397 + 280.1426@1.6305428 1.6305428 (281.1499, 3847.34) 1 280.1426 280.1426@1.6305428 + 433.2674@1.6514931 1.6514931 (434.27475, 2089.2466)(435.2777, 948.405) 3 433.2674 433.2674@1.6514931 + 457.1154@1.6484388 1.6484388 (458.1223, 2302.8298)(459.1251, 656.95)(480.10437, 6988.347)(481.10403, 2200.9568) 3 457.1154 457.1154@1.6484388 + 501.0792@1.6504377 1.6504377 (502.08664, 8606.854)(503.08652, 2473.03)(504.0834, 697.65) 3 501.0792 501.0792@1.6504377 + 300.0078@1.6865183 1.6865183 (301.0151, 1360.47) 1 300.0078 300.0078@1.6865183 + 248.0707@1.7245015 1.7245015 (249.0779, 2125.13) 1 248.0707 248.0707@1.7245015 + 88.0876@1.7294992 1.7294992 (89.0949, 1419.39) 1 88.0876 88.0876@1.7294992 + 206.0308@1.8354511 1.8354511 (207.038, 3321.93) 1 206.0308 206.0308@1.8354511 + 312.988@1.8614392 1.8614392 (313.9953, 4203.24)(314.9968, 1283.01) 1 312.988 312.988@1.8614392 + 671.9834@1.8654374 1.8654374 (672.9907, 1536.61) 1 671.9834 671.9834@1.8654374 + 349.1752@2.1617951 2.1617951 (350.1811, 5119.46)(351.17865, 1557.985)(372.16687, 5415.465)(373.17242, 1401.71) 2 349.1752 349.1752@2.1617951 + 146.0701@2.172291 2.172291 (147.0773, 4154.67) 1 146.0701 146.0701@2.172291 + 327.0812@2.186284 2.186284 (328.0884, 1688.16) 1 327.0812 327.0812@2.186284 + 717.5377@2.2426076 2.2426076 (718.54443, 1941.7799)(719.54877, 1012.9567)(720.5558, 945.16003) 3 717.5377 717.5377@2.2426076 + 225.1364@2.6138546 2.6138546 (226.1435, 7943.99)(227.14685, 1370.5) 2 225.1364 225.1364@2.6138546 + 735.5116@2.755433 2.755433 (736.51825, 3360.3435)(737.5219, 1538.6832) 3 735.5116 735.5116@2.755433 + 96.0213@2.7734106 2.7734106 (97.02856, 26137.967)(98.02991, 2056.2566)(99.0258, 1121.715) 6 96.0213 96.0213@2.7734106 + 247.0557@2.8502183 2.8502183 (248.06375, 1438.992)(270.0438, 886.0) 5 247.0557 247.0557@2.8502183 + 408.1054@2.7916017 2.7916017 (409.11206, 8861.238)(410.11517, 1656.49)(411.1212, 1267.5)(391.1019, 77772.33)(392.1055, 10917.02) 5 408.1054 408.1054@2.7916017 + 198.0933@2.8529131 2.8529131 (199.10071, 67251.81)(200.10196, 14683.02) 2 198.0933 198.0933@2.8529131 + 284.0606@2.8777218 2.8777218 (285.0689, 1976.78) 2 284.0606 284.0606@2.8777218 + 673.1348@2.9928737 2.9928737 (674.142, 980.02) 1 673.1348 673.1348@2.9928737 + 311.1121@3.087825 3.087825 (312.1194, 4376.48)(313.1324, 1689.15) 1 311.1121 311.1121@3.087825 + 275.091@3.0888245 3.0888245 (276.0982, 2906.97) 1 275.091 275.091@3.0888245 + 536.1613@3.0887527 3.0887527 (537.1686, 23628.049)(538.1708, 6269.815)(539.1729, 2270.18) 2 536.1613 536.1613@3.0887527 + 223.0215@3.095821 3.095821 (224.0288, 4356.48) 1 223.0215 223.0215@3.095821 + 402.08@3.1019807 3.1019807 (403.0873, 4360.355)(404.09113, 1152.265)(405.0942, 621.01)(425.0682, 817.25) 2 402.08 402.08@3.1019807 + 493.0717@3.130461 3.130461 (494.07886, 4206.0024) 4 493.0717 493.0717@3.130461 + 76.0313@3.1410377 3.1410377 (77.0386, 26985.135)(78.04197, 1641.0033) 3 76.0313 76.0313@3.1410377 + 161.0479@3.1423702 3.1423702 (162.05524, 10773.627)(163.05725, 727.97) 3 161.0479 161.0479@3.1423702 + 334.0025@3.1439295 3.1439295 (335.00925, 2905.1802)(336.0123, 926.96) 2 334.0025 334.0025@3.1439295 + 319.9859@3.1460316 3.1460316 (320.99313, 2842.673)(321.9955, 428.89)(342.97495, 1230.2533) 3 319.9859 319.9859@3.1460316 + 329.0221@3.1405253 3.1405253 (330.0294, 1624.74)(331.0314, 609.19) 2 329.0221 329.0221@3.1405253 + 467.0647@3.144369 3.144369 (468.07187, 1999.6299)(469.07565, 729.75665) 3 467.0647 467.0647@3.144369 + 315.007@3.150364 3.150364 (316.01428, 6584.803)(317.01706, 1782.6768) 3 315.007 315.007@3.150364 + 225.1367@3.1667848 3.1667848 (226.1439, 10469.41)(227.1466, 1975.35)(208.1349, 811.0) 1 225.1367 225.1367@3.1667848 + 402.0799@3.1909726 3.1909726 (403.0873, 6004.69)(404.09085, 1469.79) 3 402.0799 402.0799@3.1909726 + 223.0216@3.2096117 3.2096117 (224.02917, 5017.6934)(225.0324, 809.375) 3 223.0216 223.0216@3.2096117 + 905.6519@3.6045678 3.6045678 (906.6592, 1306.01)(907.6636, 819.03) 1 905.6519 905.6519@3.6045678 + 253.0772@3.6163747 3.6163747 (529.143, 1359.03)(254.08447, 45778.137)(255.08797, 7002.133)(256.0837, 2750.5833)(257.0878, 347.92)(276.0664, 7009.724)(277.0713, 1540.8301) 3 253.0772 253.0772@3.6163747 + 297.0413@3.6210346 3.6210346 (298.04898, 3049.14)(299.05206, 1353.2649) 3 297.0413 297.0413@3.6210346 + 848.1073@3.6448336 3.6448336 (849.11414, 1563.585) 2 848.1073 848.1073@3.6448336 + 725.0153@3.7554965 3.7554965 (726.0226, 2951.03) 1 725.0153 725.0153@3.7554965 + 869.6186@3.7774448 3.7774448 (870.62555, 1960.31)(871.62964, 1058.1066) 3 869.6186 869.6186@3.7774448 + 841.0987@3.7834835 3.7834835 (842.1059, 2336.48)(843.1094, 570.17) 1 841.0987 841.0987@3.7834835 + 870.6225@3.81247 3.81247 (871.6298, 1164.67) 1 870.6225 870.6225@3.81247 + 682.4924@3.8328276 3.8328276 (683.49927, 2110.145)(684.5065, 915.0) 2 682.4924 682.4924@3.8328276 + 781.0594@3.8694444 3.8694444 (782.0667, 2364.31) 1 781.0594 781.0594@3.8694444 + 271.0456@3.8814387 3.8814387 (272.0529, 1306.54) 1 271.0456 271.0456@3.8814387 + 781.0608@3.914424 3.914424 (782.0681, 1543.21) 1 781.0608 781.0608@3.914424 + 747.0293@3.9174225 3.9174225 (748.0365, 2185.52)(749.0381, 576.56) 1 747.0293 747.0293@3.9174225 + 718.0075@3.9208539 3.9208539 (719.01434, 1417.1699) 2 718.0075 718.0075@3.9208539 + 805.0713@3.9376333 3.9376333 (806.07684, 1737.0599) 2 805.0713 805.0713@3.9376333 + 833.5921@3.9315813 3.9315813 (834.599, 2691.795)(835.60205, 1278.19) 2 833.5921 833.5921@3.9315813 + 746.5273@3.921421 3.921421 (747.5346, 2436.29)(748.5382, 1168.51) 1 746.5273 746.5273@3.921421 + 619.4442@3.9244196 3.9244196 (620.4515, 3661.55)(621.4552, 1492.19) 1 619.4442 619.4442@3.9244196 + 863.1119@3.9264185 3.9264185 (864.1192, 2745.25)(865.1207, 572.24) 1 863.1119 863.1119@3.9264185 + 638.7914@3.9314165 3.9314165 (639.7986, 2612.01)(640.7998, 871.13) 1 638.7914 638.7914@3.9314165 + 696.8342@3.9521008 3.9521008 (697.84125, 1602.24)(698.8419, 1046.685) 2 696.8342 696.8342@3.9521008 + 920.6578@3.950408 3.950408 (921.6684, 1380.01)(943.6416, 962.29) 1 920.6578 920.6578@3.950408 + 537.7187@4.0593605 4.0593605 (538.726, 1204.79) 1 537.7187 537.7187@4.0593605 + 942.6636@4.0593605 4.0593605 (943.6709, 1244.58)(944.6723, 1009.62) 1 942.6636 942.6636@4.0593605 + 629.7816@4.186266 4.186266 (630.7894, 1568.6951) 2 629.7816 629.7816@4.186266 + 991.7375@4.2122974 4.2122974 (992.7447, 1044.92)(993.7484, 1142.78) 1 991.7375 991.7375@4.2122974 + 411.3344@4.280527 4.280527 (412.34094, 1766.2324)(413.3429, 821.67) 4 411.3344 411.3344@4.280527 + 682.8188@4.312258 4.312258 (683.8261, 1693.56)(684.827, 685.42) 1 682.8188 682.8188@4.312258 + 568.15@4.379424 4.379424 (569.1572, 2475.145)(570.1632, 1027.69) 2 568.15 568.15@4.379424 + 455.0909@4.3887177 4.3887177 (456.0983, 6019.1797)(457.10117, 1429.21) 3 455.0909 455.0909@4.3887177 + 775.1412@4.3907146 4.3907146 (776.149, 2053.2634)(777.154, 777.53503) 3 775.1412 775.1412@4.3907146 + 560.4038@4.390875 4.390875 (561.4104, 1346.015) 2 560.4038 560.4038@4.390875 + 320.0505@4.4159966 4.4159966 (641.1102, 1508.305)(642.1117, 754.33)(663.0904, 4788.1865)(664.09454, 1601.1998)(321.05786, 2431.9167)(322.0615, 834.59)(343.03976, 25862.205)(344.04297, 3816.14)(345.04535, 894.94) 3 320.0505 320.0505@4.4159966 + 482.9592@4.402223 4.402223 (483.9664, 1856.61)(484.9685, 819.6) 1 482.9592 482.9592@4.402223 + 831.5947@4.403223 4.403223 (832.602, 1406.91)(833.6036, 735.84) 1 831.5947 831.5947@4.403223 + 717.1751@4.4152184 4.4152184 (718.1824, 1841.66) 1 717.1751 717.1751@4.4152184 + 773.5516@4.4323397 4.4323397 (774.5603, 2459.0698)(775.55945, 1281.715)(776.5596, 1226.1) 2 773.5516 773.5516@4.4323397 + 774.0517@4.425215 4.425215 (775.059, 2139.43) 1 774.0517 774.0517@4.425215 + 339.3858@4.4063506 4.4063506 (340.3927, 1124.04) 3 339.3858 339.3858@4.4063506 + 716.01@4.456204 4.456204 (717.0173, 2635.38) 1 716.01 716.01@4.456204 + 715.5104@4.4716473 4.4716473 (716.5188, 2419.625)(717.5176, 1409.52) 2 715.5104 715.5104@4.4716473 + 686.4878@4.4593887 4.4593887 (687.49634, 2015.885)(688.498, 1343.21) 2 686.4878 686.4878@4.4593887 + 657.467@4.477196 4.477196 (658.4743, 1674.24)(659.4793, 932.69) 1 657.467 657.467@4.477196 + 628.4459@4.5081854 4.5081854 (629.4531, 1602.47)(630.4574, 1007.97) 1 628.4459 628.4459@4.5081854 + 652.9002@4.654136 4.654136 (653.9075, 1866.83)(654.9093, 1122.84) 1 652.9002 652.9002@4.654136 + 825.086@4.6721296 4.6721296 (826.0933, 1636.65) 1 825.086 825.086@4.6721296 + 708.4995@4.7334547 4.7334547 (709.5068, 1522.22)(710.5095, 1073.485) 2 708.4995 708.4995@4.7334547 + 727.4461@4.774103 4.774103 (728.45386, 1928.6799) 2 727.4461 727.4461@4.774103 + 584.7489@5.063023 5.063023 (585.7562, 1876.3) 1 584.7489 584.7489@5.063023 + 782.0507@5.113012 5.113012 (783.058, 1374.43) 1 782.0507 782.0507@5.113012 + 396.0406@5.155069 5.155069 (397.04776, 3998.685)(398.0505, 952.05) 2 396.0406 396.0406@5.155069 + 306.0715@5.147005 5.147005 (613.1505, 1164.77)(635.132, 4472.02)(636.1345, 1514.41)(307.0789, 1396.83) 1 306.0715 306.0715@5.147005 + 301.1161@5.1545734 5.1545734 (302.12326, 5387.59)(303.1277, 1072.875) 2 301.1161 301.1161@5.1545734 + 328.0532@5.159407 5.159407 (329.06046, 13776.25)(330.064, 2342.11) 3 328.0532 328.0532@5.159407 + 464.028@5.150004 5.150004 (465.0353, 2188.03)(466.0376, 662.43) 1 464.028 464.028@5.150004 + 344.0263@5.1610622 5.1610622 (345.0339, 1404.405) 2 344.0263 344.0263@5.1610622 + 157.1101@5.1559377 5.1559377 (158.11734, 10050.365)(159.11835, 1328.83)(160.11536, 3864.8599) 2 157.1101 157.1101@5.1559377 + 560.7306@5.22099 5.22099 (561.7378, 1243.24) 1 560.7306 560.7306@5.22099 + 901.4688@5.4033837 5.4033837 (902.47626, 4840.85)(903.4835, 2455.43)(904.4788, 3540.58)(905.4763, 0.0)(924.4572, 1772.805)(925.46045, 886.58496)(926.4638, 2180.71)(927.4687, 341.47) 4 901.4688 901.4688@5.4033837 + 773.5268@5.396962 5.396962 (774.534, 2476.58)(775.5416, 1508.34) 1 773.5268 773.5268@5.396962 + 904.595@5.422941 5.422941 (905.59937, 2992.53)(922.6328, 1205.08) 2 904.595 904.595@5.422941 + 914.6022@5.4429564 5.4429564 (915.6114, 1667.68)(932.6345, 1375.88)(933.6412, 845.44)(934.6446, 1196.81) 1 914.6022 914.6022@5.4429564 + 808.041@5.461563 5.461563 (809.0469, 3071.645)(810.0551, 1678.08) 2 808.041 808.041@5.461563 + 194.0402@5.490253 5.490253 (195.04773, 1452.4634)(212.0739, 14541.891)(213.07735, 1861.0201)(214.07315, 878.80005) 3 194.0402 194.0402@5.490253 + 1118.778@5.489951 5.489951 (1119.7852, 2287.96)(1120.7906, 1403.24) 1 1118.778 1118.778@5.489951 + 337.1737@5.5029497 5.5029497 (338.181, 1660.2) 1 337.1737 337.1737@5.5029497 + 378.2005@5.505949 5.505949 (379.2078, 3055.7)(380.2111, 825.41) 1 378.2005 378.2005@5.505949 + 955.5075@5.5819426 5.5819426 (956.5148, 816.3)(957.5215, 818.42) 1 955.5075 955.5075@5.5819426 + 1000.54@5.5939417 5.5939417 (1001.5472, 937.35)(1002.5492, 700.47)(1003.5499, 619.97) 1 1000.54 1000.54@5.5939417 + 876.5656@5.665903 5.665903 (877.5719, 3923.5952)(878.576, 1790.52)(879.5628, 675.61) 2 876.5656 876.5656@5.665903 + 269.0721@5.675114 5.675114 (270.0793, 10165.78)(271.0832, 1881.5251)(272.07947, 893.95)(292.06128, 2332.175) 3 269.0721 269.0721@5.675114 + 327.1252@5.7200317 5.7200317 (328.13245, 2815.395)(329.136, 1087.21) 2 327.1252 327.1252@5.7200317 + 787.602@5.6959357 5.6959357 (788.6086, 51539.37)(789.6125, 12465.97)(810.5955, 9274.71)(811.5998, 5029.91) 1 787.602 787.602@5.6959357 + 636.4192@5.7051125 5.7051125 (637.42566, 1687.755)(638.4268, 1330.77) 2 636.4192 636.4192@5.7051125 + 815.5639@5.7064667 5.7064667 (816.57074, 7729.4)(817.57294, 3536.8052) 2 815.5639 815.5639@5.7064667 + 269.0722@5.770023 5.770023 (270.07953, 13195.46)(271.08356, 2000.2949)(272.07874, 777.76)(292.06158, 1860.755) 2 269.0722 269.0722@5.770023 + 1490.7178@5.819933 5.819933 (1491.7251, 1364.21)(1492.7249, 676.98) 1 1490.7178 1490.7178@5.819933 + 876.5656@5.825933 5.825933 (877.5729, 27009.48)(878.5712, 15562.4)(879.5721, 5998.12) 1 876.5656 876.5656@5.825933 + 924.5307@5.7668796 5.7668796 (925.5326, 1476.675)(926.5359, 652.91)(942.5633, 6058.44)(943.5654, 3495.98)(944.5571, 9911.35)(945.5594, 5429.51)(946.5534, 3555.5) 2 924.5307 924.5307@5.7668796 + 940.5288@5.828933 5.828933 (941.536, 1692.02) 1 940.5288 940.5288@5.828933 + 797.6939@5.891934 5.891934 (798.7012, 1318.92) 1 797.6939 797.6939@5.891934 + 999.5712@5.9109344 5.9109344 (1000.5785, 1129.74) 1 999.5712 999.5712@5.9109344 + 408.2661@5.9445467 5.9445467 (409.27307, 2747.4023)(410.27692, 867.39624) 8 408.2661 408.2661@5.9445467 + 681.4284@5.9379354 5.9379354 (682.4361, 1517.79)(683.4288, 769.4)(664.424, 656.26) 1 681.4284 681.4284@5.9379354 + 249.0092@5.937442 5.937442 (250.01605, 3314.6099) 2 249.0092 249.0092@5.937442 + 879.6026@5.934168 5.934168 (880.61255, 1096.555)(881.6162, 972.835)(882.6158, 2191.58)(883.6144, 0.0) 2 879.6026 879.6026@5.934168 + 1076.5845@5.952936 5.952936 (1077.5918, 841.07)(1078.592, 826.83)(1079.601, 635.21) 1 1076.5845 1076.5845@5.952936 + 769.4155@5.953936 5.953936 (770.4227, 1959.84)(771.4156, 781.63)(772.4008, 919.81) 1 769.4155 769.4155@5.953936 + 782.5624@6.025282 6.025282 (783.57025, 8893.009)(784.5767, 3668.6865)(785.58075, 1263.434) 6 782.5624 782.5624@6.025282 + 906.5608@5.9579363 5.9579363 (907.5681, 2018.19)(908.5826, 1593.6)(909.5788, 1224.92) 1 906.5608 906.5608@5.9579363 + 743.4042@5.962937 5.962937 (744.4115, 3324.21)(745.4099, 1434.33) 1 743.4042 743.4042@5.962937 + 676.4504@6.0203285 6.0203285 (677.45795, 4599.5) 3 676.4504 676.4504@6.0203285 + 769.5327@6.033941 6.033941 (770.54, 1230.26) 1 769.5327 769.5327@6.033941 + 101.0838@6.054121 6.054121 (102.091, 10467.0)(103.0868, 2275.64) 2 101.0838 101.0838@6.054121 + 897.5328@6.164954 6.164954 (898.5401, 2474.66)(899.5615, 1117.97)(900.5209, 3688.09)(901.5217, 2065.33)(902.5349, 2315.48) 1 897.5328 897.5328@6.164954 + 809.5847@6.1669545 6.1669545 (810.592, 3104.7)(811.6008, 1952.0)(812.6095, 1135.74) 1 809.5847 809.5847@6.1669545 + 514.9964@6.152822 6.152822 (516.00287, 1607.9739)(497.9946, 1270.01) 5 514.9964 514.9964@6.152822 + 842.5028@6.174692 6.174692 (843.5161, 1192.16)(825.49817, 5074.795)(826.5046, 2716.66)(827.5131, 1242.77) 3 842.5028 842.5028@6.174692 + 688.3913@6.1819563 6.1819563 (689.3986, 8976.14)(690.404, 4121.05)(691.3993, 1323.61) 1 688.3913 688.3913@6.1819563 + 893.5915@6.2359905 6.2359905 (894.6017, 1577.24)(895.6102, 886.1) 2 893.5915 893.5915@6.2359905 + 671.3622@6.316146 6.316146 (672.3679, 3598.85)(673.369, 1216.5549)(674.3627, 1544.7649)(694.347, 903.59) 2 671.3622 671.3622@6.316146 + 866.5677@6.329964 6.329964 (867.57434, 1491.0801)(868.5832, 1807.38)(869.59, 943.42)(889.561, 1120.82) 2 866.5677 866.5677@6.329964 + 800.6142@6.3179784 6.3179784 (801.6215, 971.3) 1 800.6142 800.6142@6.3179784 + 721.4476@6.3189783 6.3189783 (722.4539, 6891.2)(723.46, 2733.84)(744.4401, 4329.64)(745.4443, 1910.68)(746.4565, 3750.1)(747.4586, 1388.54)(748.4551, 1947.22) 1 721.4476 721.4476@6.3189783 + 749.4312@6.3259797 6.3259797 (750.4384, 2239.53)(751.4237, 756.45) 1 749.4312 749.4312@6.3259797 + 740.463@6.32898 6.32898 (741.4703, 2695.13)(742.4664, 1863.31) 1 740.463 740.463@6.32898 + 708.4753@6.344983 6.344983 (709.4826, 2835.15) 1 708.4753 708.4753@6.344983 + 877.5979@6.37999 6.37999 (878.6051, 1547.54)(879.6066, 857.31) 1 877.5979 877.5979@6.37999 + 749.4365@6.388992 6.388992 (750.4443, 1737.37)(751.4585, 1001.9)(752.4631, 254.8)(772.4228, 939.92)(773.4326, 538.75) 1 749.4365 749.4365@6.388992 + 806.5492@6.404996 6.404996 (807.5565, 4826.02) 1 806.5492 806.5492@6.404996 + 712.4344@6.437003 6.437003 (713.4417, 1292.53) 1 712.4344 712.4344@6.437003 + 877.5941@6.450006 6.450006 (878.6013, 1486.24) 1 877.5941 877.5941@6.450006 + 689.4003@6.454496 6.454496 (690.40155, 2123.73)(691.4067, 1081.35)(672.3898, 3177.94)(673.3964, 1124.16)(712.3843, 1987.895)(713.3844, 971.44) 3 689.4003 689.4003@6.454496 + 821.5764@6.46701 6.46701 (822.5837, 2632.7)(823.5892, 1514.78)(824.5641, 253.76) 1 821.5764 821.5764@6.46701 + 772.4639@6.4720116 6.4720116 (773.4758, 866.11)(795.4517, 975.26)(796.4728, 936.39) 1 772.4639 772.4639@6.4720116 + 793.553@6.5220246 6.5220246 (794.5603, 1461.52)(795.5572, 835.94) 1 793.553 793.553@6.5220246 + 637.4143@6.5621853 6.5621853 (638.42285, 18699.785)(639.43085, 6923.74) 2 637.4143 637.4143@6.5621853 + 623.38@6.6040783 6.6040783 (624.38727, 13849.82)(625.391, 4899.195)(626.395, 2550.23)(627.3986, 921.68) 2 623.38 623.38@6.6040783 + 795.4459@6.6350574 6.6350574 (796.4531, 1641.74)(797.4534, 569.58) 1 795.4459 795.4459@6.6350574 + 972.5034@6.646061 6.646061 (973.5106, 997.26)(974.5193, 372.06) 1 972.5034 972.5034@6.646061 + 877.6015@6.6480618 6.6480618 (878.6088, 1201.05)(879.6075, 549.63) 1 877.6015 877.6015@6.6480618 + 719.4346@6.6540637 6.6540637 (720.4419, 2238.27)(721.4491, 830.41)(722.4597, 35883.18) 1 719.4346 719.4346@6.6540637 + 777.4338@6.658065 6.658065 (778.4411, 2393.17)(779.4427, 1159.97)(780.4548, 1085.17) 1 777.4338 777.4338@6.658065 + 953.4892@6.664067 6.664067 (954.4964, 1017.49)(955.5066, 786.07)(956.5104, 993.83) 1 953.4892 953.4892@6.664067 + 835.4536@6.6840734 6.6840734 (836.4637, 976.63)(837.4548, 967.77)(838.4672, 1049.0)(818.4481, 1263.69) 1 835.4536 835.4536@6.6840734 + 740.5277@6.7010794 6.7010794 (741.535, 1143.32)(742.5532, 876.81) 1 740.5277 740.5277@6.7010794 + 800.4245@6.709082 6.709082 (801.4299, 868.98)(818.4597, 1472.07)(819.4576, 871.38) 1 800.4245 800.4245@6.709082 + 581.3611@6.7180853 6.7180853 (582.3683, 2742.32)(583.3531, 916.19) 1 581.3611 581.3611@6.7180853 + 703.4371@6.7210865 6.7210865 (704.4444, 1790.0)(705.4486, 1168.9)(706.4299, 6542.7)(707.4333, 1198.84)(708.44, 4268.29) 1 703.4371 703.4371@6.7210865 + 800.5163@6.749295 6.749295 (801.5276, 2112.71)(823.5016, 1614.29)(824.4861, 1613.3)(825.4924, 1150.05) 2 800.5163 800.5163@6.749295 + 814.0286@6.7357388 6.7357388 (815.0377, 2436.3198)(816.0167, 1566.35) 4 814.0286 814.0286@6.7357388 + 1062.1993@6.7340913 6.7340913 (1063.2065, 1566.92)(1064.1956, 979.45) 1 1062.1993 1062.1993@6.7340913 + 1053.6855@6.7580285 6.7580285 (1054.6914, 7855.1216)(1076.6782, 7839.59) 6 1053.6855 1053.6855@6.7580285 + 892.0539@6.7540984 6.7540984 (893.0612, 1615.88) 1 892.0539 892.0539@6.7540984 + 855.5024@6.7472258 6.7472258 (856.50134, 1091.25)(857.5067, 1024.8151)(858.4943, 816.09) 2 855.5024 855.5024@6.7472258 + 799.0127@6.7753415 6.7753415 (800.01886, 3694.0134)(801.0261, 3087.7434) 3 799.0127 799.0127@6.7753415 + 819.9988@6.776007 6.776007 (821.00555, 3871.9033)(822.01434, 3616.0098)(823.01624, 1996.2849) 3 819.9988 819.9988@6.776007 + 1079.1521@6.7841096 6.7841096 (1080.1594, 2201.76)(1081.1749, 1698.12)(1082.1782, 2028.73) 1 1079.1521 1079.1521@6.7841096 + 639.3093@6.7851105 6.7851105 (640.3166, 3162.47)(641.3217, 1165.87) 1 639.3093 639.3093@6.7851105 + 1106.6575@6.787111 6.787111 (1107.6648, 1192.8)(1108.6624, 986.84)(1109.6674, 1327.4) 1 1106.6575 1106.6575@6.787111 + 533.3113@6.7895865 6.7895865 (534.315, 40292.4)(535.318, 10309.145)(536.3242, 3171.78) 3 533.3113 533.3113@6.7895865 + 793.4823@6.797668 6.797668 (794.48083, 2354.085) 2 793.4823 793.4823@6.797668 + 1027.1653@6.763291 6.763291 (1028.1697, 2963.18)(1050.1581, 5616.93)(1051.164, 3614.57)(1052.1721, 5160.89)(1053.1763, 3940.91)(1054.1711, 3617.77) 2 1027.1653 1027.1653@6.763291 + 1294.8062@6.832331 6.832331 (1295.8143, 3101.7566) 3 1294.8062 1294.8062@6.832331 + 1148.7216@6.844134 6.844134 (1149.728, 2822.07)(1150.7277, 1843.96)(1171.711, 5465.27)(1172.7144, 3849.61)(1173.7195, 1525.25) 1 1148.7216 1148.7216@6.844134 + 844.5099@6.852137 6.852137 (845.5172, 1715.01)(846.5263, 1826.04) 1 844.5099 844.5099@6.852137 + 785.4387@6.8751464 6.8751464 (786.446, 1442.97)(787.4569, 1111.9)(788.4653, 1882.91)(789.4654, 919.57)(790.4615, 1388.22)(791.4562, 380.44)(792.4544, 1692.95) 1 785.4387 785.4387@6.8751464 + 619.3832@6.8791485 6.8791485 (620.3904, 983.11)(642.3725, 1251.34)(643.3908, 627.87)(644.3873, 731.39) 1 619.3832 619.3832@6.8791485 + 592.3011@6.881091 6.881091 (593.3097, 2189.2651)(594.2969, 831.115)(610.3347, 6637.96)(611.3372, 4254.21)(612.3502, 5060.73) 2 592.3011 592.3011@6.881091 + 797.4361@6.829545 6.829545 (798.4433, 1781.3401)(799.4497, 851.1)(800.4462, 1121.81) 2 797.4361 797.4361@6.829545 + 556.298@6.9021583 6.9021583 (557.3053, 2466.13) 1 556.298 556.298@6.9021583 + 658.3958@6.9071603 6.9071603 (659.4031, 1184.06) 1 658.3958 658.3958@6.9071603 + 413.2723@6.920166 6.920166 (827.554, 908.43)(414.2792, 2583.57)(415.283, 949.71) 1 413.2723 413.2723@6.920166 + 605.2931@6.995201 6.995201 (606.3004, 4734.55)(607.3043, 1277.51) 1 605.2931 605.2931@6.995201 + 637.3917@7.0252156 7.0252156 (638.3989, 1450.02) 1 637.3917 637.3917@7.0252156 + 439.2722@7.0292177 7.0292177 (440.2795, 890.38) 1 439.2722 439.2722@7.0292177 + 341.1855@7.074576 7.074576 (342.19354, 1555.5549)(343.1953, 785.23) 2 341.1855 341.1855@7.074576 + 566.3047@7.0892487 7.0892487 (567.312, 3486.05) 1 566.3047 566.3047@7.0892487 + 610.33@7.102256 7.102256 (611.3373, 1551.79) 1 610.33 610.33@7.102256 + 529.2779@7.1432776 7.1432776 (530.28455, 1605.46)(531.2876, 787.46) 2 529.2779 529.2779@7.1432776 + 757.4127@7.154284 7.154284 (758.42, 1358.29)(759.4265, 912.11) 1 757.4127 757.4127@7.154284 + 941.5227@7.1572857 7.1572857 (942.53, 1514.83)(943.5351, 604.45)(944.5378, 573.5) 1 941.5227 941.5227@7.1572857 + 837.4613@7.1622887 7.1622887 (838.4685, 1001.77)(839.4805, 620.87)(840.46, 748.42) 1 837.4613 837.4613@7.1622887 + 687.3767@7.2074184 7.2074184 (688.3838, 1750.68)(689.3855, 816.46) 3 687.3767 687.3767@7.2074184 + 465.2139@7.213318 7.213318 (466.2211, 1462.01) 1 465.2139 465.2139@7.213318 + 229.179@7.2393246 7.2393246 (230.18616, 2895.62)(231.1881, 1018.16) 3 229.179 229.179@7.2393246 + 662.3909@7.358409 7.358409 (663.3981, 1187.69)(664.4061, 898.06) 1 662.3909 662.3909@7.358409 + 630.2987@7.460479 7.460479 (631.3059, 1729.45) 1 630.2987 630.2987@7.460479 + 798.6602@7.47549 7.47549 (799.6675, 773.34)(800.6676, 502.6) 1 798.6602 798.6602@7.47549 + 425.2169@7.519522 7.519522 (426.2241, 1042.21) 1 425.2169 425.2169@7.519522 + 649.3238@7.732694 7.732694 (650.331, 1073.36) 1 649.3238 649.3238@7.732694 + 498.242@7.891839 7.891839 (499.2493, 1855.95) 1 498.242 498.242@7.891839 + 370.1577@8.141095 8.141095 (371.1649, 1520.41) 1 370.1577 370.1577@8.141095 + 523.1815@8.365358 8.365358 (524.1888, 1029.5) 1 523.1815 523.1815@8.365358 + 228.1474@8.339262 8.339262 (229.15454, 15913.84)(230.15814, 1774.815) 2 228.1474 228.1474@8.339262 + 730.9202@9.347901 9.347901 (731.9275, 923.69)(732.9362, 742.67) 1 730.9202 730.9202@9.347901 + 429.3714@0.7393668 0.7393668 (430.37912, 3015.9766)(431.38452, 1195.7367) 3 429.3714 429.3714@0.7393668 + 300.844@0.7691992 0.7691992 (301.8515, 1906.22)(318.8778, 4321.44)(323.8326, 698.86) 1 300.844 300.844@0.7691992 + 163.0639@0.7926297 0.7926297 (164.0712, 6800.675)(165.07065, 1178.98)(186.0537, 1202.73) 2 163.0639 163.0639@0.7926297 + 153.0427@0.85965675 0.85965675 (154.05014, 8730.26)(155.0526, 1066.74)(136.0388, 4049.95) 2 153.0427 153.0427@0.85965675 + 811.1215@0.8879782 0.8879782 (812.12866, 4785.425)(813.1317, 1576.4951)(814.1273, 1571.6) 2 811.1215 811.1215@0.8879782 + 424.3363@0.9572775 0.9572775 (425.3435, 1501.85)(426.3398, 628.79) 1 424.3363 424.3363@0.9572775 + 241.0044@0.96655345 0.96655345 (242.01175, 3615.295)(243.0151, 991.54) 2 241.0044 241.0044@0.96655345 + 787.6308@1.0042987 1.0042987 (788.6381, 7307.03)(789.6419, 3631.52)(790.6542, 5624.47)(791.6597, 2372.72)(792.6691, 4282.74) 1 787.6308 787.6308@1.0042987 + 723.6048@1.0083007 1.0083007 (724.6121, 2773.22)(725.6104, 1379.99)(726.6175, 1448.82) 1 723.6048 723.6048@1.0083007 + 876.2566@1.0103016 1.0103016 (877.2639, 2487.06) 1 876.2566 876.2566@1.0103016 + 381.0361@1.0173048 1.0173048 (382.0434, 1295.1) 1 381.0361 381.0361@1.0173048 + 445.1133@1.0483193 1.0483193 (446.1206, 5297.73)(447.1179, 2930.29)(448.1182, 1459.44) 1 445.1133 445.1133@1.0483193 + 1581.252@1.0464866 1.0464866 (1582.2621, 985.265)(1583.26, 1124.1799)(1584.2607, 1165.17)(1585.2571, 1193.3) 2 1581.252 1581.252@1.0464866 + 1097.3132@1.0644617 1.0644617 (1098.3209, 3996.12)(1099.3206, 2348.6777)(1100.3193, 1354.87) 4 1097.3132 1097.3132@1.0644617 + 829.708@1.0623261 1.0623261 (830.7153, 1392.65)(831.7175, 856.7) 1 829.708 829.708@1.0623261 + 597.5676@1.0682194 1.0682194 (598.5735, 1397.7051)(599.577, 776.925) 2 597.5676 597.5676@1.0682194 + 533.278@1.0798702 1.0798702 (534.2863, 3430.9402)(535.29144, 1401.7968) 3 533.278 533.278@1.0798702 + 948.2777@1.0693294 1.0693294 (949.285, 3353.55)(950.2832, 1564.0) 1 948.2777 948.2777@1.0693294 + 670.3205@1.0644875 1.0644875 (671.3273, 2627.465)(672.323, 1063.6699)(673.3192, 640.79) 2 670.3205 670.3205@1.0644875 + 818.7188@1.0713303 1.0713303 (819.7261, 5692.22) 1 818.7188 818.7188@1.0713303 + 815.7261@1.0723308 1.0723308 (816.7334, 2672.72)(817.7256, 1552.14)(818.7232, 8819.04) 1 815.7261 815.7261@1.0723308 + 372.3218@1.0733312 1.0733312 (762.6737, 2323.32)(763.6762, 1687.96)(764.6764, 2615.27)(373.3288, 2723.58)(355.3191, 3374.24)(356.3209, 1600.21) 1 372.3218 372.3218@1.0733312 + 523.3711@1.0743318 1.0743318 (524.3783, 3022.36)(525.37, 1459.25)(526.374, 3615.75) 1 523.3711 523.3711@1.0743318 + 394.1208@1.0743318 1.0743318 (395.1281, 59881.54)(396.1314, 14245.9)(397.1311, 4367.12)(398.1272, 1008.4) 1 394.1208 394.1208@1.0743318 + 413.1154@1.0743318 1.0743318 (414.1226, 43894.52)(415.1249, 10574.45)(416.1341, 5532.48)(417.1361, 1240.81) 1 413.1154 413.1154@1.0743318 + 1136.303@1.0760015 1.0760015 (1137.3092, 1212.935) 2 1136.303 1136.303@1.0760015 + 754.6864@1.0753323 1.0753323 (755.6936, 2938.29)(756.6941, 1174.25) 1 754.6864 754.6864@1.0753323 + 785.1954@1.0753323 1.0753323 (786.2027, 3066.85)(787.2071, 1557.79) 1 785.1954 785.1954@1.0753323 + 581.5351@1.0803348 1.0803348 (582.5424, 1208.18) 1 581.5351 581.5351@1.0803348 + 748.491@1.0803348 1.0803348 (749.4983, 850.94)(750.505, 750.88) 1 748.491 748.491@1.0803348 + 560.3724@1.0813352 1.0813352 (561.3796, 2994.18) 1 560.3724 560.3724@1.0813352 + 694.5656@1.0782808 1.0782808 (695.5737, 1673.8334)(696.5768, 1491.15) 3 694.5656 694.5656@1.0782808 + 573.46@1.0830715 1.0830715 (574.4648, 4755.5303)(596.4456, 2006.37) 2 573.46 573.46@1.0830715 + 301.2216@1.0823357 1.0823357 (620.4791, 3108.36)(621.4694, 2277.97)(622.4784, 2116.64)(302.2274, 2441.79) 1 301.2216 301.2216@1.0823357 + 705.4477@1.0759163 1.0759163 (706.45526, 2025.89)(707.4661, 1454.5067)(708.4692, 1819.41) 3 705.4477 705.4477@1.0759163 + 388.3545@1.0863376 1.0863376 (389.362, 9972.93)(390.3637, 3374.57)(391.3581, 2581.23)(406.3881, 8315.8)(407.3906, 2460.33) 1 388.3545 388.3545@1.0863376 + 886.782@1.0863376 1.0863376 (887.7893, 1493.82)(888.7763, 1169.56) 1 886.782 886.782@1.0863376 + 491.3845@1.093341 1.093341 (492.3903, 4327.1)(514.3743, 6267.08)(515.3748, 4102.83) 1 491.3845 491.3845@1.093341 + 124.1251@1.1013448 1.1013448 (249.2575, 2628.58)(250.2599, 920.95)(125.1325, 1219.37) 1 124.1251 124.1251@1.1013448 + 822.7493@1.1023453 1.1023453 (823.7566, 6138.07)(824.7589, 2883.9)(825.7597, 1188.9) 1 822.7493 822.7493@1.1023453 + 375.241@1.1092324 1.1092324 (376.24677, 3240.9102) 2 375.241 375.241@1.1092324 + 597.5693@1.1103493 1.1103493 (598.5766, 3495.9)(599.5789, 1386.64) 1 597.5693 597.5693@1.1103493 + 449.4073@1.1143513 1.1143513 (450.4146, 3483.0)(451.4157, 1039.78) 1 449.4073 449.4073@1.1143513 + 861.7744@1.1213548 1.1213548 (862.7816, 2499.77)(863.7865, 1170.5)(864.7865, 780.11) 1 861.7744 861.7744@1.1213548 + 615.5567@1.1212621 1.1212621 (616.5659, 1321.57)(617.5747, 961.06995) 3 615.5567 615.5567@1.1212621 + 421.3768@1.1263573 1.1263573 (422.3841, 10077.42)(423.3862, 3424.11) 1 421.3768 421.3768@1.1263573 + 507.4365@1.1303592 1.1303592 (508.4437, 4631.82)(509.4474, 1984.02)(510.4397, 3274.52) 1 507.4365 507.4365@1.1303592 + 255.2196@1.1332542 1.1332542 (511.4479, 1030.65)(256.22656, 9692.403)(257.2276, 2195.7)(258.23322, 915.08) 3 255.2196 255.2196@1.1332542 + 260.2344@1.1360097 1.1360097 (261.24185, 2922.3901)(278.2681, 1564.975)(283.2232, 1218.14) 2 260.2344 260.2344@1.1360097 + 727.6213@1.1393638 1.1393638 (728.6286, 2623.38)(729.6109, 2524.56)(730.6282, 1216.44) 1 727.6213 727.6213@1.1393638 + 637.5477@1.1479768 1.1479768 (638.5526, 2638.815)(639.5548, 1169.885)(640.5511, 1084.275) 4 637.5477 637.5477@1.1479768 + 475.3787@1.1483682 1.1483682 (476.3859, 5856.55)(477.3923, 2296.58) 1 475.3787 475.3787@1.1483682 + 537.4587@1.1603743 1.1603743 (538.466, 4989.4)(539.4664, 1629.3) 1 537.4587 537.4587@1.1603743 + 408.1692@1.1653768 1.1653768 (409.1765, 5274.23)(410.1831, 1355.28) 1 408.1692 408.1692@1.1653768 + 371.2307@1.190308 1.190308 (372.23828, 6354.6133) 3 371.2307 371.2307@1.190308 + 395.3489@1.1943917 1.1943917 (396.3561, 8696.19)(397.3505, 1773.48)(398.3625, 2409.56) 1 395.3489 395.3489@1.1943917 + 901.808@1.1973933 1.1973933 (902.8152, 3728.02)(903.8181, 2085.96) 1 901.808 901.808@1.1973933 + 196.1461@1.1667235 1.1667235 (197.15366, 2681.8901)(214.17984, 4085.975)(215.1818, 1969.21) 2 196.1461 196.1461@1.1667235 + 537.4574@1.2063979 1.2063979 (538.4647, 4816.59) 1 537.4574 537.4574@1.2063979 + 410.2712@1.2428519 1.2428519 (411.27744, 3136.405)(428.3047, 3945.05)(429.3006, 2012.37)(433.2636, 1265.2) 6 410.2712 410.2712@1.2428519 + 366.1686@1.2134017 1.2134017 (367.1758, 2536.13)(368.1793, 1132.49) 1 366.1686 366.1686@1.2134017 + 293.2335@1.2405412 1.2405412 (587.4739, 2842.63)(294.24097, 7173.075) 2 293.2335 293.2335@1.2405412 + 626.5139@1.2214057 1.2214057 (627.5211, 3044.08)(628.5357, 1208.09) 1 626.5139 626.5139@1.2214057 + 567.4707@1.2214057 1.2214057 (568.4779, 13957.98)(569.4811, 4867.8) 1 567.4707 567.4707@1.2214057 + 147.0688@1.2284094 1.2284094 (148.076, 8711.27)(149.0754, 1598.16) 1 147.0688 147.0688@1.2284094 + 426.3572@1.2370028 1.2370028 (427.36365, 3800.23)(428.3772, 2630.49) 2 426.3572 426.3572@1.2370028 + 558.4516@1.2564243 1.2564243 (559.4596, 1701.53)(541.449, 5099.19)(542.4461, 2272.83)(576.4817, 1404.65) 1 558.4516 558.4516@1.2564243 + 813.6132@1.2584254 1.2584254 (814.6205, 1353.26)(815.6283, 1017.32)(816.6388, 1439.64) 1 813.6132 813.6132@1.2584254 + 799.6089@1.2584254 1.2584254 (800.6189, 1282.62)(801.6156, 1033.76)(802.6257, 1579.73)(817.6403, 1619.67)(818.6299, 1268.62) 1 799.6089 799.6089@1.2584254 + 584.4565@1.2584254 1.2584254 (585.4638, 3020.03)(586.4689, 1510.95)(587.4747, 3940.48) 1 584.4565 584.4565@1.2584254 + 419.2659@1.2594258 1.2594258 (420.2732, 4014.14)(421.2667, 2114.6)(442.2552, 1154.29) 1 419.2659 419.2659@1.2594258 + 760.6217@1.2594258 1.2594258 (761.629, 2391.41)(762.6488, 1257.81)(763.6459, 1011.89) 1 760.6217 760.6217@1.2594258 + 499.3753@1.2248054 1.2248054 (500.39066, 1871.0375)(501.38864, 711.07)(517.4214, 1396.38)(522.3638, 8635.88)(523.3651, 3576.8)(524.366, 2814.93) 4 499.3753 499.3753@1.2248054 + 798.2395@1.263428 1.263428 (799.2468, 1103.34)(800.2501, 998.42)(801.2451, 802.93) 1 798.2395 798.2395@1.263428 + 803.6107@1.2762439 1.2762439 (804.62305, 1211.4199)(805.6179, 873.54004) 2 803.6107 803.6107@1.2762439 + 835.7628@1.2964457 1.2964457 (836.7701, 1517.87)(837.7729, 1041.37)(838.7838, 1048.28) 1 835.7628 835.7628@1.2964457 + 197.1779@1.3024491 1.3024491 (198.1851, 17608.13)(199.1807, 3680.4)(220.1695, 831.15) 1 197.1779 197.1779@1.3024491 + 651.4916@1.2869899 1.2869899 (652.49207, 1724.55)(653.504, 871.265) 2 651.4916 651.4916@1.2869899 + 881.7534@1.3254617 1.3254617 (882.7607, 965.6) 1 881.7534 881.7534@1.3254617 + 481.3231@1.3914986 1.3914986 (482.3304, 1609.36) 1 481.3231 481.3231@1.3914986 + 343.1458@1.4154793 1.4154793 (344.15265, 4961.62)(345.1648, 2030.76)(366.13565, 1610.36)(367.1386, 731.9) 2 343.1458 343.1458@1.4154793 + 145.053@1.423724 1.423724 (146.06003, 6828.997)(147.0627, 1102.2367) 4 145.053 145.053@1.423724 + 426.206@1.432522 1.432522 (427.2133, 1288.57) 1 426.206 426.206@1.432522 + 715.5438@1.4375249 1.4375249 (716.5477, 1229.83)(698.5413, 6741.5)(699.5452, 3146.7) 1 715.5438 715.5438@1.4375249 + 570.8852@1.4375249 1.4375249 (571.8925, 1770.81)(572.8948, 1339.27)(573.8901, 3987.0)(574.8932, 1350.95)(575.8885, 3819.71)(576.8907, 1143.13)(577.8877, 1621.19) 1 570.8852 570.8852@1.4375249 + 183.056@1.4465301 1.4465301 (184.0633, 745.53)(166.0527, 9297.29) 1 183.056 183.056@1.4465301 + 910.6088@1.4544106 1.4544106 (911.6157, 1529.78)(912.6212, 1023.275) 2 910.6088 910.6088@1.4544106 + 309.103@1.45165 1.45165 (310.1117, 3002.0352)(311.11658, 1126.1425) 4 309.103 309.103@1.45165 + 917.6164@1.4555354 1.4555354 (918.6236, 873.71)(919.6257, 865.79) 1 917.6164 917.6164@1.4555354 + 569.7793@1.4547453 1.4547453 (570.7868, 1388.31)(571.7905, 847.17)(572.7854, 1962.79) 2 569.7793 569.7793@1.4547453 + 458.8525@1.4572808 1.4572808 (459.85962, 2003.9933) 3 458.8525 458.8525@1.4572808 + 545.3924@1.4725454 1.4725454 (546.3997, 14828.09)(547.4032, 5124.33)(548.4057, 1371.78) 1 545.3924 545.3924@1.4725454 + 353.2374@1.441709 1.441709 (354.24713, 2333.88)(355.2498, 1242.29) 2 353.2374 353.2374@1.441709 + 1024.2959@1.5786088 1.5786088 (1025.3032, 1342.94) 1 1024.2959 1024.2959@1.5786088 + 484.1801@1.5856131 1.5856131 (485.1876, 9714.46)(486.1912, 2402.98)(507.1692, 8195.39)(508.1725, 2177.92) 1 484.1801 484.1801@1.5856131 + 411.317@1.6236365 1.6236365 (412.3242, 1128.97) 1 411.317 411.317@1.6236365 + 589.4188@1.6296401 1.6296401 (590.426, 16921.79)(591.4296, 5171.84)(592.4323, 2162.69) 1 589.4188 589.4188@1.6296401 + 581.2379@1.6466508 1.6466508 (582.2452, 1469.73) 1 581.2379 581.2379@1.6466508 + 197.1414@1.6600871 1.6600871 (198.14874, 4255.925)(199.14774, 1367.44) 2 197.1414 197.1414@1.6600871 + 513.3874@1.7365977 1.7365977 (514.39435, 7589.0703)(515.39777, 2314.1133) 3 513.3874 513.3874@1.7365977 + 342.1371@1.7327052 1.7327052 (343.1444, 3918.95)(344.15, 354.07)(345.1511, 998.53) 1 342.1371 342.1371@1.7327052 + 633.4454@1.7927442 1.7927442 (634.4527, 14265.61)(635.4559, 5460.76)(636.4591, 960.43) 1 633.4454 633.4454@1.7927442 + 379.1166@1.7955005 1.7955005 (380.12384, 2074.6802)(381.1284, 803.9) 2 379.1166 379.1166@1.7955005 + 283.1994@1.8037512 1.8037512 (284.2067, 78600.09)(285.2101, 11186.1)(286.2126, 2144.62) 1 283.1994 283.1994@1.8037512 + 435.2837@1.8567861 1.8567861 (436.291, 2532.33)(437.2943, 850.62) 1 435.2837 435.2837@1.8567861 + 338.0703@1.8637909 1.8637909 (339.0775, 11291.91)(340.0809, 1338.96) 1 338.0703 338.0703@1.8637909 + 60.0617@1.8808022 1.8808022 (61.0689, 1506.65) 1 60.0617 60.0617@1.8808022 + 443.072@1.8810382 1.8810382 (444.07892, 1985.99) 2 443.072 443.072@1.8810382 + 341.083@1.9008156 1.9008156 (342.0902, 7878.02)(343.0932, 1594.65) 1 341.083 341.083@1.9008156 + 227.1519@1.9758664 1.9758664 (228.1592, 6546.15)(229.1626, 1575.74) 1 227.1519 227.1519@1.9758664 + 677.4712@1.9440757 1.9440757 (678.47864, 11537.814)(679.4817, 4483.385)(680.4889, 1174.5) 2 677.4712 677.4712@1.9440757 + 498.3062@1.992878 1.992878 (499.3134, 2133.76)(500.3143, 628.43)(501.3005, 1533.03) 1 498.3062 498.3062@1.992878 + 757.5585@2.0249 2.0249 (758.5658, 1417.22)(759.5641, 892.7)(760.5674, 1508.25)(761.563, 615.12) 1 757.5585 757.5585@2.0249 + 1170.3206@2.1158516 2.1158516 (1171.3275, 2062.03)(1172.3243, 2251.6123)(1173.3221, 2191.4075)(1174.3203, 1104.265)(1175.3221, 1107.05) 4 1170.3206 1170.3206@2.1158516 + 1318.362@2.1186419 2.1186419 (1319.3704, 1467.115)(1320.3628, 1460.24)(1321.3618, 1332.2849)(1322.3584, 948.77) 2 1318.362 1318.362@2.1186419 + 406.0575@2.1609952 2.1609952 (407.0648, 909.66) 1 406.0575 406.0575@2.1609952 + 372.0858@2.1708713 2.1708713 (373.09265, 1160.355) 2 372.0858 372.0858@2.1708713 + 721.4973@2.1840115 2.1840115 (722.5046, 10131.32) 1 721.4973 721.4973@2.1840115 + 787.6016@2.4441998 2.4441998 (788.6089, 12132.58)(789.6115, 5789.33) 1 787.6016 787.6016@2.4441998 + 116.0476@2.7634377 2.7634377 (117.0549, 1851.73) 1 116.0476 116.0476@2.7634377 + 272.077@2.8475404 2.8475404 (273.0842, 10604.575)(274.0879, 1574.27)(275.089, 724.77) 2 272.077 272.077@2.8475404 + 204.0506@2.8692665 2.8692665 (205.05786, 4566.105) 2 204.0506 204.0506@2.8692665 + 775.5659@2.8893073 2.8893073 (776.573, 2094.9834)(777.576, 1058.2234) 3 775.5659 775.5659@2.8893073 + 98.0183@2.8815267 2.8815267 (99.0256, 1105.71) 1 98.0183 98.0183@2.8815267 + 52.0312@2.9035432 2.9035432 (53.0385, 1514.4) 1 52.0312 52.0312@2.9035432 + 116.0486@2.941572 2.941572 (117.0559, 2009.26) 1 116.0486 116.0486@2.941572 + 831.6278@2.9465756 2.9465756 (832.6351, 16147.4)(833.6385, 8132.61)(834.6406, 2350.11)(835.6442, 380.4) 1 831.6278 831.6278@2.9465756 + 481.1291@3.0180879 3.0180879 (482.1364, 1975.45)(483.1499, 984.08) 2 481.1291 481.1291@3.0180879 + 507.1243@3.0145335 3.0145335 (508.13184, 1117.9)(490.12085, 3299.7798)(491.12457, 871.57996) 2 507.1243 507.1243@3.0145335 + 501.1676@3.0266361 3.0266361 (502.1756, 931.05)(484.1642, 1729.75) 1 501.1676 501.1676@3.0266361 + 242.0536@3.0397062 3.0397062 (243.0611, 2076.385)(244.0743, 875.23) 2 242.0536 242.0536@3.0397062 + 255.1683@3.0776744 3.0776744 (256.1758, 3741.08)(238.1649, 6659.08) 1 255.1683 255.1683@3.0776744 + 243.1471@3.123709 3.123709 (244.1543, 5138.03)(245.1557, 1233.88) 1 243.1471 243.1471@3.123709 + 157.0743@3.1467261 3.1467261 (158.0816, 5538.86)(159.0863, 1426.48) 1 157.0743 157.0743@3.1467261 + 485.1656@3.1562152 3.1562152 (486.17285, 2739.65)(487.17468, 876.4625) 5 485.1656 485.1656@3.1562152 + 673.983@3.538136 3.538136 (674.98975, 1170.135) 2 673.983 673.983@3.538136 + 667.483@3.7091377 3.7091377 (668.4903, 1490.15)(669.4946, 633.47) 1 667.483 667.483@3.7091377 + 840.5973@3.7231474 3.7231474 (841.6046, 692.22)(842.6086, 786.3) 1 840.5973 840.5973@3.7231474 + 440.3205@3.7194567 3.7194567 (441.32822, 3096.423)(442.33133, 1052.7433) 3 440.3205 440.3205@3.7194567 + 507.323@3.745163 3.745163 (508.3267, 818.28)(490.3207, 1378.81) 1 507.323 507.323@3.745163 + 613.9429@3.7851908 3.7851908 (614.9502, 1323.87) 1 613.9429 613.9429@3.7851908 + 440.3217@3.7921956 3.7921956 (441.329, 2461.4)(442.3285, 1181.2) 1 440.3217 440.3217@3.7921956 + 436.1976@3.8147218 3.8147218 (437.20422, 1586.2866) 3 436.1976 436.1976@3.8147218 + 877.636@3.8341515 3.8341515 (878.6432, 1388.845)(879.64746, 762.525) 2 877.636 877.636@3.8341515 + 661.5996@3.8822577 3.8822577 (662.6068, 2154.53)(663.6104, 1098.88)(664.6218, 1560.66)(665.6278, 407.11) 1 661.5996 661.5996@3.8822577 + 221.0698@3.8892624 3.8892624 (222.0771, 3605.16) 1 221.0698 221.0698@3.8892624 + 665.6152@3.9102767 3.9102767 (666.6225, 1039.16) 1 665.6152 665.6152@3.9102767 + 542.4201@3.9172814 3.9172814 (543.4273, 4047.69)(544.4402, 752.92) 1 542.4201 542.4201@3.9172814 + 245.0914@3.9172814 3.9172814 (246.0987, 2316.08)(247.0994, 801.33) 1 245.0914 245.0914@3.9172814 + 921.6598@3.9249687 3.9249687 (922.6672, 1406.8434)(923.6716, 703.98) 3 921.6598 921.6598@3.9249687 + 213.0449@3.9222848 3.9222848 (214.0522, 1572.35) 1 213.0449 213.0449@3.9222848 + 481.8532@3.9442995 3.9442995 (482.8605, 2546.57) 1 481.8532 481.8532@3.9442995 + 581.0842@3.9512973 3.9512973 (582.0913, 1763.992) 5 581.0842 581.0842@3.9512973 + 619.7781@3.950091 3.950091 (620.78577, 1943.0061) 5 619.7781 619.7781@3.950091 + 474.3616@3.9733188 3.9733188 (475.3689, 3073.28)(476.3705, 1810.86) 1 474.3616 474.3616@3.9733188 + 621.4379@4.003339 4.003339 (622.4452, 2629.35)(623.4495, 1284.96) 1 621.4379 621.4379@4.003339 + 424.3462@4.0103436 4.0103436 (425.3535, 2420.46)(426.3534, 944.12) 1 424.3462 424.3462@4.0103436 + 406.2982@4.0583754 4.0583754 (407.3054, 2899.33)(408.3073, 1424.46) 1 406.2982 406.2982@4.0583754 + 769.8854@4.059376 4.059376 (770.8927, 1193.15) 1 769.8854 769.8854@4.059376 + 770.2168@4.061377 4.061377 (771.2241, 1283.43) 1 770.2168 770.2168@4.061377 + 449.2831@4.0723844 4.0723844 (450.2904, 8847.71)(451.2931, 3154.8)(452.297, 777.34) 1 449.2831 449.2831@4.0723844 + 650.4599@4.0943985 4.0943985 (651.4672, 1548.97)(652.4714, 1059.15) 1 650.4599 650.4599@4.0943985 + 657.4679@4.11241 4.11241 (658.4751, 2056.0)(659.4775, 1042.69) 1 657.4679 657.4679@4.11241 + 643.4516@4.15944 4.15944 (644.4589, 1726.92)(645.4619, 1204.26) 1 643.4516 643.4516@4.15944 + 431.3628@4.174449 4.174449 (432.37, 1874.51)(433.3685, 847.52) 1 431.3628 431.3628@4.174449 + 275.261@4.177451 4.177451 (276.2682, 2783.51)(277.2697, 865.63) 1 275.261 275.261@4.177451 + 491.3613@4.2084703 4.2084703 (492.3686, 3178.28) 1 491.3613 491.3613@4.2084703 + 164.0223@4.227641 4.227641 (165.02936, 1852.48)(182.0565, 809.31) 2 164.0223 164.0223@4.227641 + 247.2292@4.2454934 4.2454934 (248.2365, 1986.34)(249.2393, 724.99) 1 247.2292 247.2292@4.2454934 + 345.3229@4.270509 4.270509 (346.3302, 4040.53)(347.3308, 1252.05) 1 345.3229 345.3229@4.270509 + 413.4233@4.2843475 4.2843475 (414.4297, 1949.72)(415.4331, 613.09) 2 413.4233 413.4233@4.2843475 + 243.2193@4.3215394 4.3215394 (244.2266, 4809.01)(245.2288, 884.58) 1 243.2193 243.2193@4.3215394 + 694.4845@4.3775725 4.3775725 (695.4918, 1338.49)(696.503, 821.62) 1 694.4845 694.4845@4.3775725 + 273.2656@4.3925815 4.3925815 (274.2729, 1100.09) 1 273.2656 273.2656@4.3925815 + 576.9185@4.4526157 4.4526157 (577.9258, 2074.66)(578.9233, 948.44) 1 576.9185 576.9185@4.4526157 + 558.893@4.4596195 4.4596195 (559.9003, 1301.88) 1 558.893 558.893@4.4596195 + 547.8932@4.4616213 4.4616213 (548.9004, 1534.05) 1 547.8932 547.8932@4.4616213 + 598.9329@4.5976954 4.5976954 (599.9402, 2027.6) 1 598.9329 598.9329@4.5976954 + 556.2804@4.6197076 4.6197076 (557.2882, 1175.57)(579.2694, 2292.55) 1 556.2804 556.2804@4.6197076 + 654.5584@4.622709 4.622709 (655.5657, 1271.96)(656.5647, 869.11) 1 654.5584 654.5584@4.622709 + 501.767@4.6649623 4.6649623 (502.7741, 16295.345)(503.7779, 1470.3)(504.77216, 14987.779)(505.77594, 1499.115)(506.77063, 4394.7246)(507.7756, 160.78) 2 501.767 501.767@4.6649623 + 617.4283@4.7017493 4.7017493 (618.4355, 1061.87)(619.4412, 930.23) 1 617.4283 617.4283@4.7017493 + 788.5156@4.7669816 4.7669816 (789.5226, 2921.6523)(811.5026, 1496.56) 4 788.5156 788.5156@4.7669816 + 836.5299@4.7667813 4.7667813 (837.5371, 1744.83)(838.5402, 1019.15) 1 836.5299 836.5299@4.7667813 + 421.859@4.872831 4.872831 (422.8663, 1746.57) 1 421.859 421.859@4.872831 + 646.9442@4.995884 4.995884 (647.9515, 1435.08) 1 646.9442 646.9442@4.995884 + 678.9883@5.0288973 5.0288973 (679.9956, 1042.58) 1 678.9883 678.9883@5.0288973 + 668.9583@5.0919223 5.0919223 (669.9656, 1687.93) 1 668.9583 668.9583@5.0919223 + 1315.9136@5.093923 5.093923 (1316.9209, 1595.0)(1317.9255, 1076.34) 1 1315.9136 1315.9136@5.093923 + 821.5409@5.266983 5.266983 (822.5482, 1227.67)(823.5524, 702.6) 1 821.5409 821.5409@5.266983 + 771.5404@5.311997 5.311997 (772.5476, 1275.33) 1 771.5404 771.5404@5.311997 + 209.0724@5.3240004 5.3240004 (210.0798, 7751.97)(211.0825, 842.62)(232.061, 1182.23) 1 209.0724 209.0724@5.3240004 + 1242.8236@5.388598 5.388598 (1243.8323, 1527.265) 2 1242.8236 1242.8236@5.388598 + 1675.1154@5.403767 5.403767 (1676.116, 735.83496)(1677.1096, 850.61)(1678.1128, 729.32)(1658.1124, 1099.53)(1659.1213, 847.39)(1660.123, 3388.77)(1661.1283, 3634.17) 2 1675.1154 1675.1154@5.403767 + 1257.8466@5.397021 5.397021 (1258.8539, 2188.74)(1259.8582, 1542.15)(1260.8341, 1162.04) 1 1257.8466 1257.8466@5.397021 + 1622.1111@5.422073 5.422073 (1623.1191, 3429.332)(1624.1257, 2513.0)(1625.1332, 2008.4) 5 1622.1111 1622.1111@5.422073 + 1636.6221@5.432505 5.432505 (1637.6322, 2145.4438)(1638.634, 1097.9424)(1639.6349, 872.8825) 5 1636.6221 1636.6221@5.432505 + 801.0898@5.428029 5.428029 (802.0971, 2710.91)(803.1124, 1991.61) 1 801.0898 801.0898@5.428029 + 729.4588@5.451883 5.451883 (730.4639, 1490.2999)(731.4669, 1030.215)(732.4792, 1943.06) 3 729.4588 729.4588@5.451883 + 1629.6228@5.4410324 5.4410324 (1630.6301, 954.89)(1631.6217, 546.1)(1632.6187, 959.53) 1 1629.6228 1629.6228@5.4410324 + 1242.8424@5.4607973 5.4607973 (1243.8411, 1804.49)(1244.8407, 1444.1825)(1245.836, 2104.99)(1246.8368, 1737.31)(1247.8367, 1721.68)(1225.8422, 3351.9)(1226.8419, 2665.81) 5 1242.8424 1242.8424@5.4607973 + 872.6541@5.464038 5.464038 (873.6613, 891.35)(874.6575, 465.53) 1 872.6541 872.6541@5.464038 + 796.5796@5.475325 5.475325 (797.5872, 25797.404)(798.5847, 16048.7)(799.5867, 7892.1)(814.6097, 29248.85)(815.611, 19734.97) 3 796.5796 796.5796@5.475325 + 847.5471@5.466038 5.466038 (848.5544, 10629.19)(849.5613, 6079.18) 1 847.5471 847.5471@5.466038 + 1223.8606@5.5354705 5.5354705 (1224.8618, 1939.4851)(1225.8575, 1082.28) 2 1223.8606 1223.8606@5.5354705 + 1564.6254@5.531912 5.531912 (1565.6324, 2714.548)(1566.6378, 1698.4541)(1567.6328, 1208.64) 5 1564.6254 1564.6254@5.531912 + 1310.8726@5.5270524 5.5270524 (1311.8799, 1798.67)(1312.8864, 1355.26) 1 1310.8726 1310.8726@5.5270524 + 799.0536@5.5280523 5.5280523 (800.0609, 1926.31) 1 799.0536 799.0536@5.5280523 + 1570.1663@5.552081 5.552081 (1571.1736, 2997.0457)(1572.1816, 1938.7175)(1573.1885, 1230.02) 5 1570.1663 1570.1663@5.552081 + 847.6401@5.5860643 5.5860643 (848.6455, 3531.72)(830.637, 10030.76)(831.6405, 4677.92)(832.6386, 3362.29) 1 847.6401 847.6401@5.5860643 + 1236.8569@5.5907216 5.5907216 (1237.8633, 2019.2)(1238.8627, 1386.06)(1239.8639, 580.01) 2 1236.8569 1236.8569@5.5907216 + 918.5739@5.5900645 5.5900645 (919.5812, 4134.43)(920.5831, 3204.69) 1 918.5739 918.5739@5.5900645 + 1236.351@5.5974836 5.5974836 (1237.3596, 3058.44)(1238.3623, 1288.4)(1239.3622, 1254.3049) 2 1236.351 1236.351@5.5974836 + 1249.8645@5.601555 5.601555 (1250.871, 1674.7867)(1251.8722, 648.985)(1252.8717, 497.6)(1272.8555, 739.88) 3 1249.8645 1249.8645@5.601555 + 1320.3406@5.6064377 5.6064377 (1321.3477, 1684.29)(1322.3529, 1062.3301)(1323.3635, 930.6)(1324.3711, 560.79) 3 1320.3406 1320.3406@5.6064377 + 1333.3563@5.612069 5.612069 (1334.3636, 766.15)(1335.3607, 1043.33)(1336.3712, 776.54) 1 1333.3563 1333.3563@5.612069 + 1625.1158@5.6099844 5.6099844 (1626.1221, 974.78503)(1627.1345, 1143.265)(1628.1384, 718.33) 2 1625.1158 1625.1158@5.6099844 + 1639.1353@5.6150694 5.6150694 (1640.1425, 1013.64)(1641.1493, 786.09)(1642.1561, 889.55) 1 1639.1353 1639.1353@5.6150694 + 1589.139@5.61907 5.61907 (1590.1462, 762.35)(1591.148, 739.15)(1592.1565, 1662.96)(1593.1599, 1730.14) 1 1589.139 1589.139@5.61907 + 1333.8552@5.6194277 5.6194277 (1334.8645, 1531.0825)(1335.8682, 1025.88)(1336.8722, 816.13007) 4 1333.8552 1333.8552@5.6194277 + 652.4138@5.621808 5.621808 (1305.8337, 1972.5349)(1306.8364, 1895.83)(1307.8425, 1716.3)(1327.8181, 858.13)(1328.8253, 841.08)(1329.8267, 695.59)(653.4207, 995.76) 2 652.4138 652.4138@5.621808 + 1273.8639@5.61733 5.61733 (1274.8704, 877.24)(1275.8762, 1053.3)(1276.8445, 650.01) 2 1273.8639 1273.8639@5.61733 + 1212.8698@5.634073 5.634073 (1213.8771, 1601.43)(1214.8835, 1299.7)(1215.8799, 1214.28) 1 1212.8698 1212.8698@5.634073 + 1180.3582@5.6350727 5.6350727 (1181.3654, 1360.0)(1182.3589, 906.43) 1 1180.3582 1180.3582@5.6350727 + 1212.3623@5.5721054 5.5721054 (1213.359, 1524.98)(1214.3556, 1819.12)(1215.3601, 1207.815)(1195.3539, 1205.79)(1196.3549, 855.6) 2 1212.3623 1212.3623@5.5721054 + 883.5259@5.6420736 5.6420736 (884.5331, 800.99)(885.5325, 542.71)(886.5388, 922.74) 1 883.5259 883.5259@5.6420736 + 1240.8785@5.649075 5.649075 (1241.8859, 1258.29)(1242.875, 993.88)(1243.865, 927.83) 1 1240.8785 1240.8785@5.649075 + 800.6116@5.687961 5.687961 (801.61865, 9056.5)(802.61804, 1309.04)(803.6252, 986.02) 4 800.6116 800.6116@5.687961 + 863.6365@5.688081 5.688081 (864.6438, 2607.11)(865.6474, 662.61)(866.6589, 485.9) 1 863.6365 863.6365@5.688081 + 892.5487@5.6902165 5.6902165 (893.5572, 4584.527)(894.56006, 3137.3933)(895.5601, 1045.34) 3 892.5487 892.5487@5.6902165 + 915.5206@5.747089 5.747089 (916.5279, 1028.45) 1 915.5206 915.5206@5.747089 + 835.0888@5.808095 5.808095 (836.096, 1665.7)(837.0788, 791.22) 1 835.0888 835.0888@5.808095 + 1202.379@5.8150954 5.8150954 (1203.3864, 1122.26) 1 1202.379 1202.379@5.8150954 + 862.5545@5.8239 5.8239 (863.5617, 3778.12)(864.5675, 4206.635)(865.57245, 1830.435) 3 862.5545 862.5545@5.8239 + 989.101@5.818096 5.818096 (990.1083, 1392.92)(991.114, 925.56) 1 989.101 989.101@5.818096 + 988.591@5.827548 5.827548 (989.60345, 1206.6525)(990.6094, 1123.0525)(1006.62225, 2620.565)(1007.625, 1574.855)(1008.63696, 4984.87)(1009.6406, 2786.7349)(1010.6428, 836.565) 4 988.591 988.591@5.827548 + 833.4799@5.821815 5.821815 (834.48584, 1785.355)(835.48694, 896.49) 2 833.4799 833.4799@5.821815 + 927.5954@5.8321176 5.8321176 (928.5986, 1260.3033)(929.59894, 1071.055)(930.6041, 1055.082) 6 927.5954 927.5954@5.8321176 + 664.2908@5.831097 5.831097 (665.2981, 1908.28) 1 664.2908 664.2908@5.831097 + 904.5956@5.835162 5.835162 (905.6024, 2275.6719)(906.6045, 851.4325)(907.5993, 919.64996) 5 904.5956 904.5956@5.835162 + 971.5799@5.8390975 5.8390975 (972.5872, 1687.21)(973.589, 994.55) 1 971.5799 971.5799@5.8390975 + 462.2957@5.854099 5.854099 (463.303, 731.63) 1 462.2957 462.2957@5.854099 + 1235.8705@5.854099 5.854099 (1236.8778, 1099.99) 1 1235.8705 1235.8705@5.854099 + 835.0928@5.856099 5.856099 (836.1001, 1303.02)(837.0836, 922.41) 1 835.0928 835.0928@5.856099 + 1234.3641@5.836355 5.836355 (1235.3717, 1265.265)(1236.3748, 1965.99) 2 1234.3641 1234.3641@5.836355 + 617.309@5.943656 5.943656 (618.3164, 1633.6526)(619.3259, 844.76)(620.3362, 961.53) 4 617.309 617.309@5.943656 + 933.5181@5.9549155 5.9549155 (934.5282, 1025.43)(935.5334, 949.555)(936.5514, 1356.505)(956.5027, 1285.01)(957.5108, 1045.17)(958.5145, 991.54) 2 933.5181 933.5181@5.9549155 + 1029.5977@5.952103 5.952103 (1030.605, 1330.99)(1031.6342, 868.0) 1 1029.5977 1029.5977@5.952103 + 863.5105@5.953103 5.953103 (864.5177, 2461.17)(865.5185, 1600.98)(866.5277, 6669.01)(867.5316, 3278.7)(868.5339, 1948.53) 1 863.5105 863.5105@5.953103 + 795.6114@5.931648 5.931648 (796.61816, 1552.6918)(797.61774, 1006.0334) 6 795.6114 795.6114@5.931648 + 835.6049@5.9551034 5.9551034 (836.6122, 3380.12)(837.6176, 1699.54)(838.6222, 1615.77) 1 835.6049 835.6049@5.9551034 + 814.6275@5.9561033 5.9561033 (815.6348, 8796.59)(816.6353, 2748.1)(817.6338, 660.41) 1 814.6275 814.6275@5.9561033 + 554.9992@5.985262 5.985262 (556.00653, 1103.985) 2 554.9992 554.9992@5.985262 + 765.5615@6.1700964 6.1700964 (766.5687, 1576.15)(767.5651, 886.88)(768.5838, 1121.44) 1 765.5615 765.5615@6.1700964 + 903.5884@6.181469 6.181469 (904.59656, 1217.8301)(905.6001, 687.68005)(906.5807, 608.93) 2 903.5884 903.5884@6.181469 + 102.0794@6.2040935 6.2040935 (103.0867, 12121.65) 1 102.0794 102.0794@6.2040935 + 353.9236@6.2150917 6.2150917 (354.9309, 1523.92)(355.9209, 516.0) 1 353.9236 353.9236@6.2150917 + 606.4237@6.2200913 6.2200913 (607.431, 1362.63) 1 606.4237 606.4237@6.2200913 + 650.4002@6.3090796 6.3090796 (651.4075, 1324.79)(652.4149, 886.39) 1 650.4002 650.4002@6.3090796 + 593.3684@6.312949 6.312949 (594.3755, 5074.6)(595.3782, 1981.575)(596.3759, 780.98)(616.3587, 1665.6201)(617.3771, 953.26) 2 593.3684 593.3684@6.312949 + 301.2257@6.3700686 6.3700686 (302.233, 2772.41)(303.2327, 1073.89) 1 301.2257 301.2257@6.3700686 + 719.4722@6.4650474 6.4650474 (720.4795, 1088.52)(721.4829, 727.88) 1 719.4722 719.4722@6.4650474 + 726.5659@6.5545893 6.5545893 (727.57324, 1387.75)(728.5824, 943.02) 2 726.5659 726.5659@6.5545893 + 645.31@6.6110053 6.6110053 (646.3173, 4435.84)(647.3192, 1916.86)(648.3227, 2193.73) 1 645.31 645.31@6.6110053 + 205.0854@6.628999 6.628999 (206.0927, 1964.99)(228.0745, 3094.47) 1 205.0854 205.0854@6.628999 + 1114.6877@6.632998 6.632998 (1115.695, 2338.49)(1116.7012, 997.33)(1117.7104, 975.65) 1 1114.6877 1114.6877@6.632998 + 1267.8772@6.633998 6.633998 (1268.8845, 1460.78)(1269.8893, 797.16)(1270.8926, 640.45) 1 1267.8772 1267.8772@6.633998 + 897.5182@6.6429944 6.6429944 (898.5255, 1143.1)(899.5304, 885.42) 1 897.5182 897.5182@6.6429944 + 710.3828@6.647993 6.647993 (711.39, 1743.37)(712.4041, 980.04)(713.4064, 901.02) 1 710.3828 710.3828@6.647993 + 886.5276@6.6529913 6.6529913 (887.5349, 1408.67)(888.5442, 686.65)(889.5425, 421.56) 1 886.5276 886.5276@6.6529913 + 632.9308@6.6914096 6.6914096 (633.93896, 1644.2151) 2 632.9308 632.9308@6.6914096 + 1124.6257@6.70814 6.70814 (1125.6337, 2203.5166)(1126.6418, 1657.98) 3 1124.6257 1124.6257@6.70814 + 1114.1342@6.7149677 6.7149677 (1115.1445, 1627.21)(1116.148, 1251.9)(1117.1556, 1339.07)(1132.165, 1312.6)(1133.1635, 1195.55)(1134.1602, 1573.19)(1135.1653, 577.37)(1136.1774, 592.67) 1 1114.1342 1114.1342@6.7149677 + 554.3893@6.724372 6.724372 (555.39606, 23063.79)(556.39795, 4540.1104)(557.4098, 1682.145) 2 554.3893 554.3893@6.724372 + 1335.3315@6.736952 6.736952 (1336.3413, 2411.62)(1337.3516, 2719.1099)(1338.357, 3080.115) 2 1335.3315 1335.3315@6.736952 + 829.5135@6.73396 6.73396 (830.5208, 3719.17)(831.5247, 1771.8) 1 829.5135 829.5135@6.73396 + 1110.1866@6.7566924 6.7566924 (1111.1943, 1790.9121)(1112.203, 2249.08)(1113.2073, 1501.9651) 5 1110.1866 1110.1866@6.7566924 + 552.3261@6.774943 6.774943 (553.3333, 2243.0)(554.3391, 1517.92) 1 552.3261 552.3261@6.774943 + 1075.1681@6.77555 6.77555 (1076.1768, 2758.405) 2 1075.1681 1075.1681@6.77555 + 1054.6918@6.7789416 6.7789416 (1055.6991, 17137.29)(1056.7019, 10001.52)(1057.6956, 5182.05) 1 1054.6918 1054.6918@6.7789416 + 1313.8472@6.7879376 6.7879376 (1314.8545, 1767.32) 1 1313.8472 1313.8472@6.7879376 + 491.3014@6.793817 6.793817 (492.30853, 2952.15) 2 491.3014 491.3014@6.793817 + 1104.6375@6.7999325 6.7999325 (1105.6448, 2004.8)(1106.6552, 1218.85) 1 1104.6375 1104.6375@6.7999325 + 516.3205@6.8008404 6.8008404 (517.32117, 6071.1523) 4 516.3205 516.3205@6.8008404 + 513.2835@6.8798947 6.8798947 (514.2908, 2537.11)(515.2952, 988.41) 1 513.2835 513.2835@6.8798947 + 543.3303@7.1397443 7.1397443 (544.3376, 2921.56)(545.3399, 980.31) 1 543.3303 543.3303@7.1397443 + 825.5626@7.1457405 7.1457405 (826.5699, 1627.67)(827.5644, 960.23)(828.5627, 945.31) 1 825.5626 825.5626@7.1457405 + 977.6416@7.155404 7.155404 (978.6491, 1037.7949)(979.6509, 810.975) 2 977.6416 977.6416@7.155404 + 262.0099@7.1745405 7.1745405 (263.01715, 1287.505)(284.99884, 1343.9) 2 262.0099 262.0099@7.1745405 + 521.9944@7.818329 7.818329 (523.0014, 1729.7401) 3 521.9944 521.9944@7.818329 + 371.0689@0.76688135 0.76688135 (372.0762, 1273.26) 1 371.0689 371.0689@0.76688135 + 671.5742@1.0299237 1.0299237 (672.5753, 1352.2849) 2 671.5742 671.5742@1.0299237 + 1443.3914@1.0463845 1.0463845 (1444.3983, 2275.25)(1445.3978, 1827.605) 2 1443.3914 1443.3914@1.0463845 + 402.2973@1.054355 1.054355 (403.3049, 2711.87)(420.33142, 13671.154)(421.331, 6494.045) 2 402.2973 402.2973@1.054355 + 324.2997@1.0667403 1.0667403 (325.30847, 1122.925) 2 324.2997 324.2997@1.0667403 + 496.3709@1.0657908 1.0657908 (497.3756, 2106.53)(479.3676, 2298.44)(514.4059, 4647.01) 1 496.3709 496.3709@1.0657908 + 718.5499@1.0637693 1.0637693 (719.55615, 1337.67)(720.5608, 1128.75) 2 718.5499 718.5499@1.0637693 + 706.4966@1.0697894 1.0697894 (707.5038, 858.37)(708.5261, 1416.68) 1 706.4966 706.4966@1.0697894 + 579.2831@1.0697894 1.0697894 (580.2903, 3685.28)(581.294, 1938.34) 1 579.2831 579.2831@1.0697894 + 1132.3048@1.0708001 1.0708001 (1133.312, 10074.76)(1134.3112, 4752.875)(1135.3113, 1989.21)(1136.3093, 549.73) 2 1132.3048 1132.3048@1.0708001 + 595.2782@1.0707891 1.0707891 (596.2854, 743.73)(597.2906, 672.69)(598.2754, 1369.93) 1 595.2782 595.2782@1.0707891 + 649.5072@1.0717888 1.0717888 (650.5145, 2164.92)(651.5117, 1630.19) 1 649.5072 649.5072@1.0717888 + 415.2518@1.0747877 1.0747877 (416.2591, 3721.47)(417.26, 1679.39) 1 415.2518 415.2518@1.0747877 + 228.1732@1.0757873 1.0757873 (229.1815, 1084.71)(211.1688, 1570.73)(251.163, 2171.49)(252.1616, 787.97) 1 228.1732 228.1732@1.0757873 + 585.3835@1.0786769 1.0786769 (586.39124, 4152.245) 2 585.3835 585.3835@1.0786769 + 693.4761@1.0761571 1.0761571 (694.48364, 1535.3766)(695.4832, 1328.385) 3 693.4761 693.4761@1.0761571 + 786.4948@1.076787 1.076787 (787.5025, 1099.27)(788.5016, 733.36)(789.49, 1108.56)(809.4828, 576.58) 1 786.4948 786.4948@1.076787 + 489.3695@1.0807855 1.0807855 (490.3768, 5663.38) 1 489.3695 489.3695@1.0807855 + 724.5156@1.0817852 1.0817852 (725.5217, 1146.0)(742.5511, 1398.96)(743.5479, 843.68) 1 724.5156 724.5156@1.0817852 + 290.1058@1.0818797 1.0818797 (291.113, 5329.5366)(292.11914, 1456.2799)(293.1188, 787.54) 3 290.1058 290.1058@1.0818797 + 754.5055@1.084784 1.084784 (755.5127, 1305.11) 1 754.5055 754.5055@1.084784 + 701.6628@1.0907818 1.0907818 (702.6701, 1262.57) 1 701.6628 701.6628@1.0907818 + 547.4892@1.0937808 1.0937808 (548.4965, 889.17)(549.511, 603.39) 1 547.4892 547.4892@1.0937808 + 339.1684@1.0974654 1.0974654 (340.17593, 2929.2314)(341.1693, 1293.28)(357.2046, 1401.93)(358.2031, 1159.17)(359.213, 3100.85) 8 339.1684 339.1684@1.0974654 + 309.2319@1.1027776 1.1027776 (310.2392, 1326.45) 1 309.2319 309.2319@1.1027776 + 425.1826@1.1027776 1.1027776 (426.187, 1406.9)(408.1804, 4732.03)(409.1831, 2253.42) 1 425.1826 425.1826@1.1027776 + 74.0368@1.1077757 1.1077757 (75.044, 1599.08) 1 74.0368 74.0368@1.1077757 + 533.2479@1.109775 1.109775 (534.2552, 1410.01)(535.2729, 920.62) 1 533.2479 533.2479@1.109775 + 730.626@1.109775 1.109775 (731.6333, 1309.63)(732.6228, 924.57) 1 730.626 730.626@1.109775 + 363.1557@1.1101614 1.1101614 (364.1626, 3222.95)(365.157, 1112.74) 2 363.1557 363.1557@1.1101614 + 337.1387@1.1191561 1.1191561 (338.14536, 4005.71)(339.1451, 1489.735) 2 337.1387 337.1387@1.1191561 + 369.2109@1.1109085 1.1109085 (370.21887, 2746.345) 2 369.2109 369.2109@1.1109085 + 773.5473@1.125769 1.125769 (774.5546, 1462.87) 1 773.5473 773.5473@1.125769 + 464.2669@1.1318678 1.1318678 (465.27576, 1668.5801)(466.2849, 1188.26)(467.258, 875.29)(487.2562, 718.69) 2 464.2669 464.2669@1.1318678 + 510.4425@1.1327664 1.1327664 (511.4498, 1132.89) 1 510.4425 510.4425@1.1327664 + 558.3131@1.1387641 1.1387641 (559.3204, 735.14) 1 558.3131 558.3131@1.1387641 + 689.5471@1.1476548 1.1476548 (690.5577, 2195.72)(691.5675, 1468.53) 2 689.5471 689.5471@1.1476548 + 672.5434@1.1468084 1.1468084 (673.54663, 2974.7998) 2 672.5434 672.5434@1.1468084 + 507.321@1.151759 1.151759 (508.3283, 3134.34)(509.3359, 1833.34) 1 507.321 507.321@1.151759 + 427.3761@1.1537584 1.1537584 (428.3833, 3245.08)(429.3815, 1278.72) 1 427.3761 427.3761@1.1537584 + 332.1982@1.1627549 1.1627549 (333.2055, 5518.81) 1 332.1982 332.1982@1.1627549 + 398.3008@1.1986346 1.1986346 (399.31143, 4990.5767)(400.3099, 6673.6)(401.3079, 3878.94) 6 398.3008 398.3008@1.1986346 + 155.0948@1.2186024 1.2186024 (156.1021, 8852.1)(157.0984, 1766.5449) 2 155.0948 155.0948@1.2186024 + 182.0709@1.2207317 1.2207317 (183.0781, 5870.45) 1 182.0709 182.0709@1.2207317 + 508.3086@1.2367251 1.2367251 (509.3159, 2839.97) 1 508.3086 508.3086@1.2367251 + 456.3247@1.2407235 1.2407235 (457.3319, 2382.02) 1 456.3247 456.3247@1.2407235 + 432.2393@1.2457215 1.2457215 (433.2465, 2003.51)(450.2731, 2216.51) 1 432.2393 432.2393@1.2457215 + 280.1318@1.24872 1.24872 (281.1392, 5235.52)(282.1431, 2017.17)(298.1655, 5608.3) 1 280.1318 280.1318@1.24872 + 370.2337@1.2547176 1.2547176 (758.5055, 657.53)(371.242, 2272.84)(353.2303, 10729.07) 1 370.2337 370.2337@1.2547176 + 465.2739@1.2567167 1.2567167 (466.2812, 2260.04)(467.2721, 1274.48) 1 465.2739 465.2739@1.2567167 + 427.3746@1.2567167 1.2567167 (428.3819, 2983.25)(429.382, 1033.9) 1 427.3746 427.3746@1.2567167 + 754.6397@1.2567167 1.2567167 (755.647, 5723.75)(756.6467, 2494.68) 1 754.6397 754.6397@1.2567167 + 784.6179@1.2577163 1.2577163 (785.6222, 1355.85)(786.6264, 1119.59)(787.6344, 1053.17)(807.6114, 1194.22) 1 784.6179 784.6179@1.2577163 + 791.6048@1.2597154 1.2597154 (792.6121, 1877.7)(793.6281, 1567.68) 1 791.6048 791.6048@1.2597154 + 511.4206@1.2617146 1.2617146 (512.4279, 8109.17)(513.4302, 1838.73)(514.4379, 1113.68) 1 511.4206 511.4206@1.2617146 + 630.4764@1.2644172 1.2644172 (631.4865, 1767.95)(632.4913, 1080.395)(633.4804, 2191.39) 2 630.4764 630.4764@1.2644172 + 286.1927@1.2120819 1.2120819 (287.19913, 2743.42) 3 286.1927 286.1927@1.2120819 + 580.5@1.2647134 1.2647134 (581.5073, 8698.08)(582.5237, 3073.95)(583.504, 6700.15) 1 580.5 580.5@1.2647134 + 614.47@1.2647134 1.2647134 (615.4772, 3963.19)(616.4664, 3135.59)(617.4853, 6557.88)(618.4818, 3195.99)(619.5011, 11157.57) 1 614.47 614.47@1.2647134 + 316.2764@1.2663369 1.2663369 (317.284, 1798.99)(318.2822, 696.765)(334.3099, 8999.38) 2 316.2764 316.2764@1.2663369 + 722.535@1.3302039 1.3302039 (723.54456, 2748.2544)(724.54443, 1067.822) 7 722.535 722.535@1.3302039 + 382.2807@1.3276857 1.3276857 (383.2879, 1876.82) 1 382.2807 382.2807@1.3276857 + 508.3541@1.3169967 1.3169967 (509.3571, 2968.24)(510.36322, 2371.12) 3 508.3541 508.3541@1.3169967 + 271.1795@1.4826115 1.4826115 (272.1868, 5048.3)(273.1914, 818.18) 1 271.1795 271.1795@1.4826115 + 297.2127@1.4956049 1.4956049 (298.22, 3490.45)(299.2265, 1454.17) 1 297.2127 297.2127@1.4956049 + 124.0888@1.5394497 1.5394497 (125.09687, 3619.2334)(107.084, 5087.82)(142.1224, 13977.433)(143.12444, 1260.5133) 3 124.0888 124.0888@1.5394497 + 298.2223@1.5525748 1.5525748 (299.2296, 2933.38) 1 298.2223 298.2223@1.5525748 + 239.1535@1.5573533 1.5573533 (240.16049, 7309.23)(241.15945, 1478.915) 2 239.1535 239.1535@1.5573533 + 471.2374@1.5975502 1.5975502 (472.2447, 2118.97)(473.2449, 811.94) 1 471.2374 471.2374@1.5975502 + 390.9845@1.6587946 1.6587946 (391.99185, 1841.23) 2 390.9845 390.9845@1.6587946 + 225.1727@1.6813356 1.6813356 (226.1767, 3200.67)(227.1718, 685.93)(208.1687, 835.89)(243.2067, 10152.23)(244.2087, 2182.61) 2 225.1727 225.1727@1.6813356 + 614.4777@1.7484612 1.7484612 (615.485, 3154.51)(616.4797, 989.78) 1 614.4777 614.4777@1.7484612 + 284.1244@1.7685263 1.7685263 (285.13184, 2687.5)(286.1325, 1048.065) 2 284.1244 284.1244@1.7685263 + 591.4699@1.6851939 1.6851939 (592.4777, 1321.2849)(593.4788, 944.87665) 4 591.4699 591.4699@1.6851939 + 284.202@1.8144195 1.8144195 (285.2097, 6202.92)(286.211, 1445.96)(307.1887, 1234.58) 1 284.202 284.202@1.8144195 + 940.5365@1.8703825 1.8703825 (941.5438, 1763.78) 1 940.5365 940.5365@1.8703825 + 379.0879@1.9043593 1.9043593 (380.0952, 1034.27) 1 379.0879 379.0879@1.9043593 + 341.1915@2.2890604 2.2890604 (342.1988, 2039.48) 1 341.1915 341.1915@2.2890604 + 1199.0739@2.7096503 2.7096503 (1200.081, 1209.47) 1 1199.0739 1199.0739@2.7096503 + 80.0263@2.8116095 2.8116095 (81.0334, 2036.63) 2 80.0263 80.0263@2.8116095 + 295.1076@2.808622 2.808622 (296.11505, 5032.845)(318.0986, 632.0) 2 295.1076 295.1076@2.808622 + 334.0994@3.053245 3.053245 (335.1067, 2236.74) 1 334.0994 334.0994@3.053245 + 680.124@3.0463903 3.0463903 (681.13196, 1250.715) 2 680.124 680.124@3.0463903 + 265.107@3.781156 3.781156 (266.1142, 4345.08) 1 265.107 265.107@3.781156 + 314.1842@4.0197253 4.0197253 (315.1915, 3463.42)(316.1949, 648.1) 1 314.1842 314.1842@4.0197253 + 653.8009@4.0789275 4.0789275 (654.8084, 1816.6559) 5 653.8009 653.8009@4.0789275 + 731.1903@4.0902004 4.0902004 (732.19727, 1529.5433) 3 731.1903 731.1903@4.0902004 + 1007.601@4.571577 4.571577 (1008.6082, 1347.21) 1 1007.601 1007.601@4.571577 + 537.8568@4.62246 4.62246 (538.8641, 1335.64) 1 537.8568 537.8568@4.62246 + 943.582@4.630555 4.630555 (944.5904, 2876.9824)(945.6051, 796.745)(961.61206, 1026.3567)(962.6, 954.61)(966.5691, 618.15) 4 943.582 943.582@4.630555 + 324.2772@4.681322 4.681322 (325.2845, 1492.0)(326.2997, 520.02) 1 324.2772 324.2772@4.681322 + 938.5113@4.721227 4.721227 (939.5186, 587.11)(940.5187, 636.11) 1 938.5113 938.5113@4.721227 + 916.5267@4.7242203 4.7242203 (917.534, 1725.78)(918.5351, 1033.18) 1 916.5267 916.5267@4.7242203 + 885.5413@4.7309446 4.7309446 (886.5492, 1964.6599)(887.5586, 1039.875) 2 885.5413 885.5413@4.7309446 + 589.4093@4.7920556 4.7920556 (590.4166, 3309.67) 1 589.4093 589.4093@4.7920556 + 368.3754@4.839937 4.839937 (369.3827, 2034.84) 1 368.3754 368.3754@4.839937 + 747.5072@4.8558974 4.8558974 (748.5126, 998.04)(749.5155, 803.03)(730.5054, 2197.0)(731.5053, 1314.84)(770.4945, 1358.15)(771.4911, 1150.4) 1 747.5072 747.5072@4.8558974 + 113.0839@5.1810427 5.1810427 (114.0911, 18130.88)(115.0884, 1543.87) 1 113.0839 113.0839@5.1810427 + 704.9866@5.181567 5.181567 (705.9929, 877.695) 2 704.9866 704.9866@5.181567 + 754.3908@5.3774843 5.3774843 (755.3982, 1244.01)(737.3873, 956.81)(738.3884, 620.95) 1 754.3908 754.3908@5.3774843 + 934.6416@5.4044056 5.4044056 (935.6489, 1616.91)(936.6492, 1676.98) 1 934.6416 934.6416@5.4044056 + 987.6554@5.405403 5.405403 (988.6627, 1109.35)(989.6762, 736.02)(990.6487, 673.83) 1 987.6554 987.6554@5.405403 + 965.63@5.409391 5.409391 (966.6368, 2136.82)(967.6449, 1077.82)(968.6522, 1534.6)(948.6273, 1257.46) 1 965.63 965.63@5.409391 + 745.4541@5.410388 5.410388 (746.4674, 794.04)(728.4501, 3093.52)(729.4531, 1487.19) 1 745.4541 745.4541@5.410388 + 968.6518@5.412382 5.412382 (969.659, 865.77)(970.6642, 1030.24) 1 968.6518 968.6518@5.412382 + 1671.115@5.4291897 5.4291897 (1672.1171, 877.73)(1673.1066, 718.12)(1674.113, 803.15)(1654.1147, 1233.48)(1655.118, 1175.67)(1656.1324, 1347.74)(1657.1345, 932.48)(1658.1323, 1383.76) 2 1671.115 1671.115@5.4291897 + 955.5597@5.4402995 5.4402995 (956.5669, 1864.0)(957.5689, 1183.47) 1 955.5597 955.5597@5.4402995 + 420.3003@5.442293 5.442293 (421.3076, 3438.24) 1 420.3003 420.3003@5.442293 + 1683.0913@5.4492726 5.4492726 (1684.0985, 401.63)(1685.1024, 784.51)(1686.1091, 889.08) 1 1683.0913 1683.0913@5.4492726 + 1608.1339@5.4502697 5.4502697 (1609.1411, 6447.51)(1610.1416, 4062.18)(1611.1357, 1987.34) 1 1608.1339 1608.1339@5.4502697 + 1161.8018@5.44051 5.44051 (1162.8086, 2402.45)(1163.8125, 1520.2051)(1164.8167, 886.76)(1184.7874, 960.84)(1185.7958, 607.07) 2 1161.8018 1161.8018@5.44051 + 1639.6136@5.451267 5.451267 (1640.615, 454.91)(1641.6075, 642.69)(1642.6095, 418.82)(1622.6151, 594.34)(1623.6135, 651.39)(1624.6075, 1106.14)(1625.612, 926.8)(1626.6189, 909.83) 1 1639.6136 1639.6136@5.451267 + 1668.1013@5.452264 5.452264 (1669.1086, 1210.15)(1670.108, 1345.88)(1671.1116, 1320.59) 1 1668.1013 1668.1013@5.452264 + 1615.1122@5.4512405 5.4512405 (1616.1177, 1235.955)(1617.1221, 1726.585)(1618.1033, 2047.115)(1619.1003, 1930.69)(1620.1075, 1479.58) 2 1615.1122 1615.1122@5.4512405 + 922.6601@5.452559 5.452559 (923.6682, 1306.92)(924.6608, 1069.2334)(925.6717, 737.8) 3 922.6601 922.6601@5.452559 + 1270.8145@5.4901505 5.4901505 (1271.8218, 895.52)(1272.8282, 798.63)(1273.8243, 836.39) 1 1270.8145 1270.8145@5.4901505 + 833.5894@5.494138 5.494138 (834.5967, 120974.07)(835.6007, 59975.84)(836.6081, 33817.42) 1 833.5894 833.5894@5.494138 + 803.5409@5.4967537 5.4967537 (804.54865, 67422.25)(805.55273, 31210.184)(826.526, 9588.36)(827.5266, 5136.03) 2 803.5409 803.5409@5.4967537 + 1174.3203@5.499123 5.499123 (1175.3276, 2454.96)(1176.3333, 1568.78) 1 1174.3203 1174.3203@5.499123 + 1241.8198@5.5070987 5.5070987 (1242.8271, 1010.16) 1 1241.8198 1241.8198@5.5070987 + 955.685@5.51009 5.51009 (956.6922, 2052.36)(957.6969, 1402.63) 1 955.685 955.685@5.51009 + 1213.3346@5.4756727 5.4756727 (1214.3402, 2045.3414)(1215.335, 1903.9652)(1216.3365, 1877.5234) 7 1213.3346 1213.3346@5.4756727 + 1572.6149@5.5280347 5.5280347 (1573.6222, 1262.9) 1 1572.6149 1572.6149@5.5280347 + 1559.1355@5.5390015 5.5390015 (1560.1428, 2415.47)(1561.1449, 1736.07)(1562.1355, 1318.02) 1 1559.1355 1559.1355@5.5390015 + 1557.1313@5.5399985 5.5399985 (1558.1385, 1626.22) 1 1557.1313 1557.1313@5.5399985 + 1542.1394@5.5913534 5.5913534 (1543.1442, 3444.335)(1544.158, 11922.89)(1545.1625, 10335.89)(1546.1643, 2042.87) 2 1542.1394 1542.1394@5.5913534 + 1611.1063@5.5569468 5.5569468 (1612.1136, 1415.38)(1613.1147, 1315.47)(1614.1229, 1137.71) 1 1611.1063 1611.1063@5.5569468 + 1345.8491@5.568675 5.568675 (1346.855, 1169.4475)(1347.8564, 1118.3066)(1348.8608, 891.69995) 4 1345.8491 1345.8491@5.568675 + 905.0603@5.5769987 5.5769987 (906.06744, 2365.9043)(907.07184, 1144.8276)(928.04834, 2082.5967)(929.05316, 1368.9766)(930.0649, 964.0633) 9 905.0603 905.0603@5.5769987 + 1545.1602@5.5972075 5.5972075 (1546.1683, 3864.1584)(1547.1722, 2096.1743)(1548.1748, 980.5871) 7 1545.1602 1545.1602@5.5972075 + 565.4198@5.5896206 5.5896206 (566.42706, 1953.4733)(567.4287, 916.69336) 3 565.4198 565.4198@5.5896206 + 853.0435@5.598848 5.598848 (854.0509, 1132.5425)(855.05554, 1098.9225)(856.0574, 759.22) 4 853.0435 853.0435@5.598848 + 850.5578@5.6372023 5.6372023 (851.56335, 3572.18)(852.5575, 1133.895) 2 850.5578 850.5578@5.6372023 + 1196.3384@5.647664 5.647664 (1197.3457, 852.31)(1198.3442, 612.31)(1199.3514, 540.98) 1 1196.3384 1196.3384@5.647664 + 815.0592@5.667601 5.667601 (816.0665, 778.37) 1 815.0592 815.0592@5.667601 + 1263.8572@5.6705914 5.6705914 (1264.8645, 961.1)(1265.892, 673.25)(1266.895, 539.49) 1 1263.8572 1263.8572@5.6705914 + 899.5796@5.734387 5.734387 (900.5869, 1951.1)(901.5913, 1056.95) 1 899.5796 899.5796@5.734387 + 709.4389@5.772264 5.772264 (710.4461, 1115.88)(711.434, 661.92)(712.4549, 1942.62)(713.4561, 314.0)(714.4652, 819.22) 1 709.4389 709.4389@5.772264 + 676.4603@5.8270836 5.8270836 (677.4676, 1223.17) 1 676.4603 676.4603@5.8270836 + 992.5112@5.8320675 5.8320675 (993.5185, 1289.99)(994.5126, 671.44) 1 992.5112 992.5112@5.8320675 + 1388.7362@5.8428707 5.8428707 (1389.7437, 1337.485) 2 1388.7362 1388.7362@5.8428707 + 802.5746@5.836054 5.836054 (803.5819, 1738.06) 1 802.5746 802.5746@5.836054 + 629.3652@5.8378158 5.8378158 (630.3736, 1921.9102)(631.3804, 964.60254) 4 629.3652 629.3652@5.8378158 + 781.45@5.8417473 5.8417473 (782.4574, 2494.28)(783.4626, 979.98)(804.4359, 909.04) 2 781.45 781.45@5.8417473 + 772.4351@5.8457336 5.8457336 (773.4409, 2119.96)(774.4387, 1179.265) 2 772.4351 772.4351@5.8457336 + 741.354@5.849011 5.849011 (742.3613, 1723.89)(743.3568, 657.44)(744.3754, 1639.23) 1 741.354 741.354@5.849011 + 659.377@5.8621783 5.8621783 (660.3843, 1901.4)(661.39764, 915.65) 2 659.377 659.377@5.8621783 + 435.7508@5.8659544 5.8659544 (436.758, 1506.84) 1 435.7508 435.7508@5.8659544 + 651.384@5.873699 5.873699 (652.3915, 3911.2598)(653.3916, 1468.0801)(654.3923, 730.97) 2 651.384 651.384@5.873699 + 899.6321@5.9157863 5.9157863 (900.6393, 1083.11) 1 899.6321 899.6321@5.9157863 + 747.6841@5.9188538 5.9188538 (748.691, 955.735) 2 747.6841 747.6841@5.9188538 + 908.5146@5.9390297 5.9390297 (909.52124, 3911.5984)(910.52875, 3710.548)(911.5316, 1657.8801)(912.5369, 399.89) 6 908.5146 908.5146@5.9390297 + 759.4272@5.9606333 5.9606333 (760.4324, 433.45)(761.4562, 971.02)(742.4245, 5670.98)(743.4314, 2282.52)(744.405, 3185.93)(745.4067, 583.3) 1 759.4272 759.4272@5.9606333 + 731.4396@5.961389 5.961389 (732.4453, 5930.654)(733.4492, 2676.1467)(734.4497, 1495.6333) 3 731.4396 731.4396@5.961389 + 999.5159@5.9626265 5.9626265 (1000.5232, 1478.73)(1001.5225, 1142.81)(1002.5268, 1107.75)(1003.5324, 461.53) 1 999.5159 999.5159@5.9626265 + 976.5334@5.8970366 5.8970366 (977.53186, 1127.37)(978.5414, 1331.18)(979.541, 1457.31) 2 976.5334 976.5334@5.8970366 + 719.4718@5.965616 5.965616 (720.4791, 2976.31)(721.48, 619.28)(722.4979, 1119.34) 1 719.4718 719.4718@5.965616 + 1067.6495@5.966613 5.966613 (1068.6567, 1160.52)(1069.6492, 1043.25) 1 1067.6495 1067.6495@5.966613 + 789.4579@5.9696026 5.9696026 (790.4652, 1270.58)(791.4512, 1151.24)(792.4468, 1362.15) 1 789.4579 789.4579@5.9696026 + 755.5425@5.9698005 5.9698005 (756.5502, 2333.418)(757.5538, 1078.688)(773.5839, 954.41) 5 755.5425 755.5425@5.9698005 + 419.0249@5.98022 5.98022 (420.03174, 1591.4974) 4 419.0249 419.0249@5.98022 + 136.0245@6.006475 6.006475 (137.0318, 4832.67) 1 136.0245 136.0245@6.006475 + 266.2197@6.098152 6.098152 (267.227, 1880.15) 1 266.2197 266.2197@6.098152 + 144.1008@6.101142 6.101142 (145.1081, 5091.22) 1 144.1008 144.1008@6.101142 + 428.999@6.1764617 6.1764617 (430.0066, 1609.4268)(451.98877, 759.94) 3 428.999 428.999@6.1764617 + 671.4135@6.219713 6.219713 (672.4208, 52525.34)(673.4239, 16919.0) 1 671.4135 671.4135@6.219713 + 727.4389@6.238643 6.238643 (728.4462, 7260.7)(729.4492, 3220.35)(730.4491, 3584.48) 1 727.4389 727.4389@6.238643 + 626.395@6.240636 6.240636 (627.4023, 1386.34)(628.3936, 975.34) 1 626.395 626.395@6.240636 + 978.5507@6.319342 6.319342 (979.558, 900.3)(980.5562, 473.98)(981.5802, 858.04) 1 978.5507 978.5507@6.319342 + 671.4131@6.322331 6.322331 (672.4204, 9869.37)(673.4244, 3270.39) 1 671.4131 671.4131@6.322331 + 984.5263@6.3233275 6.3233275 (985.5336, 1156.02)(986.542, 911.27)(987.5319, 650.28) 1 984.5263 984.5263@6.3233275 + 974.5148@6.2292595 6.2292595 (975.5207, 1139.84)(976.53143, 868.13336)(977.5377, 865.345) 3 974.5148 974.5148@6.2292595 + 620.3879@6.393062 6.393062 (621.3952, 23665.47) 1 620.3879 620.3879@6.393062 + 737.4327@6.3499923 6.3499923 (738.4348, 2486.05)(739.4388, 1080.6266) 3 737.4327 737.4327@6.3499923 + 838.5411@6.405016 6.405016 (839.5449, 868.52)(840.5663, 428.13)(861.5324, 1355.73) 1 838.5411 838.5411@6.405016 + 648.4177@6.437889 6.437889 (649.425, 3343.77) 1 648.4177 648.4177@6.437889 + 731.4376@6.4398813 6.4398813 (732.4452, 3580.32)(733.4502, 1934.14)(754.4264, 2091.4)(755.4209, 410.03) 1 731.4376 731.4376@6.4398813 + 657.3628@6.4524612 6.4524612 (658.3702, 7967.473)(659.3737, 4233.535)(660.3854, 3046.94) 3 657.3628 657.3628@6.4524612 + 692.4426@6.452831 6.452831 (693.4499, 2237.57) 1 692.4426 692.4426@6.452831 + 549.3058@6.4548235 6.4548235 (550.313, 1404.79)(551.3261, 658.0) 1 549.3058 549.3058@6.4548235 + 838.5426@6.463788 6.463788 (839.5499, 1243.91)(840.5618, 686.72)(841.5628, 1237.96) 1 838.5426 838.5426@6.463788 + 795.4838@6.466777 6.466777 (796.4911, 1283.43)(797.4824, 1213.34) 1 795.4838 795.4838@6.466777 + 850.5688@6.4906826 6.4906826 (851.5761, 828.42)(852.5912, 668.85) 1 850.5688 850.5688@6.4906826 + 725.3496@6.4916787 6.4916787 (726.3568, 1513.03)(727.3672, 889.3) 1 725.3496 725.3496@6.4916787 + 689.4225@6.530525 6.530525 (690.4298, 4986.7)(691.4389, 1577.65) 1 689.4225 689.4225@6.530525 + 685.3988@6.5544305 6.5544305 (686.4061, 2156.54) 1 685.3988 685.3988@6.5544305 + 723.5365@6.563005 6.563005 (724.5431, 2885.91)(725.552, 1735.1799) 2 723.5365 723.5365@6.563005 + 603.3488@6.5540085 6.5540085 (604.3583, 4088.835)(605.3644, 1488.185) 2 603.3488 603.3488@6.5540085 + 551.3942@6.5922785 6.5922785 (552.4015, 18195.11)(553.4049, 5875.86)(554.4077, 1168.17) 1 551.3942 551.3942@6.5922785 + 559.3597@6.63697 6.63697 (560.36633, 2391.44)(561.36914, 942.095) 2 559.3597 559.3597@6.63697 + 645.2706@6.6511283 6.6511283 (646.2789, 1570.7767)(647.2815, 845.505)(668.2649, 673.74) 3 645.2706 645.2706@6.6511283 + 805.4952@6.6603746 6.6603746 (806.5113, 2102.33)(807.52686, 1365.73)(808.4943, 1028.19) 2 805.4952 805.4952@6.6603746 + 615.3518@6.669065 6.669065 (616.35834, 2913.455)(617.37335, 1201.746) 6 615.3518 615.3518@6.669065 + 689.3882@6.693772 6.693772 (690.3911, 2035.14)(691.3983, 1151.37)(692.3753, 2634.92)(693.3901, 392.92) 2 689.3882 689.3882@6.693772 + 971.5057@6.6794376 6.6794376 (972.5113, 974.17)(973.50977, 721.4634)(974.5211, 755.685)(975.5163, 790.77)(976.5417, 812.66) 3 971.5057 971.5057@6.6794376 + 647.3769@6.6652083 6.6652083 (648.3865, 1944.0)(649.38684, 1072.59) 2 647.3769 647.3769@6.6652083 + 531.3293@6.6805725 6.6805725 (532.337, 10097.37)(533.3408, 4423.563) 3 531.3293 531.3293@6.6805725 + 535.3218@6.702827 6.702827 (536.3291, 1934.16)(537.3286, 1265.28) 1 535.3218 535.3218@6.702827 + 874.5065@6.717765 6.717765 (875.5138, 1298.18)(876.526, 833.45) 1 874.5065 874.5065@6.717765 + 811.0003@6.7170897 6.7170897 (812.0089, 1333.8301)(813.0085, 1330.71)(813.99365, 6678.3647)(814.9986, 1905.8)(816.0106, 2510.79) 2 811.0003 811.0003@6.7170897 + 862.0069@6.7241807 6.7241807 (863.01447, 1434.9775)(864.0192, 934.31494)(865.0168, 769.96) 4 862.0069 862.0069@6.7241807 + 602.3414@6.763491 6.763491 (603.3488, 3361.79)(604.35406, 1554.325) 3 602.3414 602.3414@6.763491 + 1109.6813@6.7672415 6.7672415 (1110.6879, 1843.6799)(1111.6895, 2284.57) 2 1109.6813 1109.6813@6.7672415 + 1342.3463@6.7735314 6.7735314 (1343.3535, 1851.78)(1344.367, 2240.62)(1345.368, 1747.45) 1 1342.3463 1342.3463@6.7735314 + 582.3718@6.782494 6.782494 (583.3791, 2772.67) 1 582.3718 582.3718@6.782494 + 1289.3009@6.83831 6.83831 (1290.3054, 2393.055)(1291.3024, 2022.785) 2 1289.3009 1289.3009@6.83831 + 1288.8055@6.8432355 6.8432355 (1289.8127, 2176.11)(1290.807, 2174.94) 1 1288.8055 1288.8055@6.8432355 + 653.2916@6.860163 6.860163 (654.2989, 2844.26)(655.3018, 1193.09) 1 653.2916 653.2916@6.860163 + 693.4218@6.866999 6.866999 (694.4285, 14806.75)(695.4321, 5961.397)(716.4127, 5547.1)(717.4186, 2702.07) 3 693.4218 693.4218@6.866999 + 1096.6497@6.797023 6.797023 (1097.6525, 3161.835)(1098.6523, 3268.045)(1099.6567, 3222.36) 2 1096.6497 1096.6497@6.797023 + 627.3379@6.8731074 6.8731074 (628.3477, 1242.12)(610.3344, 13274.58)(611.337, 4478.91) 1 627.3379 627.3379@6.8731074 + 665.2386@6.8770614 6.8770614 (666.24554, 5022.0146)(667.249, 1800.495)(688.2293, 1511.2) 2 665.2386 665.2386@6.8770614 + 927.5361@6.881073 6.881073 (928.5455, 866.45)(950.5243, 1174.63)(951.5327, 759.61)(952.5443, 693.93) 1 927.5361 927.5361@6.881073 + 1108.629@6.88406 6.88406 (1109.6364, 1289.64)(1110.6367, 958.63)(1111.638, 1256.64)(1112.6581, 291.38) 1 1108.629 1108.629@6.88406 + 814.4626@6.88406 6.88406 (815.4706, 1539.79)(816.4532, 1218.13)(832.4961, 1639.94) 1 814.4626 814.4626@6.88406 + 641.3655@6.8850555 6.8850555 (642.3727, 1970.55)(643.3722, 905.5)(644.3856, 948.35) 1 641.3655 641.3655@6.8850555 + 1140.6107@6.890034 6.890034 (1141.618, 1520.96)(1142.6174, 714.68) 1 1140.6107 1140.6107@6.890034 + 617.3681@6.890034 6.890034 (618.375, 1302.6)(635.4023, 1591.36) 1 617.3681 617.3681@6.890034 + 787.4313@6.8930216 6.8930216 (788.4373, 1182.48)(770.4286, 1958.09)(771.435, 1072.9)(772.4371, 2633.66)(773.4412, 1097.02)(774.4529, 1805.5) 1 787.4313 787.4313@6.8930216 + 671.4008@6.894017 6.894017 (672.4107, 1883.76)(673.4158, 1096.92)(674.4036, 1170.72)(654.3971, 25161.55)(655.4008, 9004.7) 1 671.4008 671.4008@6.894017 + 606.299@6.898 6.898 (607.3063, 4378.8) 1 606.299 606.299@6.898 + 695.2904@6.898995 6.898995 (696.2977, 1079.17) 1 695.2904 695.2904@6.898995 + 784.4626@6.8936944 6.8936944 (785.46936, 2464.3599)(786.46, 1902.8049)(787.4778, 1439.45) 2 784.4626 784.4626@6.8936944 + 145.1102@6.949274 6.949274 (146.11746, 9690.1455)(147.11967, 1529.6666) 3 145.1102 145.1102@6.949274 + 428.293@7.0194654 7.0194654 (429.3003, 1536.14) 1 428.293 428.293@7.0194654 + 567.2804@7.046345 7.046345 (568.2877, 2789.24)(569.2911, 1143.18) 1 567.2804 567.2804@7.046345 + 512.3278@7.088156 7.088156 (513.3351, 1691.21) 1 512.3278 512.3278@7.088156 + 561.3073@7.1538563 7.1538563 (562.3146, 1957.67)(563.322, 585.44) 1 561.3073 561.3073@7.1538563 + 662.2873@7.1638107 7.1638107 (663.2946, 11620.08)(664.307, 8133.73)(665.311, 2346.88) 1 662.2873 662.2873@7.1638107 + 473.2187@7.2792716 7.2792716 (474.226, 1517.27) 1 473.2187 473.2187@7.2792716 + 608.3154@7.2981815 7.2981815 (609.3224, 5112.83)(631.3052, 2362.16) 1 608.3154 608.3154@7.2981815 + 675.2849@7.369838 7.369838 (676.2922, 1531.53)(677.2948, 547.28)(678.2882, 881.13) 1 675.2849 675.2849@7.369838 + 317.1972@7.7519135 7.7519135 (318.2045, 1838.99)(319.2149, 530.04) 1 317.1972 317.1972@7.7519135 + 652.4054@7.7519135 7.7519135 (653.4127, 4312.26)(654.4175, 1735.01) 1 652.4054 652.4054@7.7519135 + 680.3005@7.987645 7.987645 (681.3078, 835.9)(682.3184, 338.11) 1 680.3005 680.3005@7.987645 + 523.2159@8.509607 8.509607 (524.2232, 1051.2) 1 523.2159 523.2159@8.509607 + 426.2126@8.559301 8.559301 (427.2199, 854.01) 1 426.2126 426.2126@8.559301 + 760.934@9.092823 9.092823 (761.9412, 650.19)(762.9298, 689.68) 1 760.934 760.934@9.092823 + 500.7711@10.34619 10.34619 (501.7784, 1287.64) 1 500.7711 500.7711@10.34619 + 274.0487@0.7449474 0.7449474 (275.056, 1832.3) 1 274.0487 274.0487@0.7449474 + 351.9575@0.93071014 0.93071014 (352.9652, 1475.1699) 4 351.9575 351.9575@0.93071014 + 1096.3123@1.0619147 1.0619147 (1097.3195, 1357.67)(1098.3217, 1179.19) 1 1096.3123 1096.3123@1.0619147 + 639.422@1.0669141 1.0669141 (640.4289, 2091.04)(622.4191, 2220.77) 1 639.422 639.422@1.0669141 + 352.3315@1.0689139 1.0689139 (353.3388, 3440.08) 1 352.3315 352.3315@1.0689139 + 406.3783@1.0699139 1.0699139 (407.3856, 1154.72) 1 406.3783 406.3783@1.0699139 + 373.1568@1.0702574 1.0702574 (374.16388, 3959.0352)(375.17773, 1332.845) 2 373.1568 373.1568@1.0702574 + 486.2969@1.0709137 1.0709137 (487.3042, 4377.98) 1 486.2969 486.2969@1.0709137 + 232.1468@1.0727422 1.0727422 (233.15355, 2613.48)(234.1507, 1006.65) 2 232.1468 232.1468@1.0727422 + 533.4028@1.0711862 1.0711862 (534.4113, 12991.192)(535.40564, 6423.42)(536.398, 5574.6)(556.39355, 5277.8765)(557.4027, 2957.5432)(558.3988, 8563.115) 3 533.4028 533.4028@1.0711862 + 1170.3326@1.0719136 1.0719136 (1171.3398, 901.32) 1 1170.3326 1170.3326@1.0719136 + 551.3816@1.0719136 1.0719136 (552.3889, 3205.96) 1 551.3816 551.3816@1.0719136 + 420.2877@1.0934557 1.0934557 (421.29297, 2915.67)(422.292, 2071.0)(438.3212, 2612.8599)(443.27356, 1887.7151) 3 420.2877 420.2877@1.0934557 + 477.3476@1.0728192 1.0728192 (478.3543, 2661.145) 2 477.3476 477.3476@1.0728192 + 663.59@1.0749133 1.0749133 (664.5973, 1123.96)(665.6066, 786.23) 1 663.59 663.59@1.0749133 + 379.2738@1.0749133 1.0749133 (380.2831, 3667.14)(397.3053, 3117.03) 1 379.2738 379.2738@1.0749133 + 369.2805@1.0779128 1.0779128 (370.2889, 2956.01)(387.3132, 2794.62) 1 369.2805 369.2805@1.0779128 + 178.0996@1.0789127 1.0789127 (179.1069, 2795.4) 1 178.0996 178.0996@1.0789127 + 753.504@1.0789127 1.0789127 (754.5113, 1602.46) 1 753.504 753.504@1.0789127 + 108.0935@1.0829122 1.0829122 (109.1007, 7750.8)(110.1034, 865.32) 1 108.0935 108.0935@1.0829122 + 226.1929@1.0789204 1.0789204 (453.392, 1993.3)(454.3908, 1127.95)(227.2002, 2772.69)(228.19678, 948.3167)(209.18991, 3515.545)(210.193, 872.02)(244.2253, 975.93335)(249.1846, 2062.53)(250.1813, 885.69) 5 226.1929 226.1929@1.0789204 + 1201.3257@1.0859119 1.0859119 (1202.333, 6430.47) 1 1201.3257 1201.3257@1.0859119 + 353.1883@1.1225256 1.1225256 (354.19418, 2191.4534)(376.17773, 9744.335) 3 353.1883 353.1883@1.1225256 + 585.4858@1.0789909 1.0789909 (586.49335, 2232.625)(587.5051, 1390.19)(608.4766, 2683.4)(609.4743, 2461.65)(610.4673, 1328.26) 2 585.4858 585.4858@1.0789909 + 605.4009@1.1289067 1.1289067 (606.4081, 2094.58)(607.4028, 1293.02)(608.3927, 1929.62) 1 605.4009 605.4009@1.1289067 + 817.5824@1.1254507 1.1254507 (818.587, 1426.4651)(819.5849, 862.5175) 4 817.5824 817.5824@1.1254507 + 369.2871@1.1309065 1.1309065 (370.2944, 15030.16)(371.3031, 9740.07) 1 369.2871 369.2871@1.1309065 + 646.445@1.1312824 1.1312824 (647.4506, 1741.31)(648.4692, 1351.24)(669.4372, 862.56) 2 646.445 646.445@1.1312824 + 530.3597@1.1349059 1.1349059 (531.367, 3130.83) 1 530.3597 530.3597@1.1349059 + 552.4016@1.1359059 1.1359059 (553.4089, 2504.83) 1 552.4016 552.4016@1.1359059 + 752.4648@1.1439081 1.1439081 (753.4709, 1112.8033)(770.5008, 3078.5151)(771.50385, 1461.3049)(775.4533, 932.28)(776.4745, 834.07) 3 752.4648 752.4648@1.1439081 + 178.1357@1.1539037 1.1539037 (179.1425, 3583.0)(201.1274, 1341.79) 1 178.1357 178.1357@1.1539037 + 379.2027@1.1689018 1.1689018 (380.21, 1696.39) 1 379.2027 379.2027@1.1689018 + 465.3006@1.1214898 1.1214898 (466.30432, 2014.085)(467.3015, 1148.33)(448.2958, 4972.41)(449.2885, 2818.75) 2 465.3006 465.3006@1.1214898 + 346.1777@1.2031626 1.2031626 (347.1848, 5941.85)(348.1933, 2973.875) 3 346.1777 346.1777@1.2031626 + 178.0997@1.2078968 1.2078968 (357.2056, 7319.22)(358.2189, 3318.1)(179.1079, 3574.82) 1 178.0997 178.0997@1.2078968 + 275.1529@1.2108965 1.2108965 (276.1602, 4506.91) 1 275.1529 275.1529@1.2108965 + 430.2554@1.2148659 1.2148659 (431.26294, 2751.25)(448.2896, 5977.2)(449.2922, 2077.53) 2 430.2554 430.2554@1.2148659 + 242.0815@1.2238948 1.2238948 (243.0888, 1847.52)(244.0907, 668.74)(245.0934, 721.23) 1 242.0815 242.0815@1.2238948 + 353.1071@1.232214 1.232214 (354.1149, 1395.425) 2 353.1071 353.1071@1.232214 + 188.1501@1.2498914 1.2498914 (394.3334, 22971.63)(395.3342, 7270.27)(396.3307, 16906.4)(397.3357, 4581.65)(189.1586, 3478.27) 1 188.1501 188.1501@1.2498914 + 584.4309@1.2538909 1.2538909 (585.4382, 2486.82)(586.4333, 1615.47) 1 584.4309 584.4309@1.2538909 + 663.9891@1.2538909 1.2538909 (664.9963, 2247.84) 1 663.9891 663.9891@1.2538909 + 518.8849@1.2558907 1.2558907 (519.8922, 1117.27) 1 518.8849 518.8849@1.2558907 + 537.3844@1.2600495 1.2600495 (538.39294, 4058.6746)(539.396, 1835.332)(555.4186, 3971.39)(560.3704, 1144.21) 7 537.3844 537.3844@1.2600495 + 68.0626@1.2578903 1.2578903 (137.1321, 2692.11)(159.1152, 1574.26)(69.0696, 1582.0) 1 68.0626 68.0626@1.2578903 + 498.3299@1.2595048 1.2595048 (499.33582, 7016.56)(500.3427, 5026.81) 2 498.3299 498.3299@1.2595048 + 508.3592@1.2588902 1.2588902 (509.3665, 7397.86)(510.357, 3772.87)(511.3535, 2080.83) 1 508.3592 508.3592@1.2588902 + 758.5924@1.2588902 1.2588902 (759.598, 1690.04)(781.582, 7363.36)(782.5828, 3714.72)(783.5914, 2796.27) 1 758.5924 758.5924@1.2588902 + 1137.831@1.2631851 1.2631851 (1138.8378, 1607.7167)(1139.8401, 1025.2) 3 1137.831 1137.831@1.2631851 + 754.5528@1.2628897 1.2628897 (755.5601, 4108.98)(756.562, 2332.34)(757.5807, 1510.64) 1 754.5528 754.5528@1.2628897 + 181.1476@1.3182786 1.3182786 (182.15605, 3679.4053) 2 181.1476 181.1476@1.3182786 + 84.0575@1.3428789 1.3428789 (85.0647, 4150.4) 1 84.0575 84.0575@1.3428789 + 274.0161@1.3718748 1.3718748 (275.0234, 1752.16) 1 274.0161 274.0161@1.3718748 + 628.4637@1.3908522 1.3908522 (629.47205, 1592.4176)(630.47626, 811.34753) 4 628.4637 628.4637@1.3908522 + 455.2174@1.4108692 1.4108692 (456.2246, 1898.16)(457.226, 843.32) 1 455.2174 455.2174@1.4108692 + 333.2979@1.4138689 1.4138689 (334.3051, 818.51) 1 333.2979 333.2979@1.4138689 + 279.1144@1.4138689 1.4138689 (280.1217, 2970.3) 1 279.1144 279.1144@1.4138689 + 319.2438@1.4402457 1.4402457 (320.25522, 1572.8125)(321.2624, 938.83) 4 319.2438 319.2438@1.4402457 + 364.2248@1.453863 1.453863 (365.2334, 1314.74)(347.2213, 4925.44)(348.2173, 1740.59) 1 364.2248 364.2248@1.453863 + 693.5114@1.4858582 1.4858582 (694.5186, 1016.66) 1 693.5114 693.5114@1.4858582 + 285.1002@1.5014896 1.5014896 (286.10785, 2491.5298)(287.10873, 838.34)(308.0904, 1386.51) 5 285.1002 285.1002@1.5014896 + 463.2722@1.5048554 1.5048554 (464.281, 734.6)(446.2678, 865.19) 1 463.2722 463.2722@1.5048554 + 327.191@1.5138541 1.5138541 (328.1983, 6680.94)(329.2002, 1050.17) 1 327.191 327.191@1.5138541 + 252.1003@1.5198531 1.5198531 (253.1076, 4897.76)(254.1114, 1607.63) 1 252.1003 252.1003@1.5198531 + 498.2965@1.5902214 1.5902214 (499.30215, 3490.13)(500.29468, 1281.45) 2 498.2965 498.2965@1.5902214 + 325.0915@1.5548548 1.5548548 (326.09903, 2072.0632)(327.1, 590.03) 3 325.0915 325.0915@1.5548548 + 722.5336@1.5458491 1.5458491 (723.5409, 1922.4)(724.5359, 1151.7) 1 722.5336 722.5336@1.5458491 + 1021.2951@1.5838432 1.5838432 (1022.3024, 721.8)(1023.3002, 518.89) 1 1021.2951 1021.2951@1.5838432 + 132.0593@1.5900588 1.5900588 (133.06711, 1274.255)(115.056046, 11935.915)(116.053345, 1748.55) 2 132.0593 132.0593@1.5900588 + 403.2013@1.6128386 1.6128386 (404.2086, 2151.63)(405.2062, 1008.96) 1 403.2013 403.2013@1.6128386 + 482.1449@1.6548319 1.6548319 (483.1514, 1472.61)(484.1615, 578.81)(505.1352, 1603.95) 1 482.1449 482.1449@1.6548319 + 440.041@1.708823 1.708823 (441.0483, 910.04) 1 440.041 440.041@1.708823 + 397.2302@1.7441089 1.7441089 (398.23822, 1578.4381) 5 397.2302 397.2302@1.7441089 + 680.4246@1.7245338 1.7245338 (681.4319, 3363.7998)(682.4339, 1359.375)(683.438, 666.97) 2 680.4246 680.4246@1.7245338 + 663.3983@1.7299321 1.7299321 (664.4059, 4553.395)(665.4099, 1950.115)(681.4326, 4922.12)(682.4349, 2203.59)(683.4382, 882.71)(686.38715, 5161.2)(687.3905, 2100.815)(688.4031, 858.57) 2 663.3983 663.3983@1.7299321 + 368.2194@1.6616831 1.6616831 (369.22583, 4993.44)(370.2309, 2750.05)(351.2144, 4085.08)(352.2156, 1432.47) 2 368.2194 368.2194@1.6616831 + 57.0576@1.7598144 1.7598144 (58.0649, 3541.88) 1 57.0576 57.0576@1.7598144 + 939.5322@1.8995568 1.8995568 (940.54034, 1608.5)(941.5452, 1105.87) 3 939.5322 939.5322@1.8995568 + 55.042@1.9432957 1.9432957 (56.0493, 2252.35) 2 55.042 55.042@1.9432957 + 260.1427@2.0217674 2.0217674 (261.15, 4151.35)(262.1607, 1292.41) 1 260.1427 260.1427@2.0217674 + 371.2326@2.0793138 2.0793138 (372.23987, 5573.45)(373.24408, 1216.8401) 2 371.2326 371.2326@2.0793138 + 294.1317@2.141545 2.141545 (295.1406, 1814.7832)(312.1652, 5370.663)(313.16605, 1122.5) 3 294.1317 294.1317@2.141545 + 448.156@2.1637397 2.1637397 (449.1633, 1093.98) 1 448.156 448.156@2.1637397 + 152.0332@2.1844068 2.1844068 (153.0405, 1810.1749) 2 152.0332 152.0332@2.1844068 + 324.1751@2.2844172 2.2844172 (325.18246, 4835.22) 4 324.1751 324.1751@2.2844172 + 244.087@2.4226856 2.4226856 (245.0943, 3892.84)(246.0963, 713.22) 1 244.087 244.087@2.4226856 + 818.733@2.439682 2.439682 (819.7402, 1091.71) 1 818.733 818.733@2.439682 + 201.1363@2.7096205 2.7096205 (202.1436, 10682.38)(203.147, 1684.73) 1 201.1363 201.1363@2.7096205 + 330.0376@2.8176606 2.8176606 (331.04474, 6202.715)(332.04547, 838.275)(333.041, 776.24) 2 330.0376 330.0376@2.8176606 + 127.0343@2.8870451 2.8870451 (128.04182, 2356.2666)(129.0374, 1139.87) 3 127.0343 127.0343@2.8870451 + 415.2778@2.8855777 2.8855777 (416.2851, 6228.02)(417.2889, 1723.92) 1 415.2778 415.2778@2.8855777 + 223.0868@2.8865776 2.8865776 (224.0941, 20053.38)(225.0999, 1812.21) 1 223.0868 223.0868@2.8865776 + 60.0212@2.8641489 2.8641489 (61.02825, 1677.965) 2 60.0212 60.0212@2.8641489 + 356.9743@2.9775546 2.9775546 (357.9816, 972.16) 1 356.9743 356.9743@2.9775546 + 389.1544@3.0859504 3.0859504 (390.1618, 2080.02)(391.1649, 651.69) 2 389.1544 389.1544@3.0859504 + 657.375@3.1525095 3.1525095 (658.3822, 1609.45)(659.3848, 830.7) 1 657.375 657.375@3.1525095 + 319.1757@3.535404 3.535404 (320.183, 2521.0) 1 319.1757 319.1757@3.535404 + 934.6668@3.6663659 3.6663659 (935.6741, 792.01)(936.6787, 829.65) 1 934.6668 934.6668@3.6663659 + 503.3268@3.773334 3.773334 (504.3341, 1267.29) 1 503.3268 503.3268@3.773334 + 640.5824@3.938284 3.938284 (641.5897, 3813.32)(642.5923, 1165.93) 1 640.5824 640.5824@3.938284 + 716.0081@4.0052633 4.0052633 (717.0154, 1001.78) 1 716.0081 716.0081@4.0052633 + 595.7589@4.0482492 4.0482492 (596.7662, 1015.53) 1 595.7589 595.7589@4.0482492 + 409.3178@4.2911716 4.2911716 (410.325, 2015.46)(411.3296, 921.9) 1 409.3178 409.3178@4.2911716 + 385.3188@4.2951703 4.2951703 (386.3261, 2100.98)(387.3269, 542.39) 1 385.3188 385.3188@4.2951703 + 307.031@4.3021884 4.3021884 (308.03827, 1732.1799) 2 307.031 307.031@4.3021884 + 383.3026@4.3081665 4.3081665 (384.31, 4270.09)(385.3111, 1233.65)(406.2899, 672.19) 1 383.3026 383.3026@4.3081665 + 381.2863@4.3221617 4.3221617 (382.2935, 2104.36) 1 381.2863 381.2863@4.3221617 + 327.2397@4.4261274 4.4261274 (328.247, 2540.35)(329.2481, 905.3) 1 327.2397 327.2397@4.4261274 + 1079.7902@4.446822 4.446822 (1080.7974, 1442.855)(1081.8003, 1006.13) 2 1079.7902 1079.7902@4.446822 + 686.9902@4.474111 4.474111 (687.9974, 1416.91) 1 686.9902 686.9902@4.474111 + 337.2115@4.5320916 4.5320916 (338.2188, 1561.7) 1 337.2115 337.2115@4.5320916 + 954.5254@4.6000686 4.6000686 (955.5327, 1146.69) 1 954.5254 954.5254@4.6000686 + 578.5101@4.6040673 4.6040673 (579.5174, 1761.56) 1 578.5101 578.5101@4.6040673 + 652.5391@4.6230607 4.6230607 (653.5463, 1385.74)(654.541, 998.74) 1 652.5391 652.5391@4.6230607 + 905.5966@4.6770425 4.6770425 (906.6039, 1995.17)(907.6054, 1010.01) 1 905.5966 905.5966@4.6770425 + 246.1375@4.683785 4.683785 (247.14426, 2659.62)(248.1514, 786.645) 2 246.1375 246.1375@4.683785 + 882.5223@4.700732 4.700732 (883.5294, 2479.5352)(884.5345, 1267.915)(885.5464, 5100.8)(886.55, 2757.12)(887.5604, 1648.33)(905.5126, 1136.88) 2 882.5223 882.5223@4.700732 + 793.4991@4.782555 4.782555 (794.5061, 1278.8049)(795.5089, 996.28) 2 793.4991 793.4991@4.782555 + 680.6199@5.0009284 5.0009284 (681.6271, 919.56)(682.6163, 834.78) 1 680.6199 680.6199@5.0009284 + 300.2769@5.2918224 5.2918224 (301.2842, 934.74) 1 300.2769 300.2769@5.2918224 + 763.4704@5.313814 5.313814 (764.4777, 1054.07) 1 763.4704 763.4704@5.313814 + 948.5191@5.433769 5.433769 (949.5264, 730.53)(950.5295, 645.84) 1 948.5191 948.5191@5.433769 + 1640.1514@5.4448524 5.4448524 (1641.157, 2973.2476)(1642.163, 2425.8435)(1643.1621, 1514.0468)(1644.1617, 415.99) 4 1640.1514 1640.1514@5.4448524 + 1624.1273@5.4419646 5.4419646 (1625.1365, 2168.83)(1626.1355, 1870.99)(1627.1328, 1393.345)(1647.1272, 1259.49)(1648.1346, 862.72)(1649.1223, 738.33) 4 1624.1273 1624.1273@5.4419646 + 1588.1232@5.4515433 5.4515433 (1589.1302, 8524.613)(1590.1377, 7237.08)(1591.1436, 4525.8203)(1611.1136, 6381.85)(1612.124, 7857.06)(1613.129, 6541.86) 3 1588.1232 1588.1232@5.4515433 + 1227.3285@5.448468 5.448468 (1228.3356, 1508.5)(1229.3342, 1787.93)(1230.3378, 1570.4033) 4 1227.3285 1227.3285@5.448468 + 533.0447@5.4517627 5.4517627 (534.052, 4379.08) 1 533.0447 533.0447@5.4517627 + 1631.6085@5.4445224 5.4445224 (1632.6141, 781.66504)(1633.6191, 934.17505)(1634.6157, 840.885) 2 1631.6085 1631.6085@5.4445224 + 1249.8201@5.451332 5.451332 (1250.8287, 1159.7024)(1251.8324, 1125.6775)(1252.8325, 1007.7925)(1232.823, 1385.76)(1233.8282, 1489.13)(1234.8301, 1378.31) 4 1249.8201 1249.8201@5.451332 + 1180.3315@5.490748 5.490748 (1181.3387, 656.95)(1182.3284, 936.5)(1183.3308, 4005.1) 1 1180.3315 1180.3315@5.490748 + 724.4649@5.5015945 5.5015945 (725.4717, 1449.2601)(726.47174, 1090.48) 3 724.4649 724.4649@5.5015945 + 1177.3344@5.518094 5.518094 (1178.3433, 1089.53)(1179.3389, 1071.885)(1180.3374, 1201.9299) 2 1177.3344 1177.3344@5.518094 + 752.991@5.5087414 5.5087414 (753.9983, 3312.78)(754.9826, 2706.78) 1 752.991 752.991@5.5087414 + 795.5193@5.525519 5.525519 (796.52936, 39611.832)(797.5322, 18950.023)(798.5403, 6060.09) 5 795.5193 795.5193@5.525519 + 795.0695@5.5157385 5.5157385 (796.0767, 3915.38)(797.0803, 1408.3) 1 795.0695 795.0695@5.5157385 + 819.6099@5.519737 5.519737 (820.6172, 14022.12)(821.6162, 6588.04) 1 819.6099 819.6099@5.519737 + 1684.0995@5.546106 5.546106 (1685.1074, 1925.2167)(1686.1108, 1914.3434)(1687.1152, 1555.1549)(1688.1176, 823.63745) 6 1684.0995 1684.0995@5.546106 + 524.0365@5.56372 5.56372 (525.0438, 1940.4) 1 524.0365 524.0365@5.56372 + 1042.574@5.569718 5.569718 (1043.5813, 851.87) 1 1042.574 1042.574@5.569718 + 252.0256@5.571717 5.571717 (253.0329, 2613.9) 1 252.0256 252.0256@5.571717 + 774.0692@5.5812044 5.5812044 (775.07605, 3434.355)(776.08185, 1088.09)(777.0719, 1215.85) 2 774.0692 774.0692@5.5812044 + 1041.0645@5.5788016 5.5788016 (1042.0726, 1326.895)(1043.0757, 860.32996)(1044.0859, 652.71)(1064.0547, 755.03) 6 1041.0645 1041.0645@5.5788016 + 936.5799@5.595043 5.595043 (937.58826, 1125.77)(938.5863, 820.515)(939.6006, 1417.02) 2 936.5799 936.5799@5.595043 + 1306.3281@5.588444 5.588444 (1307.3347, 1454.84)(1308.3395, 1125.78)(1309.3488, 1044.03) 4 1306.3281 1306.3281@5.588444 + 1540.1208@5.6077037 5.6077037 (1541.128, 4055.61)(1542.1377, 2386.98) 1 1540.1208 1540.1208@5.6077037 + 941.5604@5.61682 5.61682 (942.5674, 1908.4332)(943.5661, 1617.93) 3 941.5604 941.5604@5.61682 + 806.0619@5.614701 5.614701 (1613.1226, 666.8)(807.0694, 3356.36) 1 806.0619 806.0619@5.614701 + 1187.3567@5.6157002 5.6157002 (1188.364, 3559.69) 1 1187.3567 1187.3567@5.6157002 + 813.5588@5.6166997 5.6166997 (814.5661, 5596.61)(815.5642, 2393.48) 1 813.5588 813.5588@5.6166997 + 1566.1381@5.618699 5.618699 (1567.1454, 4649.97)(1568.1536, 4957.21) 1 1566.1381 1566.1381@5.618699 + 808.0768@5.58462 5.58462 (809.0834, 4500.1953)(810.0902, 1652.56) 2 808.0768 808.0768@5.58462 + 910.5352@5.6560764 5.6560764 (911.5404, 1513.2649)(912.5547, 948.74)(913.5686, 597.62) 2 910.5352 910.5352@5.6560764 + 789.5525@5.6646814 5.6646814 (790.5596, 16273.93)(791.5639, 7320.59)(792.5735, 4955.32)(812.5419, 9558.73)(813.5514, 749.58)(814.5624, 1666.62)(815.5629, 1420.2) 1 789.5525 789.5525@5.6646814 + 565.2377@5.7193747 5.7193747 (566.2446, 1291.21)(567.249, 886.76) 2 565.2377 565.2377@5.7193747 + 808.6897@5.7916327 5.7916327 (809.697, 1970.83)(810.6988, 1360.94) 1 808.6897 808.6897@5.7916327 + 412.1145@5.8086257 5.8086257 (413.1217, 1231.79) 1 412.1145 412.1145@5.8086257 + 807.5756@5.8126245 5.8126245 (808.5829, 195717.81)(809.5863, 98653.59) 1 807.5756 807.5756@5.8126245 + 948.5133@5.8216205 5.8216205 (949.5206, 990.34) 1 948.5133 948.5133@5.8216205 + 822.0889@5.831575 5.831575 (823.0956, 1847.8201)(824.0943, 1030.5668)(825.0736, 1227.035)(845.0696, 1226.03) 4 822.0889 822.0889@5.831575 + 1567.1505@5.8254414 5.8254414 (1568.1572, 1441.7767)(1569.1614, 1265.976)(1570.163, 863.19336) 6 1567.1505 1567.1505@5.8254414 + 822.5929@5.855607 5.855607 (823.6001, 3171.39) 1 822.5929 822.5929@5.855607 + 884.0437@5.8606052 5.8606052 (885.051, 1539.27)(886.051, 668.76) 1 884.0437 884.0437@5.8606052 + 369.2874@5.8915935 5.8915935 (370.2947, 4987.6)(371.3023, 1537.63) 1 369.2874 369.2874@5.8915935 + 1007.5898@5.942573 5.942573 (1008.5971, 2093.54)(1009.5973, 1144.6) 1 1007.5898 1007.5898@5.942573 + 1027.5865@5.943573 5.943573 (1028.5939, 2658.02)(1029.5984, 1813.95)(1030.6029, 1059.96) 1 1027.5865 1027.5865@5.943573 + 966.5141@5.9520817 5.9520817 (967.51984, 1369.135)(968.524, 1409.54)(969.5297, 1034.27) 2 966.5141 966.5141@5.9520817 + 689.3671@5.9480286 5.9480286 (690.3734, 2378.55)(691.3782, 953.645)(707.4042, 1479.8)(708.4179, 1473.9) 2 689.3671 689.3671@5.9480286 + 894.5437@5.9604373 5.9604373 (895.5529, 1893.9434)(896.5506, 1267.415)(897.5513, 747.185) 3 894.5437 894.5437@5.9604373 + 964.5932@5.965762 5.965762 (965.5999, 986.16003)(966.5988, 810.36)(967.6107, 1657.48)(968.6108, 865.43)(969.6264, 4643.5) 2 964.5932 964.5932@5.965762 + 969.623@5.9690537 5.9690537 (970.6298, 2325.0781)(971.6311, 937.8033) 6 969.623 969.623@5.9690537 + 946.5871@5.9712515 5.9712515 (947.599, 1679.78)(948.60754, 1057.335) 2 946.5871 946.5871@5.9712515 + 803.5502@5.967199 5.967199 (804.5601, 1303.6434)(805.55585, 786.305)(806.5609, 2434.27)(807.5604, 2591.34) 3 803.5502 803.5502@5.967199 + 367.2722@6.0625257 6.0625257 (368.2795, 1927.63) 1 367.2722 367.2722@6.0625257 + 277.0501@6.144493 6.144493 (278.0574, 2854.03)(279.0608, 942.71) 1 277.0501 277.0501@6.144493 + 341.2561@6.1584873 6.1584873 (342.2634, 13733.04)(343.2671, 3825.29) 1 341.2561 341.2561@6.1584873 + 811.6059@6.1681595 6.1681595 (812.61237, 1896.5999)(813.6174, 1455.8)(814.6312, 1832.665)(834.5963, 1758.255)(835.59814, 1002.66504)(836.6118, 2389.04)(837.6166, 1364.7051)(838.6284, 438.76) 2 811.6059 811.6059@6.1681595 + 759.5773@6.167484 6.167484 (760.5844, 26415.76)(761.588, 12423.15)(762.5913, 3426.77)(763.5962, 981.87)(782.5666, 27677.55) 1 759.5773 759.5773@6.167484 + 779.4385@6.171482 6.171482 (780.4458, 906.88)(781.4365, 589.7) 1 779.4385 779.4385@6.171482 + 953.4892@6.171482 6.171482 (954.4965, 1030.68)(955.4981, 622.13)(956.5102, 1953.72)(957.5127, 1728.51)(958.5195, 1386.46) 1 953.4892 953.4892@6.171482 + 895.5446@6.184831 6.184831 (896.5534, 1868.3049)(897.5555, 1019.91)(898.5729, 1009.89)(918.5335, 3864.92)(919.5386, 2077.16)(920.5509, 2395.87) 2 895.5446 895.5446@6.184831 + 803.535@6.1734815 6.1734815 (804.5422, 1074.53)(805.5465, 588.57) 1 803.535 803.535@6.1734815 + 860.5158@6.1744814 6.1744814 (861.5231, 1322.02) 1 860.5158 860.5158@6.1744814 + 635.4156@6.2531204 6.2531204 (636.423, 6030.13)(637.42584, 2240.87) 2 635.4156 635.4156@6.2531204 + 704.4427@6.2844367 6.2844367 (705.45, 4913.34) 1 704.4427 704.4427@6.2844367 + 131.897@6.2914343 6.2914343 (132.9043, 1282.72) 1 131.897 131.897@6.2914343 + 916.5153@6.306428 6.306428 (917.5226, 1627.34) 1 916.5153 916.5153@6.306428 + 917.5258@6.310426 6.310426 (918.533, 4082.37)(919.5367, 3129.03)(920.5504, 2836.9) 1 917.5258 917.5258@6.310426 + 894.5965@6.3124256 6.3124256 (895.6021, 1035.72)(917.5879, 855.0) 1 894.5965 894.5965@6.3124256 + 867.5275@6.3195496 6.3195496 (868.5372, 2041.24)(869.5375, 1690.56)(870.5479, 6170.56)(871.5518, 3039.73)(872.5624, 3943.8) 2 867.5275 867.5275@6.3195496 + 436.0783@6.3215346 6.3215346 (437.08533, 1733.9434) 3 436.0783 436.0783@6.3215346 + 171.0876@6.244433 6.244433 (172.09601, 13135.284)(173.10019, 1879.425)(174.087, 1783.57)(194.0807, 1547.97) 3 171.0876 171.0876@6.244433 + 734.4627@6.3274193 6.3274193 (735.47, 2267.53) 1 734.4627 734.4627@6.3274193 + 834.5828@6.3294187 6.3294187 (835.59, 2600.93) 1 834.5828 834.5828@6.3294187 + 311.2096@6.3464117 6.3464117 (312.2169, 2050.45) 1 311.2096 311.2096@6.3464117 + 836.5969@6.44982 6.44982 (837.6043, 4855.493)(838.6076, 1696.5865)(839.6082, 704.81) 3 836.5969 836.5969@6.44982 + 510.3197@6.5870256 6.5870256 (511.32697, 1332.965) 2 510.3197 510.3197@6.5870256 + 1086.6621@6.6451683 6.6451683 (1087.6693, 2098.1628)(1088.6722, 1422.6699)(1089.683, 3742.77)(1090.6877, 2910.14)(1091.6962, 2163.688)(1092.7018, 1369.9199)(1093.7106, 946.03) 7 1086.6621 1086.6621@6.6451683 + 808.6462@6.7085094 6.7085094 (809.6522, 1405.935)(810.6525, 1230.24) 2 808.6462 808.6462@6.7085094 + 733.4461@6.673278 6.673278 (734.4534, 1518.95)(735.4567, 1154.64) 1 733.4461 733.4461@6.673278 + 804.0035@6.6778283 6.6778283 (805.0104, 2495.99) 2 804.0035 804.0035@6.6778283 + 221.1052@6.6756124 6.6756124 (222.1125, 5920.535)(223.1158, 1430.52)(224.1148, 2125.29) 2 221.1052 221.1052@6.6756124 + 842.0137@6.6972675 6.6972675 (843.021, 1926.69) 1 842.0137 842.0137@6.6972675 + 854.9694@6.698267 6.698267 (855.9727, 1082.47)(873.0052, 2063.63)(874.0025, 1381.23)(875.0019, 1262.46) 1 854.9694 854.9694@6.698267 + 910.5323@6.7002664 6.7002664 (911.5396, 763.16)(912.5459, 662.13)(913.5466, 804.45) 1 910.5323 910.5323@6.7002664 + 1070.7239@6.701266 6.701266 (1071.7312, 6822.22)(1072.735, 4162.79) 1 1070.7239 1070.7239@6.701266 + 849.9851@6.715855 6.715855 (850.99347, 5393.404)(852.0091, 3801.26)(853.0151, 2253.9402)(854.015, 556.53) 7 849.9851 849.9851@6.715855 + 1057.7065@6.734599 6.734599 (1058.714, 2164.68)(1059.7251, 1418.87) 2 1057.7065 1057.7065@6.734599 + 833.4903@6.740312 6.740312 (834.4966, 1331.505)(835.50446, 1237.04)(836.4938, 2314.275)(837.5079, 0.0)(838.4922, 4882.14)(839.4974, 1745.42)(840.5081, 855.21) 2 833.4903 833.4903@6.740312 + 1333.3223@6.7192583 6.7192583 (1334.3296, 1671.61)(1335.3372, 1724.42)(1336.3406, 1764.07) 1 1333.3223 1333.3223@6.7192583 + 661.4159@6.7232566 6.7232566 (1323.8385, 2725.34)(1324.8467, 1771.67)(1325.8541, 3159.22)(662.4238, 889.44) 1 661.4159 661.4159@6.7232566 + 1121.1615@6.7244 6.7244 (1122.1663, 2269.8318)(1123.1753, 1444.4467)(1124.1832, 1442.2667)(1125.1797, 873.63)(1126.18, 822.25) 6 1121.1615 1121.1615@6.7244 + 1312.8451@6.7362514 6.7362514 (1313.8524, 2803.01)(1314.8582, 1433.92)(1315.8673, 2030.8) 1 1312.8451 1312.8451@6.7362514 + 1316.8765@6.7454967 6.7454967 (1317.8813, 5208.965)(1318.8868, 2291.3367)(1339.8684, 3592.955)(1340.874, 7160.36)(1341.8815, 9006.18)(1342.8876, 4202.05)(1343.894, 1342.05) 4 1316.8765 1316.8765@6.7454967 + 1364.3777@6.752245 6.752245 (1365.3849, 2092.45) 1 1364.3777 1364.3777@6.752245 + 613.3325@6.7652392 6.7652392 (614.3397, 6663.63)(615.343, 2197.44) 1 613.3325 613.3325@6.7652392 + 809.6494@6.7722363 6.7722363 (810.6567, 1394.3)(811.6671, 929.57) 1 809.6494 809.6494@6.7722363 + 1325.8512@6.777234 6.777234 (1326.8585, 5086.83)(1327.8656, 6726.46) 1 1325.8512 1325.8512@6.777234 + 555.295@6.7792335 6.7792335 (556.3023, 1773.58)(557.3215, 1289.27) 1 555.295 555.295@6.7792335 + 1013.6503@6.8389235 6.8389235 (1014.6577, 274379.38) 2 1013.6503 1013.6503@6.8389235 + 604.2976@6.90718 6.90718 (605.3049, 977.56) 1 604.2976 604.2976@6.90718 + 569.326@7.00014 7.00014 (570.3312, 1237.7)(587.3624, 1381.93) 1 569.326 569.326@7.00014 + 532.0785@7.152076 7.152076 (533.0858, 1362.96)(534.0843, 924.66) 1 532.0785 532.0785@7.152076 + 587.2896@7.172067 7.172067 (588.2969, 3846.17)(589.2991, 1617.9) 1 587.2896 587.2896@7.172067 + 646.2936@7.2940154 7.2940154 (647.3009, 1088.27) 1 646.2936 646.2936@7.2940154 + 552.3255@7.303332 7.303332 (553.33276, 6733.8174)(554.34204, 4020.6934)(555.34753, 1771.5801) 4 552.3255 552.3255@7.303332 + 650.3243@7.3709826 7.3709826 (651.3316, 989.12) 1 650.3243 650.3243@7.3709826 + 147.053@7.4359546 7.4359546 (148.0602, 1106.25) 1 147.053 147.053@7.4359546 + 398.1526@8.216613 8.216613 (399.1599, 3370.31)(400.1623, 815.39) 1 398.1526 398.1526@8.216613 + 292.1986@9.72794 9.72794 (293.2058, 2391.4)(294.2087, 930.24) 1 292.1986 292.1986@9.72794 + 556.9663@0.84170604 0.84170604 (557.9736, 2323.43)(558.973, 741.75) 1 556.9663 556.9663@0.84170604 + 209.9961@0.8447045 0.8447045 (421.0003, 1813.39)(438.0248, 1340.24)(211.0036, 1757.45) 1 209.9961 209.9961@0.8447045 + 487.9778@0.8453139 0.8453139 (488.985, 2021.27)(489.9862, 775.705) 2 487.9778 487.9778@0.8453139 + 298.1028@0.8683312 0.8683312 (299.11005, 6945.005)(300.11536, 1104.775) 2 298.1028 298.1028@0.8683312 + 1223.334@1.0038139 1.0038139 (1224.3412, 6720.227)(1225.3412, 3646.8826)(1226.3408, 1915.1566)(1227.3387, 1550.66) 7 1223.334 1223.334@1.0038139 + 1220.3367@1.0046707 1.0046707 (1221.3444, 13866.103)(1222.3431, 14692.487)(1223.3424, 10357.692) 7 1220.3367 1220.3367@1.0046707 + 745.1914@1.014773 1.014773 (746.19305, 4394.04)(747.1888, 2484.08)(748.18976, 1845.4634) 3 745.1914 745.1914@1.014773 + 637.2063@1.0201383 1.0201383 (638.2144, 2802.1821)(639.21533, 1764.9941)(640.21423, 1377.4) 5 637.2063 637.2063@1.0201383 + 641.522@1.0226034 1.0226034 (642.5293, 5439.35)(643.5323, 2225.56) 1 641.522 641.522@1.0226034 + 563.1885@1.0246022 1.0246022 (564.1958, 2459.34)(565.198, 1366.12)(566.1957, 915.49) 1 563.1885 563.1885@1.0246022 + 777.3593@1.0472348 1.0472348 (778.3661, 8169.795)(779.3702, 3730.7002)(780.3706, 1658.26) 2 777.3593 777.3593@1.0472348 + 608.4453@1.0595803 1.0595803 (609.4541, 5042.58)(626.4781, 4152.31)(627.4875, 1689.12) 1 608.4453 608.4453@1.0595803 + 593.5012@1.0509839 1.0509839 (594.5067, 1851.31)(595.51685, 1256.645)(596.5238, 4216.53)(597.5255, 1224.99)(598.5381, 4569.41) 4 593.5012 593.5012@1.0509839 + 760.3321@1.0612288 1.0612288 (761.3394, 7881.355)(762.3423, 3637.245)(763.34485, 1177.12) 2 760.3321 760.3321@1.0612288 + 348.2993@1.0635778 1.0635778 (349.3065, 1395.09) 1 348.2993 348.2993@1.0635778 + 375.2688@1.0656087 1.0656087 (768.5718, 1298.395)(769.57886, 918.94495)(770.5881, 1965.07)(771.5828, 800.11)(773.5303, 796.75)(376.27588, 3095.56) 2 375.2688 375.2688@1.0656087 + 476.3482@1.0665759 1.0665759 (477.3555, 4600.23)(478.3652, 3051.43) 1 476.3482 476.3482@1.0665759 + 575.4532@1.0700297 1.0700297 (576.4585, 4873.97)(598.4412, 3682.15) 3 575.4532 575.4532@1.0700297 + 541.1992@1.0736852 1.0736852 (542.2064, 6403.2397)(543.2108, 2147.305)(544.2137, 1291.26) 4 541.1992 541.1992@1.0736852 + 571.1912@1.0745708 1.0745708 (572.1985, 4320.31)(573.204, 1402.33) 1 571.1912 571.1912@1.0745708 + 783.4811@1.0755701 1.0755701 (784.4884, 1935.13)(785.4888, 1295.07)(786.5002, 2243.04) 1 783.4811 783.4811@1.0755701 + 505.3532@1.1498415 1.1498415 (506.36572, 3302.41)(507.36624, 2050.1602)(508.3529, 6155.02) 2 505.3532 505.3532@1.1498415 + 462.2925@1.0751898 1.0751898 (463.29895, 2292.67) 2 462.2925 462.2925@1.0751898 + 508.353@1.0775688 1.0775688 (509.3603, 3563.37) 1 508.353 508.353@1.0775688 + 793.5131@1.0785682 1.0785682 (794.5204, 1191.92) 1 793.5131 793.5131@1.0785682 + 641.3838@1.0785682 1.0785682 (642.3911, 1790.91)(643.388, 1042.92) 1 641.3838 641.3838@1.0785682 + 317.206@1.0795677 1.0795677 (657.4032, 1350.83)(318.2132, 7773.0) 1 317.206 317.206@1.0795677 + 392.2233@1.0805669 1.0805669 (393.2305, 4546.64) 1 392.2233 392.2233@1.0805669 + 471.2825@1.1441314 1.1441314 (472.29077, 2450.8901) 2 471.2825 471.2825@1.1441314 + 311.1201@1.0865631 1.0865631 (312.1274, 1465.99) 1 311.1201 311.1201@1.0865631 + 629.4111@1.0905604 1.0905604 (630.4184, 3315.59)(631.4316, 2144.61) 1 629.4111 629.4111@1.0905604 + 276.1219@1.091337 1.091337 (277.1286, 26909.074)(278.1329, 3621.605)(294.15564, 9021.5)(295.15668, 1377.645) 2 276.1219 276.1219@1.091337 + 233.1779@1.094214 1.094214 (234.18506, 3694.2) 2 233.1779 233.1779@1.094214 + 750.6226@1.097556 1.097556 (751.6343, 821.56)(752.6357, 434.92)(753.6362, 407.89)(768.6553, 2408.54) 1 750.6226 750.6226@1.097556 + 577.5388@1.1066759 1.1066759 (578.547, 1272.95)(579.5443, 652.4) 2 577.5388 577.5388@1.1066759 + 351.1535@1.1026429 1.1026429 (352.16235, 2566.865)(353.1643, 1215.425) 2 351.1535 351.1535@1.1026429 + 539.4245@1.1175427 1.1175427 (540.4317, 4426.34) 1 539.4245 539.4245@1.1175427 + 732.5162@1.1185421 1.1185421 (733.5235, 1311.91)(734.5391, 1249.1)(735.5411, 1452.24) 1 732.5162 732.5162@1.1185421 + 713.5014@1.1195414 1.1195414 (714.5087, 1659.87) 1 713.5014 713.5014@1.1195414 + 760.5651@1.1260989 1.1260989 (761.5736, 2321.5498)(762.5801, 1628.3)(743.5594, 1682.15)(744.5733, 1230.6) 2 760.5651 760.5651@1.1260989 + 218.097@1.127536 1.127536 (219.1043, 1747.23) 1 218.097 218.097@1.127536 + 84.0208@1.127536 1.127536 (85.0281, 878.13) 1 84.0208 84.0208@1.127536 + 192.1129@1.1787012 1.1787012 (385.2301, 2340.46)(193.12248, 3523.04) 3 192.1129 192.1129@1.1787012 + 757.5322@1.1046717 1.1046717 (758.5348, 1582.4751)(759.5472, 1196.515)(780.51794, 1044.845) 2 757.5322 757.5322@1.1046717 + 284.1945@1.1325327 1.1325327 (285.2018, 2554.65) 1 284.1945 284.1945@1.1325327 + 180.079@1.1483293 1.1483293 (181.08676, 2233.72)(163.0754, 16259.09)(164.0785, 2130.5) 2 180.079 180.079@1.1483293 + 445.3343@1.1345314 1.1345314 (446.3415, 2631.03) 1 445.3343 445.3343@1.1345314 + 637.3951@1.13653 1.13653 (638.4023, 1101.04) 1 637.3951 637.3951@1.13653 + 415.3654@1.1375294 1.1375294 (416.3727, 11614.2)(417.3748, 3224.28) 1 415.3654 415.3654@1.1375294 + 545.321@1.1505206 1.1505206 (546.3282, 1447.03)(547.3169, 1237.0) 1 545.321 545.321@1.1505206 + 222.1615@1.1595143 1.1595143 (223.1688, 4227.85)(224.1677, 1045.13) 1 222.1615 222.1615@1.1595143 + 610.4948@1.1525528 1.1525528 (611.5012, 1878.64)(612.50305, 1331.8)(613.5054, 967.7) 2 610.4948 610.4948@1.1525528 + 427.2571@1.1423031 1.1423031 (428.26392, 3808.94) 2 427.2571 427.2571@1.1423031 + 90.0469@1.1795006 1.1795006 (91.0541, 11397.89)(92.0578, 1146.66) 1 90.0469 90.0469@1.1795006 + 443.2516@1.2218076 1.2218076 (444.26343, 4883.62)(445.2844, 1851.07)(446.2751, 1988.34) 2 443.2516 443.2516@1.2218076 + 318.2909@1.1924914 1.1924914 (319.2982, 10837.67)(320.3011, 3153.11) 1 318.2909 318.2909@1.1924914 + 248.1044@1.1934907 1.1934907 (249.1116, 4540.53)(250.1185, 1034.26) 1 248.1044 248.1044@1.1934907 + 306.1458@1.1995445 1.1995445 (307.15256, 3294.8835)(308.1547, 1242.2201) 3 306.1458 306.1458@1.1995445 + 508.2682@1.2024844 1.2024844 (509.2755, 1262.47) 1 508.2682 508.2682@1.2024844 + 388.1885@1.2064816 1.2064816 (389.1958, 7288.6)(390.208, 2490.56) 1 388.1885 388.1885@1.2064816 + 354.1839@1.2084801 1.2084801 (355.1912, 4298.53) 1 354.1839 354.1839@1.2084801 + 414.3797@1.211478 1.211478 (415.3869, 2490.83) 1 414.3797 414.3797@1.211478 + 447.2807@1.2154751 1.2154751 (448.288, 9262.37)(449.2901, 3050.3) 1 447.2807 447.2807@1.2154751 + 243.1467@1.2154968 1.2154968 (509.2863, 996.09)(244.15407, 6728.7676)(245.15111, 2484.1501)(246.1414, 667.07)(261.1816, 4250.75) 4 243.1467 243.1467@1.2154968 + 281.2356@1.1811682 1.1811682 (580.5137, 2089.8)(581.5105, 983.49)(582.5043, 1003.49)(585.4677, 1642.7051)(282.24557, 2588.228) 5 281.2356 281.2356@1.1811682 + 460.3512@1.2225807 1.2225807 (461.35944, 3833.255)(462.35547, 2172.965)(463.34222, 7104.855) 2 460.3512 460.3512@1.2225807 + 467.2846@1.2234694 1.2234694 (468.2919, 2296.53) 1 467.2846 467.2846@1.2234694 + 319.1636@1.2234694 1.2234694 (320.1702, 11891.78)(321.17, 5200.12)(342.1563, 2423.86) 1 319.1636 319.1636@1.2234694 + 447.3536@1.2242922 1.2242922 (448.36118, 8091.6934)(449.3627, 2460.84) 3 447.3536 447.3536@1.2242922 + 561.378@1.2520424 1.2520424 (562.38855, 1446.675)(563.3999, 800.36) 2 561.378 561.378@1.2520424 + 456.2147@1.247452 1.247452 (457.222, 2400.58) 1 456.2147 456.2147@1.247452 + 397.3154@1.2344985 1.2344985 (398.3192, 4870.9297)(399.3248, 2960.74) 2 397.3154 397.3154@1.2344985 + 370.1238@1.2554462 1.2554462 (371.1311, 2742.44)(372.1376, 978.28) 1 370.1238 370.1238@1.2554462 + 798.5848@1.2574447 1.2574447 (799.5883, 866.82)(781.5825, 3287.61)(782.5801, 1957.95)(783.5883, 1461.6) 1 798.5848 798.5848@1.2574447 + 295.248@1.2634403 1.2634403 (591.5072, 1477.22)(592.5101, 857.04)(593.4915, 4431.03)(594.4942, 2251.92)(296.2543, 3091.39) 1 295.248 295.248@1.2634403 + 492.1621@1.2704351 1.2704351 (493.1694, 1381.21) 1 492.1621 492.1621@1.2704351 + 807.5872@1.2894207 1.2894207 (808.5945, 1759.41)(809.5955, 1285.26) 1 807.5872 807.5872@1.2894207 + 693.5144@1.3229966 1.3229966 (694.5215, 3555.8)(695.5238, 1368.335) 2 693.5144 693.5144@1.3229966 + 280.0921@1.3443786 1.3443786 (281.0993, 2906.92)(282.1039, 900.89) 1 280.0921 280.0921@1.3443786 + 214.1183@1.3494776 1.3494776 (215.1261, 15536.8955)(216.1276, 2146.17) 2 214.1183 214.1183@1.3494776 + 215.08@1.3473762 1.3473762 (216.0872, 6821.92) 1 215.08 215.08@1.3473762 + 433.2337@1.3913411 1.3913411 (434.2409, 1805.86)(435.2475, 868.74) 1 433.2337 433.2337@1.3913411 + 431.3182@1.3973362 1.3973362 (432.3254, 1412.05)(433.331, 806.65) 1 431.3182 431.3182@1.3973362 + 1426.382@1.5242288 1.5242288 (1427.3892, 1067.31) 1 1426.382 1426.382@1.5242288 + 152.0851@1.5381916 1.5381916 (153.09235, 4656.375)(154.0863, 1418.36)(155.0822, 930.24) 2 152.0851 152.0851@1.5381916 + 287.1374@1.5604528 1.5604528 (288.14456, 4627.23)(289.1469, 1168.935)(290.153, 1002.96) 2 287.1374 287.1374@1.5604528 + 438.06@1.5841751 1.5841751 (439.0673, 886.24) 1 438.06 438.06@1.5841751 + 192.0253@1.5861733 1.5861733 (193.0326, 1244.5) 1 192.0253 192.0253@1.5861733 + 888.6265@1.5971632 1.5971632 (889.6338, 1570.12)(890.6387, 928.5) 1 888.6265 888.6265@1.5971632 + 966.567@1.6154145 1.6154145 (967.5752, 1828.95)(968.5768, 1775.15)(969.577, 855.66)(989.5554, 2011.2)(990.55896, 1182.745)(991.5612, 830.69) 2 966.567 966.567@1.6154145 + 574.9869@1.6199124 1.6199124 (575.9946, 2486.145)(576.9956, 1027.24) 2 574.9869 574.9869@1.6199124 + 356.2599@1.6413269 1.6413269 (357.2672, 2099.29) 2 356.2599 356.2599@1.6413269 + 80.0262@1.6441193 1.6441193 (81.0335, 1156.1) 1 80.0262 80.0262@1.6441193 + 231.1833@1.6568129 1.6568129 (232.1907, 1845.6699)(233.1926, 923.5) 2 231.1833 231.1833@1.6568129 + 188.1418@1.6750897 1.6750897 (189.1491, 1150.34) 1 188.1418 188.1418@1.6750897 + 356.2631@1.6780869 1.6780869 (357.2676, 2264.59)(339.2617, 2647.91)(340.2649, 978.99) 1 356.2631 356.2631@1.6780869 + 629.4737@2.1016288 2.1016288 (630.4809, 1602.16)(631.4811, 1009.97) 1 629.4737 629.4737@2.1016288 + 262.9275@2.2224798 2.2224798 (263.9348, 1407.75) 1 262.9275 262.9275@2.2224798 + 262.9263@2.265678 2.265678 (263.93375, 994.06494) 2 262.9263 262.9263@2.265678 + 404.1529@2.757719 2.757719 (405.1601, 1581.77) 1 404.1529 404.1529@2.757719 + 579.1471@2.7587175 2.7587175 (580.1544, 1906.96)(581.1683, 838.71) 1 579.1471 579.1471@2.7587175 + 945.2611@2.8066413 2.8066413 (946.2684, 1257.97)(947.267, 1216.78) 1 945.2611 945.2611@2.8066413 + 579.1471@2.8653917 2.8653917 (580.155, 1702.45)(581.1659, 907.21) 2 579.1471 579.1471@2.8653917 + 286.0715@2.8941445 2.8941445 (287.08044, 1239.0) 2 286.0715 286.0715@2.8941445 + 392.1005@2.9341073 2.9341073 (785.2121, 819.25)(393.10754, 2474.845)(394.1139, 691.16) 2 392.1005 392.1005@2.9341073 + 486.0836@2.9933312 2.9933312 (487.0909, 921.22) 1 486.0836 486.0836@2.9933312 + 318.1289@3.0919678 3.0919678 (319.13638, 6280.1797)(320.1413, 1899.83) 3 318.1289 318.1289@3.0919678 + 681.1216@3.1161158 3.1161158 (682.1288, 2589.42) 1 681.1216 681.1216@3.1161158 + 306.0189@3.1161158 3.1161158 (307.0262, 4941.43)(308.0276, 1035.8) 1 306.0189 306.0189@3.1161158 + 585.1013@3.13608 3.13608 (586.1086, 2826.93)(587.1155, 716.74)(588.1242, 879.17) 1 585.1013 585.1013@3.13608 + 117.0579@3.143156 3.143156 (118.065155, 3587.3901)(119.0671, 1020.15) 2 117.0579 117.0579@3.143156 + 306.0191@3.1600368 3.1600368 (307.0264, 4723.99) 1 306.0191 306.0191@3.1600368 + 389.1314@3.1610348 3.1610348 (390.1387, 2137.19)(391.1397, 979.97) 1 389.1314 389.1314@3.1610348 + 495.0708@3.1869876 3.1869876 (496.0781, 1938.01) 1 495.0708 495.0708@3.1869876 + 254.1377@3.518347 3.518347 (255.1449, 3074.0)(256.1504, 1309.82) 1 254.1377 254.1377@3.518347 + 761.0442@3.576228 3.576228 (762.0514, 1257.22) 1 761.0442 761.0442@3.576228 + 429.0943@3.6001782 3.6001782 (430.1015, 1275.52)(452.084, 846.94) 1 429.0943 429.0943@3.6001782 + 385.1303@3.6028152 3.6028152 (386.13776, 3307.855)(387.14114, 974.235)(408.1197, 1384.33) 2 385.1303 385.1303@3.6028152 + 550.1182@3.625126 3.625126 (551.1255, 1443.56) 1 550.1182 550.1182@3.625126 + 566.0739@3.8079686 3.8079686 (567.0815, 1963.0149)(568.0829, 967.77) 2 566.0739 566.0739@3.8079686 + 775.5497@3.955398 3.955398 (776.557, 1560.13) 1 775.5497 775.5497@3.955398 + 985.6898@4.2506886 4.2506886 (986.6971, 955.33)(987.6872, 877.86) 1 985.6898 985.6898@4.2506886 + 263.2247@4.2945786 4.2945786 (264.232, 2271.62) 1 263.2247 263.2247@4.2945786 + 985.6944@4.3569145 4.3569145 (986.7, 980.21)(987.6905, 643.59) 2 985.6944 985.6944@4.3569145 + 389.1801@4.3873415 4.3873415 (390.1874, 1821.83)(391.1907, 688.19) 1 389.1801 389.1801@4.3873415 + 513.049@4.394462 4.394462 (514.0564, 1400.825) 2 513.049 513.049@4.394462 + 315.0957@4.4174 4.4174 (316.10284, 2878.7249)(317.1056, 849.23) 2 315.0957 315.0957@4.4174 + 982.1324@4.4222503 4.4222503 (983.1396, 2153.4)(984.1453, 885.82) 1 982.1324 982.1324@4.4222503 + 505.7634@4.6408916 4.6408916 (506.77075, 5507.043)(507.774, 883.165) 3 505.7634 505.7634@4.6408916 + 247.088@4.663515 4.663515 (248.09563, 2737.6934)(249.1028, 979.82)(270.07684, 5720.185)(271.08124, 1039.47) 3 247.088 247.088@4.663515 + 299.1944@4.674047 4.674047 (300.20187, 1857.3334)(301.2, 779.38)(282.191, 14389.184)(283.18906, 3104.8398)(284.18906, 1441.0249) 3 299.1944 299.1944@4.674047 + 680.5887@4.9986377 4.9986377 (681.596, 1128.9)(682.6017, 584.0) 1 680.5887 680.5887@4.9986377 + 634.1243@5.165107 5.165107 (635.1321, 2479.35)(636.1356, 807.885) 2 634.1243 634.1243@5.165107 + 688.4208@5.4033713 5.4033713 (689.4281, 2752.68)(690.4302, 1416.83) 1 688.4208 688.4208@5.4033713 + 958.5197@5.419319 5.419319 (959.527, 1435.6) 1 958.5197 958.5197@5.419319 + 979.505@5.423602 5.423602 (980.5187, 861.22)(981.5233, 793.725)(982.5399, 254.43) 2 979.505 979.505@5.423602 + 1271.3169@5.452211 5.452211 (1272.3241, 712.89)(1273.3245, 979.83)(1274.3234, 741.74) 1 1271.3169 1271.3169@5.452211 + 1276.8286@5.438355 5.438355 (1277.8303, 1050.7151)(1278.8239, 941.4725)(1279.8315, 1299.195)(1280.8241, 904.7266)(1281.8225, 696.09)(1282.8285, 718.27)(1283.8213, 1002.64)(1299.8232, 961.24)(1300.8276, 798.7)(1301.8326, 734.05) 4 1276.8286 1276.8286@5.438355 + 1202.3147@5.4621634 5.4621634 (1203.3236, 2050.1467)(1204.329, 2093.9368)(1205.3335, 1451.11) 3 1202.3147 1202.3147@5.4621634 + 840.6184@5.469161 5.469161 (841.62476, 83807.19)(842.6346, 63453.0) 2 840.6184 840.6184@5.469161 + 927.5859@5.4572787 5.4572787 (928.5959, 3092.0151)(929.5973, 1675.865) 2 927.5859 927.5859@5.4572787 + 840.0352@5.518989 5.518989 (841.0424, 975.25)(842.0427, 618.89) 1 840.0352 840.0352@5.518989 + 1202.3403@5.505867 5.505867 (1203.3436, 1188.3265)(1204.3398, 1242.4634)(1205.3363, 1250.8734) 3 1202.3403 1202.3403@5.505867 + 885.6563@5.522976 5.522976 (886.6561, 1308.41)(887.6613, 652.67)(868.6532, 23297.01)(869.6563, 13741.46)(870.6613, 6000.81) 1 885.6563 885.6563@5.522976 + 1580.1152@5.519468 5.519468 (1581.124, 1185.7767)(1582.1313, 1235.3467)(1583.1351, 968.9466) 3 1580.1152 1580.1152@5.519468 + 1231.3192@5.528956 5.528956 (1232.3265, 1185.31) 1 1231.3192 1231.3192@5.528956 + 905.0619@5.556862 5.556862 (906.0692, 2569.1)(907.0712, 1001.05) 1 905.0619 905.0619@5.556862 + 1155.09@5.577383 5.577383 (1156.0969, 1004.12)(1157.1003, 745.35) 2 1155.09 1155.09@5.577383 + 769.0534@5.6166587 5.6166587 (1539.1143, 4479.61)(770.0605, 3679.56)(771.0689, 1110.37)(772.0749, 781.31) 1 769.0534 769.0534@5.6166587 + 915.5749@5.7536316 5.7536316 (916.58185, 1594.405)(917.58276, 941.68005) 2 915.5749 915.5749@5.7536316 + 852.5372@5.728504 5.728504 (853.5493, 3457.815)(854.55695, 2055.73)(855.55927, 1008.185) 2 852.5372 852.5372@5.728504 + 677.4243@5.7840776 5.7840776 (678.4315, 3818.38)(679.4337, 1321.98)(680.4494, 375.41) 1 677.4243 677.4243@5.7840776 + 1174.8558@5.816143 5.816143 (1175.862, 1786.7449)(1176.8693, 1061.76) 2 1174.8558 1174.8558@5.816143 + 853.0494@5.8299146 5.8299146 (854.0567, 1070.0)(855.0518, 893.02)(856.0544, 1079.27) 1 853.0494 853.0494@5.8299146 + 942.5395@5.897565 5.897565 (943.54065, 1776.0349)(944.5346, 1205.74)(945.5448, 958.67) 2 942.5395 942.5395@5.897565 + 812.4277@5.83768 5.83768 (813.43475, 1552.0449)(814.44977, 1327.395) 2 812.4277 812.4277@5.83768 + 824.5352@5.8358936 5.8358936 (825.5467, 3528.12)(826.5294, 1527.9)(827.5345, 1207.62)(842.5672, 2919.85) 1 824.5352 824.5352@5.8358936 + 827.4482@5.8358936 5.8358936 (828.4556, 854.73)(810.4449, 1473.98)(811.4466, 898.21)(812.4308, 2721.74) 1 827.4482 827.4482@5.8358936 + 449.7636@5.836683 5.836683 (922.5164, 2496.79)(923.5113, 1332.26)(924.5243, 3593.06)(925.5271, 1972.33)(926.5357, 2663.29)(927.5364, 916.03)(928.5497, 2526.76)(450.7716, 1764.9199) 2 449.7636 449.7636@5.836683 + 657.3619@5.837697 5.837697 (658.371, 2391.665)(659.37305, 1066.8201) 2 657.3619 657.3619@5.837697 + 988.5023@5.841872 5.841872 (989.5095, 1176.18) 1 988.5023 988.5023@5.841872 + 671.3816@5.8478503 5.8478503 (672.3888, 3684.23)(673.4005, 1569.01)(674.3687, 4354.64)(675.3745, 1461.42)(676.3769, 1001.04) 1 671.3816 671.3816@5.8478503 + 1116.7856@5.8568187 5.8568187 (1117.7928, 1694.98) 1 1116.7856 1116.7856@5.8568187 + 649.3957@5.916232 5.916232 (650.4027, 2011.99)(651.4069, 1054.3866)(632.39154, 5779.835)(633.3961, 2104.28)(634.39453, 772.97)(667.4368, 950.47) 4 649.3957 649.3957@5.916232 + 881.6568@5.906639 5.906639 (882.6641, 1033.06) 1 881.6568 881.6568@5.906639 + 994.5423@5.9634323 5.9634323 (995.55, 772.24)(1017.5313, 890.45)(1018.5272, 951.88) 1 994.5423 994.5423@5.9634323 + 972.4888@5.90394 5.90394 (973.50464, 2206.595)(974.5155, 2177.9849)(975.5153, 1614.3601) 2 972.4888 972.4888@5.90394 + 946.5495@5.965425 5.965425 (947.5582, 1304.58)(948.5608, 1546.99)(929.5445, 1740.24) 1 946.5495 946.5495@5.965425 + 984.5266@5.967225 5.967225 (985.5334, 1472.3)(986.5383, 1311.99)(1007.505, 888.02) 2 984.5266 984.5266@5.967225 + 227.0917@5.994319 5.994319 (228.0989, 1868.39) 1 227.0917 227.0917@5.994319 + 661.4325@6.135791 6.135791 (662.4398, 5571.29)(663.4425, 1983.62) 1 661.4325 661.4325@6.135791 + 740.4088@6.191414 6.191414 (741.41736, 2940.9849)(742.42017, 1566.205)(758.4383, 1244.2) 2 740.4088 740.4088@6.191414 + 852.5355@6.253341 6.253341 (853.5428, 1257.03) 1 852.5355 852.5355@6.253341 + 647.38@6.2762527 6.2762527 (648.3873, 9260.74)(649.39, 3076.35) 1 647.38 647.38@6.2762527 + 765.3818@6.3413305 6.3413305 (766.3891, 1368.09)(767.3956, 890.92505) 2 765.3818 765.3818@6.3413305 + 667.4064@6.3609214 6.3609214 (668.4137, 5275.59)(669.4042, 2247.14) 1 667.4064 667.4064@6.3609214 + 926.5289@6.653734 6.653734 (927.5361, 546.81)(928.5462, 583.52)(929.5503, 629.86) 1 926.5289 926.5289@6.653734 + 566.4164@6.6656847 6.6656847 (567.4199, 963.67)(549.4144, 2724.17) 1 566.4164 566.4164@6.6656847 + 666.3949@6.7204556 6.7204556 (667.4022, 1489.96) 1 666.3949 666.3949@6.7204556 + 1040.6777@6.733401 6.733401 (1041.685, 113664.42)(1042.688, 65102.48)(1043.6954, 26071.38) 1 1040.6777 1040.6777@6.733401 + 1109.1819@6.756304 6.756304 (1110.1891, 1742.37)(1111.1906, 1571.04)(1112.2025, 1634.38)(1113.2094, 910.11) 1 1109.1819 1109.1819@6.756304 + 1096.1746@6.7630305 6.7630305 (1097.1799, 2214.275)(1098.1848, 2266.725)(1099.1931, 1980.64)(1100.1809, 1321.02)(1101.1805, 1302.34) 2 1096.1746 1096.1746@6.7630305 + 633.3735@6.7760534 6.7760534 (634.38086, 2769.795)(635.396, 1344.685) 2 633.3735 633.3735@6.7760534 + 836.4959@6.78319 6.78319 (837.5017, 1541.55)(819.4932, 3163.94) 1 836.4959 836.4959@6.78319 + 1108.6711@6.7605505 6.7605505 (1109.6704, 1776.3099)(1110.6826, 1548.66) 2 1108.6711 1108.6711@6.7605505 + 1078.1519@6.7983217 6.7983217 (1079.1508, 2083.8699)(1080.1538, 2038.2849)(1081.1481, 1230.25) 2 1078.1519 1078.1519@6.7983217 + 542.3177@6.791156 6.791156 (543.325, 156324.67) 1 542.3177 542.3177@6.791156 + 1113.6599@6.794143 6.794143 (1114.6672, 1672.12) 1 1113.6599 1113.6599@6.794143 + 676.3989@6.880771 6.880771 (677.4062, 3712.54)(678.4152, 1599.64) 1 676.3989 676.3989@6.880771 + 617.32@6.9409456 6.9409456 (618.327, 2336.295)(619.3274, 1279.8)(640.309, 6739.77)(641.3118, 2701.18)(642.3007, 7314.55) 2 617.32 617.32@6.9409456 + 392.231@6.890728 6.890728 (785.4696, 2171.32)(786.4689, 982.39)(787.4729, 913.28)(393.238, 1044.71) 1 392.231 392.231@6.890728 + 537.3051@6.930555 6.930555 (538.3124, 3001.08)(539.3162, 1412.57) 1 537.3051 537.3051@6.930555 + 372.2167@7.052861 7.052861 (745.4422, 1770.875)(746.4454, 532.83496)(373.22415, 945.765) 2 372.2167 372.2167@7.052861 + 426.7829@7.0669518 7.0669518 (427.7901, 1086.07) 1 426.7829 426.7829@7.0669518 + 370.0389@7.163048 7.163048 (371.04636, 6468.803)(372.04947, 993.76666)(373.04272, 2315.4768) 3 370.0389 370.0389@7.163048 + 669.2879@7.16949 7.16949 (670.2952, 1720.58) 1 669.2879 669.2879@7.16949 + 630.297@7.1834264 7.1834264 (631.3043, 2690.07) 1 630.297 630.297@7.1834264 + 309.1582@7.186841 7.186841 (310.1648, 1267.78)(311.1801, 649.69) 2 309.1582 309.1582@7.186841 + 670.2884@7.186413 7.186413 (671.2956, 656.68)(672.3031, 317.84) 1 670.2884 670.2884@7.186413 + 591.3175@7.2988954 7.2988954 (592.3238, 7161.26)(614.3073, 6596.0)(615.3105, 2401.67) 1 591.3175 591.3175@7.2988954 + 287.175@7.3586164 7.3586164 (288.1823, 1476.64) 1 287.175 287.175@7.3586164 + 425.1803@7.5168643 7.5168643 (426.1876, 1113.21) 1 425.1803 425.1803@7.5168643 + 435.1636@7.878075 7.878075 (436.1709, 1253.03) 1 435.1636 435.1636@7.878075 + 451.1963@7.9327955 7.9327955 (452.2036, 904.21) 1 451.1963 451.1963@7.9327955 + 326.2029@8.077046 8.077046 (327.2102, 2515.47)(328.2055, 846.8) 1 326.2029 326.2029@8.077046 + 88.1001@8.446054 8.446054 (89.1074, 3152.74) 1 88.1001 88.1001@8.446054 + 413.145@8.740385 8.740385 (414.1523, 1975.74) 1 413.145 413.145@8.740385 + 188.1715@9.048563 9.048563 (189.1788, 1617.54) 1 188.1715 188.1715@9.048563 + 759.9234@9.289085 9.289085 (760.9307, 897.3) 1 759.9234 759.9234@9.289085 + 726.9325@9.612024 9.612024 (727.9398, 1138.31)(728.9408, 834.49) 1 726.9325 726.9325@9.612024 + 147.0112@13.29091 13.29091 (148.0185, 1870.13) 1 147.0112 147.0112@13.29091 + 1069.2115@0.88508147 0.88508147 (1070.2188, 9843.01)(1071.2195, 5780.48)(1072.2162, 3866.28) 1 1069.2115 1069.2115@0.88508147 + 1067.0504@0.8880819 0.8880819 (1068.0577, 2960.87)(1069.0569, 1240.06)(1070.0544, 1296.26) 1 1067.0504 1067.0504@0.8880819 + 1072.1969@0.8880819 0.8880819 (1073.2042, 2608.36)(1074.1945, 1752.89)(1075.1765, 2386.54)(1076.1755, 1089.64) 1 1072.1969 1072.1969@0.8880819 + 1337.2152@0.8880819 0.8880819 (1338.2225, 3124.57)(1339.2225, 1746.95)(1340.2205, 1660.68)(1341.2146, 651.43) 1 1337.2152 1337.2152@0.8880819 + 394.3544@0.8910823 0.8910823 (395.3617, 2626.44)(396.3596, 990.79) 1 394.3544 394.3544@0.8910823 + 263.9958@1.0003885 1.0003885 (265.0031, 5202.66) 2 263.9958 263.9958@1.0003885 + 688.1931@1.0191841 1.0191841 (689.20044, 188884.88)(690.19916, 61052.902)(691.19824, 18097.127)(692.19696, 4401.4604)(693.1931, 904.475) 3 688.1931 688.1931@1.0191841 + 612.0453@1.0221026 1.0221026 (613.0526, 2230.28) 1 612.0453 612.0453@1.0221026 + 615.2692@1.0281037 1.0281037 (616.2765, 3152.14)(617.2771, 977.85) 1 615.2692 615.2692@1.0281037 + 446.1108@1.0511074 1.0511074 (447.1181, 3735.53)(448.1128, 1603.6) 1 446.1108 446.1108@1.0511074 + 1279.3279@1.0581086 1.0581086 (1280.3352, 1253.98)(1281.3304, 1562.57)(1282.3319, 903.23) 1 1279.3279 1279.3279@1.0581086 + 1446.3903@1.0548848 1.0548848 (1447.3971, 2697.23)(1448.3942, 1470.4)(1449.395, 1011.0) 3 1446.3903 1446.3903@1.0548848 + 1218.36@1.0611091 1.0611091 (1219.3672, 1195.95)(1220.3546, 1415.78)(1221.3516, 1383.37) 1 1218.36 1218.36@1.0611091 + 967.76@1.0621094 1.0621094 (968.7673, 1132.0) 1 967.76 967.76@1.0621094 + 1042.2705@1.0613884 1.0613884 (1043.2778, 2086.69)(1044.2751, 1264.455) 2 1042.2705 1042.2705@1.0613884 + 555.3975@1.0738834 1.0738834 (556.40546, 4052.2349)(557.3997, 2183.145)(558.3962, 5903.61)(559.3988, 2504.78)(560.413, 0.0) 2 555.3975 555.3975@1.0738834 + 220.111@1.0751115 1.0751115 (441.2313, 1444.66)(221.1173, 2332.82) 1 220.111 220.111@1.0751115 + 1520.4073@1.0743864 1.0743864 (1521.415, 1770.13)(1522.413, 1006.56) 2 1520.4073 1520.4073@1.0743864 + 300.1597@1.0781119 1.0781119 (301.1665, 2599.96)(318.1938, 7286.33)(319.1957, 2207.71)(320.1891, 1779.53) 1 300.1597 300.1597@1.0781119 + 773.4819@1.086414 1.086414 (774.4844, 1031.97)(775.4797, 656.265)(776.475, 739.01)(777.4773, 686.46) 2 773.4819 773.4819@1.086414 + 602.4928@1.0861132 1.0861132 (603.4994, 2105.38)(625.4838, 1310.68) 1 602.4928 602.4928@1.0861132 + 586.3271@1.090114 1.090114 (587.337, 1201.61)(569.3229, 2814.42)(570.3255, 2054.09) 1 586.3271 586.3271@1.090114 + 311.2126@1.090114 1.090114 (312.2196, 3341.35)(294.2097, 3032.43) 1 311.2126 311.2126@1.090114 + 787.6851@1.090114 1.090114 (788.6923, 1216.8)(789.6974, 575.09)(790.6903, 529.15) 1 787.6851 787.6851@1.090114 + 345.2868@1.091114 1.091114 (346.2945, 6486.42)(363.3191, 1343.54) 1 345.2868 345.2868@1.091114 + 767.6584@1.091114 1.091114 (768.6657, 3485.8) 1 767.6584 767.6584@1.091114 + 294.2908@1.0941147 1.0941147 (295.298, 1842.1) 1 294.2908 294.2908@1.0941147 + 785.5978@1.0942233 1.0942233 (786.60364, 1667.24)(787.6103, 1106.0737)(788.61255, 921.105) 8 785.5978 785.5978@1.0942233 + 448.3527@1.0958767 1.0958767 (449.36084, 4188.215)(450.3562, 2659.83)(451.3421, 4188.61) 2 448.3527 448.3527@1.0958767 + 310.2975@1.1181188 1.1181188 (621.6007, 3884.46)(622.6096, 2452.99)(311.3059, 2485.51) 1 310.2975 310.2975@1.1181188 + 1589.4288@1.1167741 1.1167741 (1590.4341, 1041.3375)(1591.435, 1540.375)(1592.4359, 1914.415)(1593.435, 1635.4374)(1594.4346, 1527.6951) 4 1589.4288 1589.4288@1.1167741 + 663.454@1.1211193 1.1211193 (664.4577, 1550.09)(646.4527, 2156.52)(647.4566, 1669.8) 1 663.454 663.454@1.1211193 + 288.2076@1.1251199 1.1251199 (289.2149, 3356.79)(290.2176, 1348.65) 1 288.2076 288.2076@1.1251199 + 428.2207@1.1291206 1.1291206 (429.228, 2410.1) 1 428.2207 428.2207@1.1291206 + 519.1324@1.131121 1.131121 (520.1397, 1417.3)(521.138, 854.99)(522.1461, 1390.84) 1 519.1324 519.1324@1.131121 + 570.4203@1.137122 1.137122 (571.4307, 1243.63)(553.4157, 2068.76) 1 570.4203 570.4203@1.137122 + 213.1158@1.1381222 1.1381222 (214.1231, 21419.39)(215.127, 3918.74) 1 213.1158 213.1158@1.1381222 + 154.0641@1.1391225 1.1391225 (155.0714, 1374.03) 1 154.0641 154.0641@1.1391225 + 335.1976@1.199846 1.199846 (336.20837, 3033.45)(353.2312, 7353.19) 2 335.1976 335.1976@1.199846 + 475.2579@1.1511245 1.1511245 (476.2652, 1932.4)(477.2527, 1108.18) 1 475.2579 475.2579@1.1511245 + 643.4727@1.1581256 1.1581256 (644.48, 3204.31)(645.4773, 1511.17) 1 643.4727 643.4727@1.1581256 + 431.3599@1.1891311 1.1891311 (432.3671, 2214.56)(433.3679, 1244.45) 1 431.3599 431.3599@1.1891311 + 157.074@1.2051342 1.2051342 (158.0813, 7373.08)(159.0853, 1546.82) 1 157.074 157.074@1.2051342 + 154.0996@1.2072766 1.2072766 (309.2062, 4651.55)(326.2318, 1155.13)(331.19113, 4255.607)(332.2037, 2163.81)(155.10683, 3405.3367)(137.0954, 2439.38)(172.1329, 5829.45) 3 154.0996 154.0996@1.2072766 + 273.1574@1.210135 1.210135 (274.1647, 3459.05)(275.167, 1140.68) 1 273.1574 273.1574@1.210135 + 122.0729@1.1855513 1.1855513 (123.0797, 4086.2651)(105.0697, 10387.0)(106.0733, 1342.17) 2 122.0729 122.0729@1.1855513 + 968.2518@1.2181364 1.2181364 (969.2591, 834.6) 1 968.2518 968.2518@1.2181364 + 294.2556@1.2261378 1.2261378 (295.2629, 6956.77) 1 294.2556 294.2556@1.2261378 + 254.1984@1.2362343 1.2362343 (255.20735, 8409.437) 3 254.1984 254.1984@1.2362343 + 415.2534@1.2441411 1.2441411 (416.2607, 3621.97)(417.2629, 1294.92) 1 415.2534 415.2534@1.2441411 + 140.1201@1.2461416 1.2461416 (141.1268, 1452.44)(123.117, 5484.06) 1 140.1201 140.1201@1.2461416 + 431.355@1.2531428 1.2531428 (432.3623, 1173.31) 1 431.355 431.355@1.2531428 + 560.4038@1.2611443 1.2611443 (561.4158, 1517.01)(578.4372, 18998.54)(579.4442, 4162.49)(580.437, 1518.73) 1 560.4038 560.4038@1.2611443 + 526.4253@1.2611443 1.2611443 (527.4296, 4775.07)(528.4213, 1614.57)(549.4158, 14250.57)(550.4181, 3758.71) 1 526.4253 526.4253@1.2611443 + 379.1332@1.261699 1.261699 (380.14023, 1847.6279)(381.14432, 885.5534) 5 379.1332 379.1332@1.261699 + 602.4793@1.2641449 1.2641449 (603.4866, 1335.35)(604.5068, 768.01)(605.4814, 2033.62) 1 602.4793 602.4793@1.2641449 + 334.1427@1.28792 1.28792 (335.15356, 1298.78)(336.1651, 550.22)(337.1517, 1082.13) 2 334.1427 334.1427@1.28792 + 1243.3527@1.2861489 1.2861489 (1244.36, 1244.3)(1245.3577, 1023.26)(1246.3578, 1457.86)(1247.3555, 1104.97) 1 1243.3527 1243.3527@1.2861489 + 316.1679@1.3001515 1.3001515 (317.1752, 3094.36) 1 316.1679 316.1679@1.3001515 + 377.3044@1.302152 1.302152 (378.3117, 1124.89) 1 377.3044 377.3044@1.302152 + 232.1667@1.3051524 1.3051524 (233.1739, 4762.35)(234.1795, 1118.75) 1 232.1667 232.1667@1.3051524 + 1664.4482@1.2529265 1.2529265 (1665.4552, 796.55005)(1666.4553, 946.435)(1667.4531, 866.89)(1668.4539, 536.33) 2 1664.4482 1664.4482@1.2529265 + 173.1412@1.306355 1.306355 (174.14835, 3702.625)(175.1494, 628.66) 2 173.1412 173.1412@1.306355 + 184.1197@1.3091533 1.3091533 (185.1269, 35220.55) 1 184.1197 184.1197@1.3091533 + 156.126@1.3053623 1.3053623 (157.13275, 7531.565) 2 156.126 156.126@1.3053623 + 968.2536@1.3251563 1.3251563 (969.2608, 896.01) 1 968.2536 968.2536@1.3251563 + 179.1242@1.3291571 1.3291571 (180.1315, 7381.21)(181.1292, 2363.74) 1 179.1242 179.1242@1.3291571 + 800.2399@1.3381588 1.3381588 (801.2472, 1122.3) 1 800.2399 800.2399@1.3381588 + 258.1257@1.3411593 1.3411593 (259.133, 7736.89)(260.1287, 934.09) 1 258.1257 258.1257@1.3411593 + 237.1564@1.3551621 1.3551621 (238.161, 4798.89)(220.154, 6019.03) 1 237.1564 237.1564@1.3551621 + 386.176@1.3878973 1.3878973 (387.1864, 1831.255)(388.1955, 504.54)(389.1942, 1874.82) 2 386.176 386.176@1.3878973 + 232.1217@1.4011711 1.4011711 (465.2561, 601.57)(233.1289, 14273.86) 1 232.1217 232.1217@1.4011711 + 236.2193@1.4351777 1.4351777 (237.2266, 1870.38) 1 236.2193 236.2193@1.4351777 + 728.4095@1.4597746 1.4597746 (729.4182, 1314.865)(730.4266, 806.19) 2 728.4095 728.4095@1.4597746 + 232.1215@1.4731854 1.4731854 (233.1288, 6361.49)(234.1338, 1259.35) 1 232.1215 232.1215@1.4731854 + 229.017@1.5081925 1.5081925 (230.0243, 1533.45) 1 229.017 229.017@1.5081925 + 217.1464@1.5502012 1.5502012 (218.1537, 4657.2) 1 217.1464 217.1464@1.5502012 + 253.1345@1.5761081 1.5761081 (254.1431, 3010.8423)(236.1304, 10221.64)(237.13905, 1829.9149) 4 253.1345 253.1345@1.5761081 + 514.323@1.5822079 1.5822079 (515.3303, 1022.4)(516.3398, 587.97) 1 514.323 514.323@1.5822079 + 536.2581@1.5992115 1.5992115 (537.2654, 1086.28)(538.2533, 731.04) 1 536.2581 536.2581@1.5992115 + 186.0872@1.6082134 1.6082134 (187.0945, 5096.19)(188.0992, 1639.47) 1 186.0872 186.0872@1.6082134 + 135.1045@1.6352191 1.6352191 (136.1117, 7450.67)(137.1147, 1397.75) 1 135.1045 135.1045@1.6352191 + 677.2326@1.639271 1.639271 (678.2401, 2592.67)(679.244, 1253.01) 2 677.2326 677.2326@1.639271 + 272.0384@1.6572238 1.6572238 (273.0456, 1532.37) 1 272.0384 272.0384@1.6572238 + 89.084@1.6942319 1.6942319 (90.0913, 30934.94)(91.0953, 1397.21)(72.0806, 2979.1) 1 89.084 89.084@1.6942319 + 448.1711@1.7022299 1.7022299 (449.1783, 1655.125)(450.1796, 747.76) 2 448.1711 448.1711@1.7022299 + 294.0641@1.8532671 1.8532671 (295.0713, 1176.43) 1 294.0641 294.0641@1.8532671 + 313.9897@1.9032785 1.9032785 (314.9969, 1280.75) 1 313.9897 313.9897@1.9032785 + 950.2599@2.1118221 2.1118221 (951.2672, 2351.5898)(952.26715, 1523.655)(953.2658, 926.07) 2 950.2599 950.2599@2.1118221 + 1319.3553@2.111327 2.111327 (1320.3627, 1503.62)(1321.3595, 1420.45)(1322.3579, 999.01) 1 1319.3553 1319.3553@2.111327 + 1393.3713@2.112327 2.112327 (1394.3785, 1017.63)(1395.3744, 1135.16)(1396.3779, 802.38) 1 1393.3713 1393.3713@2.112327 + 239.2251@2.616449 2.616449 (240.2324, 2049.5) 1 239.2251 239.2251@2.616449 + 353.9359@2.7887008 2.7887008 (354.94296, 3464.38)(355.94464, 958.79)(356.9414, 3735.69)(371.97162, 2505.415) 2 353.9359 353.9359@2.7887008 + 372.9602@2.794166 2.794166 (373.9673, 2370.76)(374.9698, 794.73) 2 372.9602 372.9602@2.794166 + 467.0008@2.7842085 2.7842085 (468.0081, 1001.895)(469.0083, 527.45) 2 467.0008 467.0008@2.7842085 + 90.0317@2.8911495 2.8911495 (91.039246, 1688.795) 2 90.0317 90.0317@2.8911495 + 123.0684@2.9675348 2.9675348 (124.0756, 18231.27)(125.0733, 2434.1) 1 123.0684 123.0684@2.9675348 + 163.0995@3.0085447 3.0085447 (164.1067, 11220.94)(165.109, 1801.0) 1 163.0995 163.0995@3.0085447 + 732.0227@3.527665 3.527665 (733.03, 1076.81) 1 732.0227 732.0227@3.527665 + 604.7691@3.7997417 3.7997417 (605.7765, 2097.17)(606.78015, 757.4425) 4 604.7691 604.7691@3.7997417 + 715.5201@4.0627723 4.0627723 (716.5291, 1576.72)(717.5249, 1162.15)(738.5073, 823.32) 1 715.5201 715.5201@4.0627723 + 187.0958@4.204797 4.204797 (188.1065, 1114.07)(170.0924, 15339.41)(171.104, 2100.09) 1 187.0958 187.0958@4.204797 + 382.2824@4.2117977 4.2117977 (383.2897, 1643.12) 1 382.2824 382.2824@4.2117977 + 315.3134@4.2658067 4.2658067 (316.3206, 16331.09)(317.3242, 3325.84)(318.3267, 895.57) 1 315.3134 315.3134@4.2658067 + 356.2682@4.2828093 4.2828093 (357.2755, 1557.33) 1 356.2682 356.2682@4.2828093 + 259.135@4.311814 4.311814 (260.1399, 675.63)(242.132, 3877.02)(243.1335, 1113.67)(244.1287, 1650.54) 1 259.135 259.135@4.311814 + 173.1414@4.3158145 4.3158145 (369.2719, 682.83)(174.1487, 5223.94)(175.1508, 1563.39) 1 173.1414 173.1414@4.3158145 + 173.1414@4.379824 4.379824 (174.1478, 756.51)(156.1382, 5978.98)(157.1365, 575.81) 1 173.1414 173.1414@4.379824 + 403.2692@4.5068417 4.5068417 (404.2765, 1010.91) 1 403.2692 403.2692@4.5068417 + 651.5307@4.612855 4.612855 (652.538, 2456.52)(653.5465, 882.69)(654.5502, 684.73) 1 651.5307 651.5307@4.612855 + 902.5707@4.6258564 4.6258564 (903.578, 2941.68) 1 902.5707 902.5707@4.6258564 + 247.096@4.6498594 4.6498594 (248.1033, 1651.15)(249.1101, 763.66) 1 247.096 247.096@4.6498594 + 1463.3342@4.662527 4.662527 (1464.3397, 1356.995) 2 1463.3342 1463.3342@4.662527 + 629.5454@4.6798625 4.6798625 (630.5527, 2268.77)(631.5593, 834.47) 1 629.5454 629.5454@4.6798625 + 135.1046@4.693864 4.693864 (136.1119, 8693.59)(137.1087, 1444.24)(153.1384, 3120.19) 1 135.1046 135.1046@4.693864 + 817.5707@4.739869 4.739869 (818.578, 1302.96) 1 817.5707 817.5707@4.739869 + 810.4991@4.755871 4.755871 (811.5064, 1164.74) 1 810.4991 810.4991@4.755871 + 145.1462@4.801875 4.801875 (146.1535, 8030.5)(147.1565, 1325.29) 1 145.1462 145.1462@4.801875 + 131.0942@4.928886 4.928886 (132.1015, 23912.9)(133.1043, 2589.31) 1 131.0942 131.0942@4.928886 + 222.0859@4.9704695 4.9704695 (223.093, 2645.95) 2 222.0859 222.0859@4.9704695 + 792.4827@5.0168915 5.0168915 (793.49, 1106.05) 1 792.4827 792.4827@5.0168915 + 697.4287@5.067895 5.067895 (698.436, 2891.15) 1 697.4287 697.4287@5.067895 + 792.9844@5.107209 5.107209 (793.9912, 1562.155) 2 792.9844 792.9844@5.107209 + 489.3531@5.2299013 5.2299013 (490.3604, 2090.3)(491.3739, 1186.56) 1 489.3531 489.3531@5.2299013 + 870.588@5.379339 5.379339 (871.5957, 2537.7349)(888.62134, 11567.38)(889.62573, 6681.595) 2 870.588 870.588@5.379339 + 817.5865@5.3849034 5.3849034 (818.5938, 60107.72)(819.597, 29034.05) 1 817.5865 817.5865@5.3849034 + 874.6217@5.4035406 5.4035406 (875.62787, 2369.675) 2 874.6217 874.6217@5.4035406 + 1645.1239@5.4029036 5.4029036 (1646.1312, 1109.55)(1647.1243, 1307.78)(1648.1267, 2482.2)(1649.1284, 2192.51) 1 1645.1239 1645.1239@5.4029036 + 850.6104@5.4181137 5.4181137 (851.6127, 3771.135)(852.62573, 3675.665)(853.6299, 1879.365) 2 850.6104 850.6104@5.4181137 + 1642.1499@5.445011 5.445011 (1643.1573, 1299.75)(1644.1637, 1083.605)(1645.1519, 740.82) 2 1642.1499 1642.1499@5.445011 + 1620.5961@5.421111 5.421111 (1621.6064, 1340.745)(1622.6112, 3020.1)(1623.6207, 3191.46)(1624.624, 1889.7)(1625.6311, 599.28) 2 1620.5961 1620.5961@5.421111 + 803.0435@5.4249034 5.4249034 (1624.1239, 4102.88)(1625.1316, 3598.63)(1626.1389, 2960.03)(804.0476, 3508.65) 1 803.0435 803.0435@5.4249034 + 906.5628@5.450903 5.450903 (907.5701, 1369.04) 1 906.5628 906.5628@5.450903 + 1587.6163@5.4929314 5.4929314 (1588.624, 1639.6458)(1589.6316, 1648.1156)(1590.6378, 1205.374)(1591.6398, 353.11) 7 1587.6163 1587.6163@5.4929314 + 832.0745@5.4883275 5.4883275 (833.08374, 1600.765)(834.09045, 790.735) 2 832.0745 832.0745@5.4883275 + 1589.6324@5.5078683 5.5078683 (1590.6396, 2167.0432)(1591.6442, 1817.2601)(1592.6432, 1203.9) 3 1589.6324 1589.6324@5.5078683 + 861.6237@5.5073857 5.5073857 (862.6307, 11031.044)(863.6346, 6063.166)(884.616, 1053.06)(885.6188, 754.02) 5 861.6237 861.6237@5.5073857 + 812.6091@5.4999027 5.4999027 (813.6163, 76718.08)(814.6144, 31868.76) 1 812.6091 812.6091@5.4999027 + 1199.8539@5.5039024 5.5039024 (1200.8611, 1429.18) 1 1199.8539 1199.8539@5.5039024 + 1577.6333@5.513902 5.513902 (1578.6406, 2310.76)(1579.6399, 1414.96) 1 1577.6333 1577.6333@5.513902 + 1185.3444@5.523041 5.523041 (1186.3511, 9001.055)(1187.3569, 4386.78)(1188.3595, 1792.765) 2 1185.3444 1185.3444@5.523041 + 744.551@5.532226 5.532226 (745.558, 26425.594)(746.56714, 14171.0)(747.5698, 5094.9697)(748.57117, 1013.83496) 2 744.551 744.551@5.532226 + 920.5363@5.5669007 5.5669007 (921.5436, 4031.04)(922.5477, 2601.0) 1 920.5363 920.5363@5.5669007 + 1690.1442@5.5849004 5.5849004 (1691.1515, 1011.04)(1692.1561, 1144.5)(1693.1552, 704.45) 1 1690.1442 1690.1442@5.5849004 + 1359.8582@5.5929 5.5929 (1360.8643, 1444.37)(1361.8706, 1454.07)(1362.8711, 1068.26)(1382.8496, 826.92) 1 1359.8582 1359.8582@5.5929 + 1231.8251@5.6014886 5.6014886 (1232.8307, 1989.085)(1233.8354, 2627.1067)(1234.8397, 1747.6)(1249.8624, 1575.25)(1250.8683, 1156.8234)(1251.8726, 829.825) 4 1231.8251 1231.8251@5.6014886 + 1147.3275@5.5729265 5.5729265 (1148.3398, 921.095)(1149.3444, 849.05505)(1165.3594, 1705.97)(1166.3597, 1847.8)(1167.3551, 1304.0) 2 1147.3275 1147.3275@5.5729265 + 1537.6016@5.608899 5.608899 (1538.6089, 1344.7)(1539.6147, 1671.67)(1540.6188, 916.83) 1 1537.6016 1537.6016@5.608899 + 1448.4841@5.6358986 5.6358986 (1449.4915, 631.23)(1450.5009, 926.05)(1451.5228, 578.46) 1 1448.4841 1448.4841@5.6358986 + 1198.8564@5.639898 5.639898 (1199.8636, 1869.48)(1200.8707, 2667.55)(1201.8774, 4016.08)(1202.8748, 1112.27)(1203.8531, 391.75) 1 1198.8564 1198.8564@5.639898 + 894.5619@5.6468973 5.6468973 (895.5692, 1109.17)(896.563, 291.05)(897.5527, 851.63) 1 894.5619 894.5619@5.6468973 + 882.5173@5.6498976 5.6498976 (883.5246, 1345.15)(884.5337, 439.41) 1 882.5173 882.5173@5.6498976 + 1287.8787@5.6502085 5.6502085 (1288.8855, 1225.515)(1289.8926, 1416.7351)(1290.8964, 996.95) 2 1287.8787 1287.8787@5.6502085 + 868.5349@5.6678963 5.6678963 (869.5421, 1534.99) 1 868.5349 868.5349@5.6678963 + 877.5651@5.677896 5.677896 (878.5723, 4637.23)(879.5704, 1489.85)(880.5553, 1568.02) 1 877.5651 877.5651@5.677896 + 798.0863@5.694895 5.694895 (799.0935, 1078.99) 1 798.0863 798.0863@5.694895 + 870.546@5.712894 5.712894 (871.5533, 1514.22)(872.5634, 540.84) 1 870.546 870.546@5.712894 + 775.5863@5.7438564 5.7438564 (776.5946, 1540.835)(777.5953, 713.82) 2 775.5863 775.5863@5.7438564 + 943.5498@5.735893 5.735893 (944.5571, 2280.6)(945.5624, 1580.13)(946.5698, 629.35) 1 943.5498 943.5498@5.735893 + 868.5328@5.7528915 5.7528915 (869.5401, 1091.32) 1 868.5328 868.5328@5.7528915 + 847.5314@5.862454 5.862454 (848.5473, 15185.436)(849.5543, 6510.64) 2 847.5314 847.5314@5.862454 + 849.0571@5.8257327 5.8257327 (850.059, 1078.4834)(851.0593, 1094.9651)(852.0594, 686.03) 3 849.0571 849.0571@5.8257327 + 172.1536@5.9428744 5.9428744 (173.1609, 961.95) 1 172.1536 172.1536@5.9428744 + 985.5944@5.9458747 5.9458747 (986.6017, 1589.4)(987.6043, 922.2) 1 985.5944 985.5944@5.9458747 + 872.5448@5.947874 5.947874 (873.5521, 1097.91)(874.559, 893.57) 1 872.5448 872.5448@5.947874 + 879.1078@5.9722996 5.9722996 (880.11414, 1539.03)(881.11475, 809.23) 2 879.1078 879.1078@5.9722996 + 592.0808@6.024865 6.024865 (593.0881, 1083.03) 1 592.0808 592.0808@6.024865 + 821.5926@6.0848575 6.0848575 (822.5999, 3241.5)(823.6046, 1537.65) 1 821.5926 821.5926@6.0848575 + 892.4789@6.1658454 6.1658454 (893.4836, 717.63)(875.4763, 2061.86)(876.4792, 1303.01) 1 892.4789 892.4789@6.1658454 + 646.4033@6.2488317 6.2488317 (647.4106, 1338.31) 1 646.4033 646.4033@6.2488317 + 837.6104@6.299822 6.299822 (838.6174, 1196.01)(860.5997, 1808.12)(861.6031, 922.89)(862.6136, 893.81) 1 837.6104 837.6104@6.299822 + 865.54@6.3087907 6.3087907 (866.54694, 1214.7151)(867.5453, 1131.825)(868.5394, 1201.01) 2 865.54 865.54@6.3087907 + 548.3301@6.3748074 6.3748074 (549.3374, 1610.93)(550.3478, 584.12) 1 548.3301 548.3301@6.3748074 + 774.602@6.636745 6.636745 (775.6093, 978.63) 1 774.602 774.602@6.636745 + 296.0716@6.6504097 6.6504097 (297.07922, 1603.325) 2 296.0716 296.0716@6.6504097 + 648.3117@6.69539 6.69539 (649.3197, 1531.7576)(650.3204, 764.66254) 8 648.3117 648.3117@6.69539 + 689.2398@6.6977277 6.6977277 (690.2471, 1637.51)(691.2513, 1084.77) 1 689.2398 689.2398@6.6977277 + 1291.8779@6.7027264 6.7027264 (1292.8853, 1001.69) 1 1291.8779 1291.8779@6.7027264 + 1120.7328@6.706725 6.706725 (1121.74, 1583.9)(1122.7439, 1253.47)(1123.7544, 827.36) 1 1120.7328 1120.7328@6.706725 + 868.4978@6.719626 6.719626 (869.5022, 1127.165)(870.5065, 1164.3)(886.5239, 1131.66) 2 868.4978 868.4978@6.719626 + 834.502@6.7167225 6.7167225 (835.5093, 1479.5) 1 834.502 834.502@6.7167225 + 831.4933@6.7197495 6.7197495 (832.49786, 1215.462)(833.4982, 1062.116)(834.4971, 1044.414)(814.4907, 12577.265)(815.4967, 4613.6772)(816.506, 7496.7153) 5 831.4933 831.4933@6.7197495 + 861.9972@6.721721 6.721721 (863.0045, 1419.02)(864.003, 1107.96)(865.009, 863.72) 1 861.9972 861.9972@6.721721 + 1601.0424@6.7567105 6.7567105 (1602.0496, 2097.44)(1603.0568, 2019.03)(1604.061, 1734.7) 1 1601.0424 1601.0424@6.7567105 + 1095.6658@6.7798605 6.7798605 (1096.668, 3031.4275)(1097.6757, 2976.96)(1098.6844, 2265.72)(1118.6631, 1051.2) 4 1095.6658 1095.6658@6.7798605 + 1064.6771@6.779011 6.779011 (1065.6843, 148273.73)(1066.6885, 105380.41) 2 1064.6771 1064.6771@6.779011 + 1072.1471@6.786701 6.786701 (1073.1543, 2026.5)(1074.1652, 2419.03)(1075.1692, 3081.31) 1 1072.1471 1072.1471@6.786701 + 1579.9741@6.7976975 6.7976975 (1580.9814, 8736.41)(1581.987, 8247.2)(1582.9932, 7227.56)(1583.9994, 4482.35) 1 1579.9741 1579.9741@6.7976975 + 501.9014@6.830687 6.830687 (502.9087, 2144.15) 1 501.9014 501.9014@6.830687 + 612.3128@6.8756723 6.8756723 (613.3201, 1362.53)(614.3159, 873.22) 1 612.3128 612.3128@6.8756723 + 309.1579@6.8936667 6.8936667 (310.1652, 1925.23) 1 309.1579 309.1579@6.8936667 + 176.1869@6.9606 6.9606 (177.19391, 1378.5665) 3 176.1869 176.1869@6.9606 + 599.3206@7.137422 7.137422 (600.32776, 2637.23)(601.3319, 954.745)(602.3428, 1067.255)(622.3097, 2245.455)(623.3147, 999.27496)(624.31995, 1293.755) 2 599.3206 599.3206@7.137422 + 531.3285@7.1448007 7.1448007 (532.3363, 2097.8374)(533.3388, 965.1633) 4 531.3285 531.3285@7.1448007 + 283.8626@7.7272816 7.7272816 (284.8704, 1309.23)(306.8499, 697.45) 1 283.8626 283.8626@7.7272816 + 207.0202@0.73089343 0.73089343 (208.0275, 4677.86) 1 207.0202 207.0202@0.73089343 + 357.2338@0.9738222 0.9738222 (358.2411, 5583.32)(359.2425, 1840.08) 1 357.2338 357.2338@0.9738222 + 682.333@0.9828191 0.9828191 (683.3403, 1928.13) 1 682.333 682.333@0.9828191 + 489.1515@0.9868177 0.9868177 (490.1588, 1286.68) 1 489.1515 489.1515@0.9868177 + 329.2027@0.9908163 0.9908163 (330.2099, 6722.62)(331.2133, 1725.14)(332.2082, 916.81) 1 329.2027 329.2027@0.9908163 + 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551.4@1.3033093 1.3033093 (552.40826, 1649.6432)(553.40936, 1139.785) 3 551.4 551.4@1.3033093 + 623.4461@1.2262741 1.2262741 (624.457, 1260.115)(625.4549, 1043.82)(626.4327, 1166.85)(606.4502, 1479.16)(607.4554, 560.11) 2 623.4461 623.4461@1.2262741 + 410.3191@1.2647032 1.2647032 (411.3264, 3434.92) 1 410.3191 410.3191@1.2647032 + 281.1617@1.2707003 1.2707003 (282.169, 6337.71) 1 281.1617 281.1617@1.2707003 + 492.3586@1.2716998 1.2716998 (493.3659, 4580.77) 1 492.3586 492.3586@1.2716998 + 500.3734@1.3186766 1.3186766 (501.3807, 1063.61) 1 500.3734 500.3734@1.3186766 + 288.2415@1.3446273 1.3446273 (289.24838, 3426.0466) 3 288.2415 288.2415@1.3446273 + 512.3431@1.3466623 1.3466623 (513.3469, 568.81)(495.3402, 2181.0)(496.3422, 1305.7) 1 512.3431 512.3431@1.3466623 + 483.3434@1.3668833 1.3668833 (484.35065, 2818.6099)(485.35315, 1252.005) 2 483.3434 483.3434@1.3668833 + 260.2103@1.4047605 1.4047605 (261.21774, 2192.384)(262.2164, 721.025) 5 260.2103 260.2103@1.4047605 + 236.1425@1.4376127 1.4376127 (237.1497, 61113.48)(238.149, 9722.33) 1 236.1425 236.1425@1.4376127 + 424.0984@1.4446088 1.4446088 (425.1057, 1202.17) 1 424.0984 424.0984@1.4446088 + 618.2659@1.4536036 1.4536036 (619.2732, 2283.4)(620.2802, 833.77) 1 618.2659 618.2659@1.4536036 + 446.1736@1.5335556 1.5335556 (447.1808, 2155.46) 1 446.1736 446.1736@1.5335556 + 441.2208@1.5385008 1.5385008 (442.2276, 1927.23)(443.2294, 873.19495) 4 441.2208 441.2208@1.5385008 + 780.5717@1.5678284 1.5678284 (781.5778, 1593.1174)(782.57764, 837.5234)(783.5854, 916.5433) 4 780.5717 780.5717@1.5678284 + 484.3795@1.5535431 1.5535431 (485.3868, 1172.83) 1 484.3795 484.3795@1.5535431 + 729.2292@1.5545424 1.5545424 (730.2365, 1372.12) 1 729.2292 729.2292@1.5545424 + 569.0188@1.5825244 1.5825244 (570.0261, 994.96) 1 569.0188 569.0188@1.5825244 + 436.2918@1.6474811 1.6474811 (437.2991, 2967.53)(438.3, 1067.76) 1 436.2918 436.2918@1.6474811 + 251.0265@1.6514783 1.6514783 (252.0338, 4495.85)(253.0357, 710.44) 1 251.0265 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381.1784@2.1590464 + 707.4821@2.2259762 2.2259762 (708.4894, 1924.84)(709.4923, 854.64) 1 707.4821 707.4821@2.2259762 + 357.9314@2.7602937 2.7602937 (358.9386, 1436.36) 1 357.9314 357.9314@2.7602937 + 633.2514@2.803973 2.803973 (634.2582, 1659.4199)(635.26587, 725.7266) 3 633.2514 633.2514@2.803973 + 169.0413@2.7962394 2.7962394 (170.0486, 1530.56) 1 169.0413 169.0413@2.7962394 + 342.9715@2.7972376 2.7972376 (343.9788, 963.12) 1 342.9715 342.9715@2.7972376 + 809.55@2.868127 2.868127 (810.5573, 4435.21)(811.5597, 2131.94) 1 809.55 809.55@2.868127 + 818.5916@3.6014078 3.6014078 (819.59766, 1371.345)(820.5985, 568.73)(821.6058, 518.18) 2 818.5916 818.5916@3.6014078 + 233.0898@3.6206617 3.6206617 (234.0971, 2197.8)(235.0995, 917.08)(236.1027, 1313.74) 1 233.0898 233.0898@3.6206617 + 247.1785@3.6456032 3.6456032 (248.1858, 1097.6) 1 247.1785 247.1785@3.6456032 + 897.6022@3.7533433 3.7533433 (898.6094, 3490.28)(899.6163, 2070.25) 1 897.6022 897.6022@3.7533433 + 662.8111@3.8431587 3.8431587 (663.8181, 2686.895)(664.8225, 959.45) 2 662.8111 662.8111@3.8431587 + 624.4498@3.8234031 3.8234031 (625.45776, 2499.99) 4 624.4498 624.4498@3.8234031 + 184.0578@3.8670554 3.8670554 (185.065, 6258.24) 1 184.0578 184.0578@3.8670554 + 469.3435@3.9149296 3.9149296 (470.3508, 4725.53)(471.3447, 617.92) 1 469.3435 469.3435@3.9149296 + 1084.6501@3.9358737 3.9358737 (1085.6573, 1045.31) 1 1084.6501 1084.6501@3.9358737 + 479.3276@3.971777 3.971777 (480.3349, 7509.33)(481.3373, 2289.0) 1 479.3276 479.3276@3.971777 + 479.8298@3.9767632 3.9767632 (480.8371, 6232.58) 1 479.8298 479.8298@3.9767632 + 538.5071@4.1123834 4.1123834 (539.5144, 1165.02)(540.5227, 590.62) 1 538.5071 538.5071@4.1123834 + 501.3432@4.162238 4.162238 (502.3505, 10477.45)(503.3541, 2357.94) 1 501.3432 501.3432@4.162238 + 501.8425@4.1652293 4.1652293 (502.8497, 6559.7)(503.8525, 890.38) 1 501.8425 501.8425@4.1652293 + 607.4777@4.23203 4.23203 (608.485, 1084.6)(609.4897, 806.67) 1 607.4777 607.4777@4.23203 + 353.3291@4.283871 4.283871 (354.3364, 2661.32) 1 353.3291 353.3291@4.283871 + 964.5799@4.305803 4.305803 (965.5872, 1168.16) 1 964.5799 964.5799@4.305803 + 467.1831@4.315772 4.315772 (468.1904, 2021.45) 1 467.1831 467.1831@4.315772 + 299.3178@4.323747 4.323747 (300.3251, 2831.64) 1 299.3178 299.3178@4.323747 + 523.8553@4.3357096 4.3357096 (524.8626, 7739.58)(525.8666, 1228.15) 1 523.8553 523.8553@4.3357096 + 1029.6804@4.336706 4.336706 (1030.6877, 1654.72)(1031.6904, 946.08) 1 1029.6804 1029.6804@4.336706 + 523.3566@4.343684 4.343684 (524.3638, 10007.48)(525.3817, 2359.41) 1 523.3566 523.3566@4.343684 + 1124.8171@4.43554 4.43554 (1125.8258, 1783.0801)(1126.8287, 875.25) 2 1124.8171 1124.8171@4.43554 + 736.5216@4.445356 4.445356 (737.5289, 1153.93) 1 736.5216 736.5216@4.445356 + 333.14@4.445356 4.445356 (334.1473, 2919.57)(335.1474, 667.32) 1 333.14 333.14@4.445356 + 545.3696@4.4981804 4.4981804 (546.3769, 8322.4)(547.3801, 1987.78) 1 545.3696 545.3696@4.4981804 + 545.8687@4.499177 4.499177 (546.876, 6218.17)(547.8787, 970.47) 1 545.8687 545.8687@4.499177 + 313.334@4.5450215 4.5450215 (314.3412, 1652.25) 1 313.334 313.334@4.5450215 + 567.8817@4.647663 4.647663 (568.889, 6907.16)(569.8929, 1076.93) 1 567.8817 567.8817@4.647663 + 780.584@4.846928 4.846928 (781.5913, 1438.79) 1 780.584 780.584@4.846928 + 1256.895@4.880798 4.880798 (1257.9023, 960.98) 1 1256.895 1256.895@4.880798 + 578.8558@4.9066973 4.9066973 (579.863, 3884.95)(580.8668, 791.3) 1 578.8558 578.8558@4.9066973 + 163.9129@5.102904 5.102904 (164.9202, 1527.62) 1 163.9129 163.9129@5.102904 + 361.9182@5.274144 5.274144 (362.9255, 1659.385) 2 361.9182 361.9182@5.274144 + 1272.3141@5.4095526 5.4095526 (1273.3213, 930.71)(1274.3243, 1342.56)(1275.3275, 1077.66) 1 1272.3141 1272.3141@5.4095526 + 1286.816@5.4264736 5.4264736 (1287.8234, 1022.52)(1288.8325, 821.42)(1289.8243, 951.11) 1 1286.816 1286.816@5.4264736 + 1627.6155@5.4374228 5.4374228 (1628.6254, 749.83)(1629.627, 785.35)(1610.6111, 1873.48)(1611.618, 2024.4)(1612.6206, 1583.11) 1 1627.6155 1627.6155@5.4374228 + 1638.1368@5.4431405 5.4431405 (1639.1403, 3091.3933)(1640.148, 2272.775)(1641.1512, 1755.175)(1642.1663, 1603.88) 3 1638.1368 1638.1368@5.4431405 + 1275.3247@5.4483714 5.4483714 (1276.332, 1041.95) 1 1275.3247 1275.3247@5.4483714 + 1594.122@5.4483714 5.4483714 (1595.1293, 1130.79)(1596.1234, 1740.31)(1597.1187, 1893.05) 1 1594.122 1594.122@5.4483714 + 1219.3289@5.4513574 5.4513574 (1220.3362, 5870.19)(1221.343, 7092.95)(1222.3492, 6554.23) 1 1219.3289 1219.3289@5.4513574 + 888.6354@5.4543433 5.4543433 (889.6462, 829.64)(906.6671, 1107.82)(907.668, 747.52) 1 888.6354 888.6354@5.4543433 + 961.5533@5.4613104 5.4613104 (962.5605, 1333.17)(963.5621, 888.3) 1 961.5533 961.5533@5.4613104 + 425.8009@5.485197 5.485197 (852.6085, 4803.35)(426.8092, 1767.38) 1 425.8009 425.8009@5.485197 + 966.513@5.512069 5.512069 (967.5203, 1254.1) 1 966.513 966.513@5.512069 + 1244.8312@5.5514026 5.5514026 (1245.8368, 2121.9568)(1246.8425, 2794.6902)(1247.8483, 3013.0198)(1248.8558, 2070.4268)(1249.8541, 1124.8667)(1262.8596, 1226.35)(1263.8743, 1179.9299) 6 1244.8312 1244.8312@5.5514026 + 1544.1553@5.564313 5.564313 (1545.162, 8846.714)(1546.1656, 5265.84)(1547.1675, 2125.25)(1548.1682, 277.88) 5 1544.1553 1544.1553@5.564313 + 1261.8593@5.5678 5.5678 (1262.8662, 1549.48)(1284.8488, 1788.6) 1 1261.8593 1261.8593@5.5678 + 1663.1201@5.570785 5.570785 (1664.1274, 1807.55)(1665.1335, 1375.18)(1666.1418, 880.85) 1 1663.1201 1663.1201@5.570785 + 981.0807@5.5862694 5.5862694 (982.08777, 1144.0)(983.0906, 939.95) 4 981.0807 981.0807@5.5862694 + 1357.8403@5.5787463 5.5787463 (1358.8477, 1290.77)(1359.8569, 926.94)(1360.8671, 888.43) 1 1357.8403 1357.8403@5.5787463 + 918.6997@5.5857124 5.5857124 (919.707, 846.76)(920.6931, 658.52) 1 918.6997 918.6997@5.5857124 + 1258.8389@5.604619 5.604619 (1259.8461, 1800.26)(1260.8574, 1904.34)(1261.8629, 2008.68)(1262.8693, 1069.73)(1263.8766, 810.18) 1 1258.8389 1258.8389@5.604619 + 1207.3378@5.624343 5.624343 (1208.346, 1517.425)(1209.3477, 1050.265)(1210.3484, 892.38) 2 1207.3378 1207.3378@5.624343 + 853.6444@5.5989857 5.5989857 (854.66016, 1222.56)(855.6721, 735.655) 2 853.6444 853.6444@5.5989857 + 1192.8274@5.6231437 5.6231437 (1193.8373, 854.67004)(1194.8503, 1090.96)(1195.8496, 927.85) 2 1192.8274 1192.8274@5.6231437 + 1221.3492@5.6444216 5.6444216 (1222.3564, 1239.93) 1 1221.3492 1221.3492@5.6444216 + 1261.8617@5.6503916 5.6503916 (1262.8689, 1438.95)(1263.8715, 984.44) 1 1261.8617 1261.8617@5.6503916 + 828.5418@5.667307 5.667307 (829.549, 2064.58)(830.5577, 983.15) 1 828.5418 828.5418@5.667307 + 895.5513@5.6683016 5.6683016 (896.5586, 1886.03)(897.5583, 1358.37)(898.5782, 1386.52) 1 895.5513 895.5513@5.6683016 + 826.5536@5.6598487 5.6598487 (827.563, 2591.41)(828.5585, 1193.25)(829.5539, 1179.69) 2 826.5536 826.5536@5.6598487 + 782.6802@5.70611 5.70611 (783.6875, 1302.43)(784.7045, 928.47) 1 782.6802 782.6802@5.70611 + 899.5166@5.7130747 5.7130747 (900.5239, 1422.28)(901.5289, 1075.87) 1 899.5166 899.5166@5.7130747 + 811.7237@5.744911 5.744911 (812.731, 1297.63)(813.7352, 590.01) 1 811.7237 811.7237@5.744911 + 746.5903@5.7777414 5.7777414 (747.5976, 1342.58)(748.5856, 871.15) 1 746.5903 746.5903@5.7777414 + 894.5906@5.8404117 5.8404117 (895.5979, 878.83) 1 894.5906 894.5906@5.8404117 + 427.7855@5.842401 5.842401 (428.7928, 907.72) 1 427.7855 427.7855@5.842401 + 942.5948@5.8483696 5.8483696 (943.6021, 1781.52) 1 942.5948 942.5948@5.8483696 + 121.9582@5.9112177 5.9112177 (122.9656, 1700.73) 2 121.9582 121.9582@5.9112177 + 883.5879@5.9707055 5.9707055 (884.5952, 620.44)(885.5907, 539.27)(886.6037, 798.01) 1 883.5879 883.5879@5.9707055 + 508.3163@5.9915905 5.9915905 (509.3236, 1561.44) 1 508.3163 508.3163@5.9915905 + 564.9744@6.174546 6.174546 (565.9816, 1181.73) 1 564.9744 564.9744@6.174546 + 657.3629@6.189458 6.189458 (658.3702, 2176.01)(659.3887, 915.01) 1 657.3629 657.3629@6.189458 + 154.0723@6.212322 6.212322 (155.0802, 4904.56)(137.0686, 10193.13) 1 154.0723 154.0723@6.212322 + 649.3956@6.5561805 6.5561805 (650.4028, 2985.14)(651.4083, 1173.85) 1 649.3956 649.3956@6.5561805 + 1164.633@6.713133 6.713133 (1165.6403, 715.0)(1166.6636, 659.03)(1167.632, 922.45) 1 1164.633 1164.633@6.713133 + 842.4738@6.714126 6.714126 (843.481, 878.11)(844.482, 784.99)(845.4981, 905.23) 1 842.4738 842.4738@6.714126 + 1143.151@6.719886 6.719886 (1144.163, 963.33496)(1145.1649, 895.03)(1146.165, 848.415) 2 1143.151 1143.151@6.719886 + 901.5198@6.7250514 6.7250514 (902.5271, 891.2)(903.5109, 832.34) 1 901.5198 901.5198@6.7250514 + 1095.6501@6.7250514 6.7250514 (1096.6653, 1677.25)(1113.6836, 22076.01)(1114.6882, 12224.95)(1115.695, 8078.26)(1116.6995, 3544.56) 1 1095.6501 1095.6501@6.7250514 + 1099.1671@6.7468057 6.7468057 (1100.1774, 3335.2136)(1101.1826, 2666.5566)(1102.189, 3679.325) 3 1099.1671 1099.1671@6.7468057 + 1089.6812@6.7383614 6.7383614 (1090.6885, 71806.516)(1091.6969, 48039.168)(1092.7015, 22191.025)(1093.7098, 11096.79)(1094.713, 5203.89) 6 1089.6812 1089.6812@6.7383614 + 877.5411@6.750874 6.750874 (878.5484, 2008.31) 1 877.5411 877.5411@6.750874 + 1051.6658@6.7852283 6.7852283 (1052.673, 10849.466)(1053.6831, 13656.52) 3 1051.6658 1051.6658@6.7852283 + 503.3833@6.8620963 6.8620963 (504.3906, 1371.14) 1 503.3833 503.3833@6.8620963 + 503.335@6.9601707 6.9601707 (504.3419, 2409.97)(505.345, 725.94) 2 503.335 503.335@6.9601707 + 518.3197@7.071568 7.071568 (519.327, 1140.73) 1 518.3197 518.3197@7.071568 + 345.1869@7.3732176 7.3732176 (346.1942, 2701.79) 1 345.1869 345.1869@7.3732176 + 147.1452@9.095083 9.095083 (148.1525, 1895.86) 1 147.1452 147.1452@9.095083 + 133.11@0.8693224 0.8693224 (134.1174, 3068.9502) 2 133.11 133.11@0.8693224 + 1026.1846@1.009156 1.009156 (1027.1924, 1363.29)(1028.192, 1318.09)(1029.1893, 1140.35) 2 1026.1846 1026.1846@1.009156 + 1178.1995@1.0086397 1.0086397 (1179.2068, 2324.29)(1180.2051, 1365.19)(1181.2013, 993.4) 1 1178.1995 1178.1995@1.0086397 + 689.1908@1.0176914 1.0176914 (690.1978, 14030.766)(691.1974, 4059.115)(692.1973, 1719.37) 2 689.1908 689.1908@1.0176914 + 617.1716@1.0226313 1.0226313 (618.1783, 1797.12)(600.1698, 1113.21) 1 617.1716 617.1716@1.0226313 + 596.1601@1.0626396 1.0626396 (597.1682, 2520.0234)(598.17163, 2194.72)(599.16785, 1109.51) 3 596.1601 596.1601@1.0626396 + 672.1909@1.0236307 1.0236307 (673.1982, 1670.1)(674.1998, 1124.49) 1 672.1909 672.1909@1.0236307 + 374.0899@1.0386806 1.0386806 (375.0979, 2770.665)(376.0956, 774.3) 2 374.0899 374.0899@1.0386806 + 466.1202@1.0446175 1.0446175 (467.127, 2557.91)(484.1558, 882.21) 1 466.1202 466.1202@1.0446175 + 189.0648@1.0476156 1.0476156 (190.0721, 4684.65)(191.0718, 752.71) 1 189.0648 189.0648@1.0476156 + 706.1695@1.0566101 1.0566101 (707.1768, 2287.42)(708.1716, 1383.76)(709.1711, 863.02) 1 706.1695 706.1695@1.0566101 + 448.3865@1.0626062 1.0626062 (449.3937, 1806.58) 1 448.3865 448.3865@1.0626062 + 631.148@1.0656043 1.0656043 (632.1553, 3839.31)(633.1544, 2011.3)(634.1547, 1479.54) 1 631.148 631.148@1.0656043 + 414.0312@1.0666037 1.0666037 (415.0385, 943.59) 1 414.0312 414.0312@1.0666037 + 652.5223@1.0666037 1.0666037 (653.5277, 1389.26)(670.5571, 1852.11)(671.5621, 1395.56) 1 652.5223 652.5223@1.0666037 + 1128.3081@1.0696018 1.0696018 (1129.3154, 17210.17)(1130.3143, 17384.89)(1131.3136, 11863.6) 1 1128.3081 1128.3081@1.0696018 + 348.3386@1.0716006 1.0716006 (349.346, 1041.89)(366.3724, 2748.72) 1 348.3386 348.3386@1.0716006 + 430.0643@1.070663 1.070663 (431.07172, 2419.55)(432.07263, 1278.6499)(433.0647, 1160.4) 2 430.0643 430.0643@1.070663 + 557.1282@1.0735992 1.0735992 (558.1355, 2884.06)(559.1359, 1885.19)(560.1341, 1292.57) 1 557.1282 557.1282@1.0735992 + 667.4314@1.0875902 1.0875902 (668.4387, 1387.33) 1 667.4314 667.4314@1.0875902 + 523.4303@1.0885894 1.0885894 (524.4376, 2499.74) 1 523.4303 523.4303@1.0885894 + 339.2402@1.1060692 1.1060692 (340.2477, 4385.467)(341.2623, 3525.86) 3 339.2402 339.2402@1.1060692 + 556.448@1.098586 1.098586 (557.45197, 3659.5632)(558.46594, 2358.4) 3 556.448 556.448@1.098586 + 844.61@1.1025803 1.1025803 (845.6173, 1508.33) 1 844.61 844.61@1.1025803 + 204.1148@1.1155717 1.1155717 (205.1221, 2723.88) 1 204.1148 204.1148@1.1155717 + 726.6034@1.119569 1.119569 (727.6107, 1639.96) 1 726.6034 726.6034@1.119569 + 583.4536@1.1205684 1.1205684 (584.4609, 2536.62)(585.4798, 1490.76) 1 583.4536 583.4536@1.1205684 + 732.536@1.1240983 1.1240983 (733.55054, 1532.155)(734.5513, 1208.0349)(735.5454, 1274.09)(715.5297, 1839.13) 2 732.536 732.536@1.1240983 + 628.422@1.1265643 1.1265643 (629.4275, 1432.56)(646.4556, 3023.1)(647.4465, 1838.63)(648.4624, 1632.79)(651.4152, 1045.36) 1 628.422 628.422@1.1265643 + 640.4705@1.1275636 1.1275636 (641.4777, 1208.02) 1 640.4705 640.4705@1.1275636 + 248.1764@1.1285629 1.1285629 (249.1838, 4365.03)(250.1774, 1657.89)(266.2099, 1786.72) 1 248.1764 248.1764@1.1285629 + 512.3569@1.1285629 1.1285629 (513.3642, 3032.28) 1 512.3569 512.3569@1.1285629 + 504.344@1.1425534 1.1425534 (505.3513, 4010.9) 1 504.344 504.344@1.1425534 + 514.2873@1.1465507 1.1465507 (515.2946, 1383.92)(516.2971, 1125.58) 1 514.2873 514.2873@1.1465507 + 419.1782@1.14755 1.14755 (420.1854, 1963.83) 1 419.1782 419.1782@1.14755 + 588.3623@1.1595417 1.1595417 (589.3695, 1006.72) 1 588.3623 588.3623@1.1595417 + 291.1867@1.1625396 1.1625396 (292.194, 1469.73) 1 291.1867 291.1867@1.1625396 + 362.1738@1.2055092 1.2055092 (363.181, 3447.03)(364.1973, 1880.9) 1 362.1738 362.1738@1.2055092 + 333.2043@1.2065085 1.2065085 (334.2131, 2656.78)(351.2376, 19713.26) 1 333.2043 333.2043@1.2065085 + 391.164@1.2320228 1.2320228 (392.17136, 1631.194)(393.1652, 924.58) 5 391.164 391.164@1.2320228 + 458.2413@1.2484777 1.2484777 (459.2486, 1333.06) 1 458.2413 458.2413@1.2484777 + 502.327@1.1932864 1.1932864 (503.33148, 1831.48)(485.3185, 1270.3) 2 502.327 502.327@1.1932864 + 367.3054@1.2592163 1.2592163 (735.6242, 1550.1)(757.6047, 1307.42)(368.31183, 13004.715)(369.3149, 2915.1) 2 367.3054 367.3054@1.2592163 + 418.9915@1.2894903 1.2894903 (419.9989, 1501.075) 2 418.9915 418.9915@1.2894903 + 302.21@1.3194234 1.3194234 (303.2169, 4166.43)(325.2009, 2027.69) 1 302.21 302.21@1.3194234 + 442.3325@1.3523971 1.3523971 (443.3398, 2139.41) 1 442.3325 442.3325@1.3523971 + 368.2175@1.3753784 1.3753784 (369.2248, 3518.53) 1 368.2175 368.2175@1.3753784 + 417.2354@1.3983593 1.3983593 (418.2426, 1701.45)(419.2364, 950.06) 1 417.2354 417.2354@1.3983593 + 568.3054@1.4073517 1.4073517 (569.3127, 1972.39)(570.3205, 679.54) 1 568.3054 568.3054@1.4073517 + 563.3496@1.5072647 1.5072647 (564.3569, 4185.87)(565.3582, 1781.59)(566.362, 956.09) 1 563.3496 563.3496@1.5072647 + 337.0141@1.5801972 1.5801972 (338.0214, 1007.04) 1 337.0141 337.0141@1.5801972 + 650.3784@1.5827792 1.5827792 (651.3873, 1673.97)(652.3908, 928.51)(673.3679, 3498.555)(674.37085, 1561.25)(675.381, 550.6) 2 650.3784 650.3784@1.5827792 + 754.5522@1.6800996 1.6800996 (755.5595, 2977.08) 1 754.5522 754.5522@1.6800996 + 352.2718@1.6820976 1.6820976 (353.2791, 1360.87)(354.2816, 381.36) 1 352.2718 352.2718@1.6820976 + 563.3491@1.6776481 1.6776481 (564.3561, 2799.62)(565.3574, 1090.065)(566.3579, 902.245) 2 563.3491 563.3491@1.6776481 + 408.2879@1.6960834 1.6960834 (817.5836, 1301.83)(818.5924, 898.9)(409.2945, 666.06) 1 408.2879 408.2879@1.6960834 + 562.1667@1.7250535 1.7250535 (563.174, 2041.48)(564.1767, 903.98) 1 562.1667 562.1667@1.7250535 + 367.1467@1.7300483 1.7300483 (368.154, 1772.99) 1 367.1467 367.1467@1.7300483 + 654.311@1.7969565 1.7969565 (655.31824, 1299.215)(656.3187, 1064.99) 2 654.311 654.311@1.7969565 + 456.1241@1.865901 1.865901 (457.1313, 5855.06)(458.1344, 1725.63) 1 456.1241 456.1241@1.865901 + 451.1687@1.8708953 1.8708953 (452.176, 4293.62) 1 451.1687 451.1687@1.8708953 + 339.0394@2.5349956 2.5349956 (340.0467, 1400.95) 1 339.0394 339.0394@2.5349956 + 334.879@2.6128702 2.6128702 (335.8862, 988.47) 1 334.879 334.879@2.6128702 + 347.1786@2.6627872 2.6627872 (348.1859, 1320.18)(349.1828, 651.33)(350.1775, 582.43) 1 347.1786 347.1786@2.6627872 + 244.9751@2.6657822 2.6657822 (245.9824, 3273.42)(246.9846, 943.6) 1 244.9751 244.9751@2.6657822 + 323.1393@2.6787605 2.6787605 (324.1466, 4446.1) 1 323.1393 323.1393@2.6787605 + 404.037@2.683752 2.683752 (405.0443, 1615.51) 1 404.037 404.037@2.683752 + 299.0662@2.6957316 2.6957316 (300.0735, 8488.15) 1 299.0662 299.0662@2.6957316 + 654.3093@2.7017214 2.7017214 (655.3169, 5598.1)(656.3199, 2604.37)(657.3229, 897.68)(672.3418, 1113.95)(677.2969, 1126.68) 1 654.3093 654.3093@2.7017214 + 682.1179@2.7067132 2.7067132 (683.1251, 4474.19)(684.1291, 1623.85) 1 682.1179 682.1179@2.7067132 + 674.1337@2.7437916 2.7437916 (675.1397, 1481.21) 2 674.1337 674.1337@2.7437916 + 684.4384@2.742651 2.742651 (685.4457, 1750.7)(686.4471, 900.45) 1 684.4384 684.4384@2.742651 + 206.0592@2.7486405 2.7486405 (430.1541, 1108.28)(207.0663, 3819.38)(208.0666, 707.72) 1 206.0592 206.0592@2.7486405 + 224.0697@2.7486405 2.7486405 (225.077, 7343.44)(226.0822, 1220.6) 1 224.0697 224.0697@2.7486405 + 613.5605@2.7626164 2.7626164 (614.5678, 951.22) 1 613.5605 613.5605@2.7626164 + 405.1605@2.7696042 2.7696042 (406.1678, 1276.18) 1 405.1605 405.1605@2.7696042 + 674.1326@2.8105316 2.8105316 (675.1398, 1470.61)(676.1452, 535.18) 1 674.1326 674.1326@2.8105316 + 536.2606@2.976398 2.976398 (537.2678, 3911.94)(538.2676, 1359.72) 2 536.2606 536.2606@2.976398 + 228.9803@2.9572618 2.9572618 (229.9876, 4424.75)(230.9899, 877.43) 1 228.9803 228.9803@2.9572618 + 584.0999@3.0168266 3.0168266 (585.10815, 1447.76) 2 584.0999 584.0999@3.0168266 + 513.2761@3.2017758 3.2017758 (514.2834, 1129.02)(515.2867, 801.54)(536.2653, 2257.32) 1 513.2761 513.2761@3.2017758 + 513.2763@3.252669 3.252669 (514.2829, 1388.7)(496.2731, 2883.46)(497.2764, 1077.68) 1 513.2763 513.2763@3.252669 + 903.6854@3.2935815 3.2935815 (904.6926, 3757.18)(905.697, 1643.51) 1 903.6854 903.6854@3.2935815 + 635.2444@3.6278174 3.6278174 (636.2517, 1354.99)(637.2552, 1118.26) 1 635.2444 635.2444@3.6278174 + 461.2597@3.912096 3.912096 (462.267, 11653.12)(463.27, 3381.99)(464.2739, 1084.53) 1 461.2597 461.2597@3.912096 + 932.7662@3.9130933 3.9130933 (933.7735, 1517.84)(934.7815, 1043.52) 1 932.7662 932.7662@3.9130933 + 1310.2085@3.9140904 3.9140904 (1311.2158, 1312.39)(1312.2219, 1596.3) 1 1310.2085 1310.2085@3.9140904 + 1077.54@3.9170825 3.9170825 (1078.5472, 1397.36) 1 1077.54 1077.54@3.9170825 + 497.2811@4.010829 4.010829 (498.2881, 8652.79)(480.2778, 64825.2)(481.2812, 17851.25)(482.2808, 4921.24)(483.2833, 1400.86) 1 497.2811 497.2811@4.010829 + 932.7676@4.01781 4.01781 (933.7749, 1410.72)(934.7816, 1017.19) 1 932.7676 932.7676@4.01781 + 1070.5149@4.0266395 4.0266395 (1071.5225, 4503.715)(1072.5271, 3298.665)(1073.5364, 4353.425)(1074.5396, 2363.51) 2 1070.5149 1070.5149@4.0266395 + 1092.497@4.029133 4.029133 (1093.5039, 3544.6802)(1094.5063, 2404.375)(1095.5176, 2489.9102)(1096.5195, 1451.85) 2 1092.497 1092.497@4.029133 + 615.199@4.034555 4.034555 (616.2059, 2187.88)(617.2088, 800.67004)(618.2027, 1313.17) 3 615.199 615.199@4.034555 + 744.1727@4.036758 4.036758 (745.18, 1144.35) 1 744.1727 744.1727@4.036758 + 410.2871@4.301995 4.301995 (411.2944, 894.74) 1 410.2871 410.2871@4.301995 + 1075.0476@4.327917 4.327917 (1076.0548, 2227.45)(1077.0571, 1118.68)(1098.0369, 1148.52) 1 1075.0476 1075.0476@4.327917 + 1064.0581@4.3319044 4.3319044 (1065.0647, 2597.85)(1066.0629, 1147.2)(1087.0483, 1232.02)(1088.0466, 720.27) 1 1064.0581 1064.0581@4.3319044 + 1077.547@4.332902 4.332902 (1078.5543, 1546.22) 1 1077.547 1077.547@4.332902 + 559.3978@4.3697295 4.3697295 (560.40533, 1602.7151)(561.41064, 743.47) 2 559.3978 559.3978@4.3697295 + 389.1668@4.540256 4.540256 (390.1741, 1185.33) 1 389.1668 389.1668@4.540256 + 627.2428@4.598069 4.598069 (628.2501, 1529.05)(629.2448, 656.33) 1 627.2428 627.2428@4.598069 + 1343.1833@4.6050463 4.6050463 (1344.1907, 1625.27)(1345.193, 1732.44)(1346.1925, 1241.36) 1 1343.1833 1343.1833@4.6050463 + 1310.209@4.60704 4.60704 (1311.2169, 2425.64)(1312.2192, 3680.9)(1313.2208, 998.36)(1333.1973, 1355.5) 1 1310.209 1310.209@4.60704 + 1343.6831@4.60704 4.60704 (1344.6904, 1674.28)(1345.6938, 1350.34) 1 1343.6831 1343.6831@4.60704 + 1086.5431@4.60704 4.60704 (1087.5474, 2032.01)(1069.5461, 1041.91)(1070.5474, 776.18) 1 1086.5431 1086.5431@4.60704 + 1099.5342@4.61003 4.61003 (1100.5414, 1456.64)(1101.5428, 848.33) 1 1099.5342 1099.5342@4.61003 + 479.2701@4.61003 4.61003 (480.2774, 72461.4)(481.2805, 21111.84)(482.2802, 6299.75)(483.2893, 1430.16)(462.2668, 59067.64)(463.27, 17572.94)(464.2684, 5483.81)(465.2695, 1148.33) 1 479.2701 479.2701@4.61003 + 575.2286@4.629965 4.629965 (576.2358, 1189.38) 1 575.2286 575.2286@4.629965 + 598.4955@4.6797996 4.6797996 (599.5028, 12108.69)(600.5065, 5053.32) 1 598.4955 598.4955@4.6797996 + 620.9421@4.759531 4.759531 (621.9494, 774.71)(622.9496, 839.11) 1 620.9421 620.9421@4.759531 + 737.4964@4.88384 4.88384 (738.5042, 3094.3533)(739.50903, 1526.2032)(740.5192, 934.79) 3 737.4964 737.4964@4.88384 + 286.226@5.087179 5.087179 (287.2328, 1066.845) 2 286.226 286.226@5.087179 + 162.1156@5.222851 5.222851 (163.1229, 5412.79)(164.1234, 1255.77) 1 162.1156 162.1156@5.222851 + 241.9181@5.3102913 5.3102913 (242.92535, 1424.0901) 2 241.9181 241.9181@5.3102913 + 964.5314@5.3951735 5.3951735 (965.5387, 1524.37) 1 964.5314 964.5314@5.3951735 + 1644.1154@5.4356437 5.4356437 (1645.1221, 1182.04)(1646.1279, 1748.6649)(1647.1294, 1547.575)(1648.1301, 891.46) 2 1644.1154 1644.1154@5.4356437 + 717.4706@5.445968 5.445968 (718.4779, 659.47)(719.4808, 733.22) 1 717.4706 717.4706@5.445968 + 1652.1138@5.445968 5.445968 (1653.121, 673.2)(1654.1149, 828.02) 1 1652.1138 1652.1138@5.445968 + 819.5257@5.4927764 5.4927764 (820.5329, 27829.4)(821.5371, 13372.16) 1 819.5257 819.5257@5.4927764 + 1230.8387@5.4967604 5.4967604 (1231.846, 1618.45) 1 1230.8387 1230.8387@5.4967604 + 1177.8326@5.528042 5.528042 (1178.8433, 1093.865)(1179.8389, 1096.405)(1180.8376, 954.225) 2 1177.8326 1177.8326@5.528042 + 839.5626@5.539583 5.539583 (840.5699, 5645.04)(841.5721, 2106.43) 1 839.5626 839.5626@5.539583 + 795.522@5.624593 5.624593 (796.53503, 29894.586)(797.5388, 11651.505) 2 795.522 795.522@5.624593 + 1305.8267@5.55035 5.55035 (1306.8308, 1545.3049)(1307.8383, 1528.95) 2 1305.8267 1305.8267@5.55035 + 1245.8347@5.5565124 5.5565124 (1246.842, 3240.81)(1247.8481, 3256.61) 1 1245.8347 1245.8347@5.5565124 + 1308.343@5.575796 5.575796 (1309.3494, 1185.81)(1310.3545, 934.43005)(1311.3607, 908.97) 2 1308.343 1308.343@5.575796 + 1055.0791@5.575591 5.575591 (1056.0859, 906.22)(1057.097, 547.89) 2 1055.0791 1055.0791@5.575591 + 732.4581@5.588379 5.588379 (733.4663, 1077.67)(734.4519, 830.82)(750.4907, 1098.22) 1 732.4581 732.4581@5.588379 + 945.5574@5.6003284 5.6003284 (946.5647, 912.48)(947.5696, 850.89) 1 945.5574 945.5574@5.6003284 + 445.3162@5.670032 5.670032 (446.3235, 2446.84) 1 445.3162 445.3162@5.670032 + 718.5696@5.6710277 5.6710277 (719.5769, 1053.91) 1 718.5696 718.5696@5.6710277 + 804.6152@5.6779976 5.6779976 (805.6225, 949.88) 1 804.6152 804.6152@5.6779976 + 839.5555@5.6946287 5.6946287 (840.5536, 2556.835)(841.5658, 1608.71) 2 839.5555 839.5555@5.6946287 + 858.577@5.7367435 5.7367435 (859.5843, 974.8)(860.606, 873.48) 1 858.577 858.577@5.7367435 + 1200.3716@5.8164964 5.8164964 (1201.3779, 1874.235)(1202.3802, 1783.65)(1203.3901, 723.15) 2 1200.3716 1200.3716@5.8164964 + 839.5634@5.831156 5.831156 (840.56946, 1638.975)(841.57135, 1306.5449)(842.5772, 4508.4)(843.58, 4288.39)(844.5787, 1780.06)(862.55493, 3100.33)(863.5607, 2303.8)(864.5654, 3304.8)(865.5627, 660.66)(866.5604, 953.29) 2 839.5634 839.5634@5.831156 + 937.5356@5.8402863 5.8402863 (938.5396, 734.71)(960.527, 1175.36)(961.5204, 960.51)(962.5421, 955.89) 1 937.5356 937.5356@5.8402863 + 798.5362@5.941065 5.941065 (799.54395, 15156.173)(800.5447, 6084.3867)(801.54736, 1991.82)(802.5492, 958.23)(816.5656, 977.54) 3 798.5362 798.5362@5.941065 + 225.0169@5.961736 5.961736 (226.0241, 3840.12) 1 225.0169 225.0169@5.961736 + 789.5539@5.9679556 5.9679556 (790.5595, 2494.38)(791.56165, 1525.575)(792.5718, 1160.09)(812.54614, 2228.01)(813.5502, 1337.075)(814.54974, 807.885) 2 789.5539 789.5539@5.9679556 + 601.2251@5.968704 5.968704 (602.2323, 2748.76) 1 601.2251 601.2251@5.968704 + 864.5849@5.985626 5.985626 (865.5921, 2176.07)(866.5786, 1206.49) 1 864.5849 864.5849@5.985626 + 825.5577@6.190657 6.190657 (826.565, 2126.16) 1 825.5577 825.5577@6.190657 + 536.3479@6.20658 6.20658 (537.3552, 1302.38) 1 536.3479 536.3479@6.20658 + 889.5669@6.269722 6.269722 (890.57495, 1582.4299)(891.5738, 1315.55)(892.5837, 765.31) 2 889.5669 889.5669@6.269722 + 650.4009@6.559799 6.559799 (651.4081, 1401.11)(652.4148, 924.57) 1 650.4009 650.4009@6.559799 + 857.4965@6.7129846 6.7129846 (858.5038, 839.48)(859.5027, 845.71)(860.4952, 1829.46)(861.5088, 751.53)(862.4938, 1808.08) 1 857.4965 857.4965@6.7129846 + 868.9906@6.7139792 6.7139792 (869.9978, 864.3)(871.0069, 721.9) 1 868.9906 868.9906@6.7139792 + 1151.1423@6.716963 6.716963 (1152.1497, 800.57)(1153.1713, 600.03)(1154.1422, 560.15) 1 1151.1423 1151.1423@6.716963 + 837.987@6.719947 6.719947 (838.9943, 4472.57)(840.0037, 3151.79) 1 837.987 837.987@6.719947 + 1140.6412@6.7209415 6.7209415 (1141.6486, 808.49)(1142.6461, 845.44)(1143.6565, 966.82) 1 1140.6412 1140.6412@6.7209415 + 850.4881@6.7249203 6.7249203 (851.4953, 2524.93)(852.5136, 1665.82)(853.5172, 1101.53) 1 850.4881 850.4881@6.7249203 + 1334.8297@6.7318826 6.7318826 (1335.837, 1284.7)(1336.8448, 1102.62)(1337.8523, 2256.21) 1 1334.8297 1334.8297@6.7318826 + 1357.316@6.7319837 6.7319837 (1358.3309, 1239.235)(1359.3372, 1344.46)(1360.356, 1307.44)(1361.3539, 1000.03) 2 1357.316 1357.316@6.7319837 + 1632.0099@6.7343903 6.7343903 (1633.0171, 1722.39)(1634.0192, 1645.6133)(1635.0244, 1419.6835) 3 1632.0099 1632.0099@6.7343903 + 1360.3447@6.7376466 6.7376466 (1361.3531, 1830.0333)(1362.3589, 1702.54)(1363.3619, 1010.0) 3 1360.3447 1360.3447@6.7376466 + 1361.3474@6.7388444 6.7388444 (1362.3546, 3106.23)(1363.3616, 1850.43)(1364.3726, 1338.0) 1 1361.3474 1361.3474@6.7388444 + 1347.8401@6.743818 6.743818 (1348.8473, 1585.32)(1349.854, 2080.2)(1350.8594, 2897.59)(1351.8683, 3725.15) 1 1347.8401 1347.8401@6.743818 + 1326.3557@6.7615757 6.7615757 (1327.3634, 5761.033)(1328.3718, 7346.6953)(1329.3788, 8386.794)(1330.3868, 11411.0205)(1331.3936, 9532.649)(1332.3995, 5025.3066)(1333.3938, 1221.75) 6 1326.3557 1326.3557@6.7615757 + 1019.6982@6.769887 6.769887 (1020.70447, 19837.541)(1021.7073, 6828.0903)(1022.7094, 2754.49) 2 1019.6982 1019.6982@6.769887 + 1301.7977@6.8306265 6.8306265 (1302.8025, 1580.6)(1303.8057, 1939.1201) 2 1301.7977 1301.7977@6.8306265 + 954.7493@6.887027 6.887027 (955.7565, 556.59)(956.7572, 661.13) 1 954.7493 954.7493@6.887027 + 247.1422@7.068989 7.068989 (248.1486, 554.32)(230.1389, 4076.84)(231.1415, 1182.94) 1 247.1422 247.1422@7.068989 + 253.911@7.255883 7.255883 (254.9182, 1042.59) 1 253.911 253.911@7.255883 + 640.305@7.378137 7.378137 (641.3123, 981.56) 1 640.305 640.305@7.378137 + 146.1617@7.562977 7.562977 (147.169, 1973.87) 1 146.1617 146.1617@7.562977 + 568.377@1.0484252 1.0484252 (569.3816, 11632.507)(570.3875, 8994.61)(571.3894, 2687.54) 3 568.377 568.377@1.0484252 + 893.1844@1.0102118 1.0102118 (894.1924, 1506.915)(895.1891, 1277.52)(896.1869, 1316.8999)(897.1858, 787.16003) 2 893.1844 893.1844@1.0102118 + 1118.231@1.0127108 1.0127108 (1119.239, 1348.8401)(1120.2375, 1093.035) 2 1118.231 1118.231@1.0127108 + 819.2133@1.0146694 1.0146694 (820.2205, 1238.32) 1 819.2133 819.2133@1.0146694 + 628.5464@1.0176678 1.0176678 (629.5537, 2201.25)(630.5584, 1190.65) 1 628.5464 628.5464@1.0176678 + 745.1576@1.0176678 1.0176678 (746.1649, 971.53)(747.1544, 815.89) 1 745.1576 745.1576@1.0176678 + 470.3951@1.0261871 1.0261871 (471.40326, 2935.4849)(488.42853, 2623.96)(489.43185, 1222.335) 2 470.3951 470.3951@1.0261871 + 400.2956@1.0536478 1.0536478 (401.3028, 2190.12) 1 400.2956 400.2956@1.0536478 + 104.0265@1.0646415 1.0646415 (105.0338, 6794.04)(106.0369, 658.3) 1 104.0265 104.0265@1.0646415 + 673.4945@1.0676397 1.0676397 (674.5018, 3937.64)(675.5124, 2270.27) 1 673.4945 673.4945@1.0676397 + 528.4018@1.0746357 1.0746357 (529.4091, 3755.49)(546.4345, 11112.76)(547.4361, 5805.96)(548.4455, 3811.08)(551.3941, 3690.79) 1 528.4018 528.4018@1.0746357 + 502.3246@1.077634 1.077634 (503.3319, 3046.69) 1 502.3246 502.3246@1.077634 + 253.0404@1.0913544 1.0913544 (254.04805, 1491.365) 2 253.0404 253.0404@1.0913544 + 228.0355@1.094624 1.094624 (229.0428, 2328.1) 1 228.0355 228.0355@1.094624 + 769.5162@1.0956235 1.0956235 (770.5218, 1109.71)(771.5407, 785.44)(772.5184, 791.44)(792.5101, 815.06) 1 769.5162 769.5162@1.0956235 + 347.1942@1.0956235 1.0956235 (348.2, 2636.23)(365.2287, 2683.67) 1 347.1942 347.1942@1.0956235 + 605.4684@1.1056175 1.1056175 (606.4756, 7889.57)(607.4712, 4408.07) 1 605.4684 605.4684@1.1056175 + 591.3872@1.1151714 1.1151714 (592.39307, 2060.865)(593.4022, 1489.88) 2 591.3872 591.3872@1.1151714 + 548.3272@1.1186098 1.1186098 (549.3345, 1637.03) 1 548.3272 548.3272@1.1186098 + 734.528@1.1186098 1.1186098 (735.5352, 1622.25) 1 734.528 734.528@1.1186098 + 453.1826@1.1236068 1.1236068 (454.1898, 1563.82) 1 453.1826 453.1826@1.1236068 + 492.3044@1.1256057 1.1256057 (493.3116, 2157.08) 1 492.3044 492.3044@1.1256057 + 524.3835@1.126605 1.126605 (525.3908, 1907.39) 1 524.3835 524.3835@1.126605 + 581.4557@1.1296033 1.1296033 (582.4629, 2391.85)(583.4533, 1323.21)(584.467, 2445.72) 1 581.4557 581.4557@1.1296033 + 393.3319@1.1306027 1.1306027 (394.3392, 2378.67) 1 393.3319 393.3319@1.1306027 + 584.406@1.1316019 1.1316019 (585.4133, 1655.99) 1 584.406 584.406@1.1316019 + 747.5964@1.1595849 1.1595849 (748.6037, 891.96) 1 747.5964 747.5964@1.1595849 + 564.5582@1.1715775 1.1715775 (565.5655, 4067.98)(566.5691, 1857.75) 1 564.5582 564.5582@1.1715775 + 536.5274@1.1710985 1.1710985 (537.5344, 4338.975)(538.53815, 1758.635) 2 536.5274 536.5274@1.1710985 + 360.2755@1.1845691 1.1845691 (361.2828, 2438.98) 1 360.2755 360.2755@1.1845691 + 387.2307@1.1935636 1.1935636 (388.238, 5919.8)(389.2302, 2326.07) 1 387.2307 387.2307@1.1935636 + 292.272@1.1935636 1.1935636 (293.2793, 1227.53) 1 292.272 292.272@1.1935636 + 309.2151@1.1950612 1.1950612 (310.22235, 23734.05)(311.2238, 8656.24)(312.2221, 2341.72) 2 309.2151 309.2151@1.1950612 + 260.1387@1.1965616 1.1965616 (261.146, 8439.06) 1 260.1387 260.1387@1.1965616 + 363.2621@1.1991298 1.1991298 (364.26944, 92726.07)(365.2744, 20886.13) 2 363.2621 363.2621@1.1991298 + 355.3066@1.1995597 1.1995597 (356.3139, 2606.93) 1 355.3066 355.3066@1.1995597 + 315.2504@1.2265422 1.2265422 (316.2577, 3471.26)(317.2692, 1324.06) 1 315.2504 315.2504@1.2265422 + 597.4492@1.234537 1.234537 (598.4565, 2116.04) 1 597.4492 597.4492@1.234537 + 461.3002@1.2555231 1.2555231 (462.3075, 1884.8) 1 461.3002 461.3002@1.2555231 + 502.2899@1.2575217 1.2575217 (503.2972, 1228.71) 1 502.2899 502.2899@1.2575217 + 438.2221@1.258521 1.258521 (439.2283, 2684.26)(421.2208, 1981.16) 1 438.2221 438.2221@1.258521 + 225.1728@1.2625184 1.2625184 (451.3583, 1045.57)(226.1801, 241049.1)(227.1828, 38274.67) 1 225.1728 225.1728@1.2625184 + 319.2435@1.2625184 1.2625184 (639.49, 1061.32)(320.2519, 1913.81) 1 319.2435 319.2435@1.2625184 + 292.0871@1.2645171 1.2645171 (293.0937, 3900.84)(294.0977, 960.66)(310.1234, 1190.64) 1 292.0871 292.0871@1.2645171 + 168.1253@1.2725116 1.2725116 (169.1326, 15722.35)(170.1366, 1690.15) 1 168.1253 168.1253@1.2725116 + 302.2399@1.2775083 1.2775083 (605.4867, 3043.55)(606.4889, 1237.82)(303.2475, 1488.36) 1 302.2399 302.2399@1.2775083 + 106.0627@1.2064017 1.2064017 (107.07096, 15897.234)(108.0737, 1585.67)(89.0597, 11266.9)(90.0562, 967.47)(91.0536, 519.19) 3 106.0627 106.0627@1.2064017 + 548.346@1.3094862 1.3094862 (549.3533, 916.88) 1 548.346 548.346@1.3094862 + 227.057@1.3924267 1.3924267 (228.0643, 1976.49) 1 227.057 227.057@1.3924267 + 812.5441@1.4713668 1.4713668 (813.5509, 2189.82)(814.5554, 1449.83)(830.579, 1310.12)(831.5853, 973.89)(835.5332, 2646.3)(836.5343, 1663.4)(837.5488, 2742.61)(838.552, 1500.5)(839.5635, 1745.37) 1 812.5441 812.5441@1.4713668 + 206.1153@1.4923503 1.4923503 (207.1235, 3707.51)(224.148, 4735.16)(225.1508, 878.62) 1 206.1153 206.1153@1.4923503 + 337.1856@1.7211555 1.7211555 (338.1928, 1505.59) 1 337.1856 337.1856@1.7211555 + 618.3245@1.8949887 1.8949887 (619.3318, 1908.77)(620.3423, 882.75) 1 618.3245 618.3245@1.8949887 + 530.3026@2.696 2.696 (531.309, 1235.41)(513.2997, 1924.88)(514.2969, 942.34) 1 530.3026 530.3026@2.696 + 433.1049@2.7229602 2.7229602 (434.1117, 720.9)(416.1017, 2443.75) 1 433.1049 433.1049@2.7229602 + 321.9936@2.7379382 2.7379382 (323.0009, 1070.3) 1 321.9936 321.9936@2.7379382 + 733.5313@2.7848673 2.7848673 (734.5385, 1221.25)(735.5425, 1011.78) 1 733.5313 733.5313@2.7848673 + 247.057@2.9316378 2.9316378 (248.0643, 1383.37) 1 247.057 247.057@2.9316378 + 243.1981@3.0224888 3.0224888 (244.2053, 7820.88)(245.2083, 1574.69) 1 243.1981 243.1981@3.0224888 + 221.0718@3.4812846 3.4812846 (222.0778, 2880.085)(223.0752, 988.37) 2 221.0718 221.0718@3.4812846 + 457.4129@3.6882393 3.6882393 (458.4202, 1181.19) 1 457.4129 457.4129@3.6882393 + 556.4427@3.8927977 3.8927977 (557.45, 2393.87)(558.4368, 963.92) 1 556.4427 556.4427@3.8927977 + 1075.0469@3.916744 3.916744 (1076.0546, 1574.43)(1077.0573, 810.99)(1098.0347, 803.63) 1 1075.0469 1075.0469@3.916744 + 814.6896@3.9197373 3.9197373 (815.6968, 965.41)(816.7006, 619.56) 1 814.6896 814.6896@3.9197373 + 700.1828@3.9162354 3.9162354 (701.1904, 1021.38)(702.2046, 770.93) 2 700.1828 700.1828@3.9162354 + 617.2143@3.9317105 3.9317105 (618.2215, 2249.98)(619.2231, 920.97)(620.2141, 698.04) 1 617.2143 617.2143@3.9317105 + 804.3954@4.0264935 4.0264935 (805.4037, 1444.66)(806.4139, 776.38)(827.3831, 1208.94) 1 804.3954 804.3954@4.0264935 + 678.2012@4.3296895 4.3296895 (679.2086, 2209.9448)(680.2108, 1131.6399)(701.1884, 502.13)(702.1941, 688.06)(703.1956, 537.96) 2 678.2012 678.2012@4.3296895 + 746.1892@4.3317537 4.3317537 (747.1964, 1267.76)(748.1958, 779.08) 1 746.1892 746.1892@4.3317537 + 215.1136@4.3706546 4.3706546 (216.1208, 4620.52)(217.1278, 1402.04) 1 215.1136 215.1136@4.3706546 + 827.8906@4.6060333 4.6060333 (828.8978, 2735.44)(829.9006, 2043.26) 1 827.8906 827.8906@4.6060333 + 828.3935@4.6110196 4.6110196 (829.4008, 2264.6)(830.4048, 1017.95) 1 828.3935 828.3935@4.6110196 + 904.5866@4.6358643 4.6358643 (905.59344, 10696.26)(906.59686, 3657.1477)(907.5977, 1220.35) 5 904.5866 904.5866@4.6358643 + 461.2624@4.762598 4.762598 (462.2697, 2178.76) 1 461.2624 461.2624@4.762598 + 373.1788@4.805475 4.805475 (374.1861, 2479.67)(375.1888, 956.35) 1 373.1788 373.1788@4.805475 + 389.7729@5.425554 5.425554 (390.7802, 1871.14) 1 389.7729 389.7729@5.425554 + 900.6415@5.427547 5.427547 (901.6488, 1525.82) 1 900.6415 900.6415@5.427547 + 701.457@5.445487 5.445487 (702.4643, 942.89) 1 701.457 701.457@5.445487 + 950.5431@5.445487 5.445487 (951.5504, 1392.15)(952.5619, 1340.98)(953.5641, 1335.97) 1 950.5431 950.5431@5.445487 + 866.6309@5.451467 5.451467 (867.6382, 9817.04) 1 866.6309 866.6309@5.451467 + 533.7123@5.47738 5.47738 (534.7196, 1594.79) 1 533.7123 533.7123@5.47738 + 763.5385@5.506282 5.506282 (764.5458, 1531.49)(765.5497, 766.53)(766.5456, 3950.15) 1 763.5385 763.5385@5.506282 + 1212.8254@5.4923186 5.4923186 (1213.8367, 1562.2734)(1214.8381, 1173.145)(1215.8384, 1027.25) 3 1212.8254 1212.8254@5.4923186 + 829.5481@5.513258 5.513258 (830.5554, 24858.67)(831.5606, 12819.67) 1 829.5481 829.5481@5.513258 + 781.5614@5.5331903 5.5331903 (1564.1237, 2586.97)(1565.1282, 2400.98)(782.5687, 376601.8) 1 781.5614 781.5614@5.5331903 + 735.5508@5.5411634 5.5411634 (736.5621, 645.67)(718.5467, 1325.69)(719.5371, 645.74) 1 735.5508 735.5508@5.5411634 + 1305.3225@5.5640845 5.5640845 (1306.3298, 1021.71)(1307.3347, 1202.8) 1 1305.3225 1305.3225@5.5640845 + 989.0477@5.566077 5.566077 (990.055, 785.93)(991.0583, 698.24) 1 989.0477 989.0477@5.566077 + 796.5284@5.594978 5.594978 (797.5357, 20488.57)(798.5454, 6338.33) 1 796.5284 796.5284@5.594978 + 913.5532@5.613912 5.613912 (914.5604, 1457.89)(915.5741, 294.73) 1 913.5532 913.5532@5.613912 + 983.5152@5.6248736 5.6248736 (984.5225, 1565.32)(985.5248, 887.27) 1 983.5152 983.5152@5.6248736 + 672.4158@5.666727 5.666727 (673.4231, 1763.13)(674.435, 377.71) 1 672.4158 672.4158@5.666727 + 1567.1482@5.699365 5.699365 (1568.1554, 1343.2567)(1569.161, 1021.3599)(1570.1635, 704.95) 3 1567.1482 1567.1482@5.699365 + 819.5826@5.7095757 5.7095757 (820.5899, 4351.17)(821.5744, 3369.11) 1 819.5826 819.5826@5.7095757 + 769.4516@5.7082977 5.7082977 (770.4622, 1683.7433)(771.46484, 967.94) 3 769.4516 769.4516@5.7082977 + 949.5259@5.728508 5.728508 (950.5332, 965.31)(951.5353, 838.18) 1 949.5259 949.5259@5.728508 + 818.5863@5.756408 5.756408 (819.5935, 9172.46)(820.593, 3065.98) 1 818.5863 818.5863@5.756408 + 851.0549@5.8311377 5.8311377 (852.0622, 867.47)(853.0716, 972.4) 1 851.0549 851.0549@5.8311377 + 769.0513@5.8311377 5.8311377 (770.0586, 1371.3) 1 769.0513 769.0513@5.8311377 + 528.3184@5.834438 5.834438 (529.3238, 2460.31)(530.3317, 1095.04)(546.3529, 3246.39)(547.35565, 1014.81665) 3 528.3184 528.3184@5.834438 + 832.469@5.8391085 5.8391085 (833.4763, 827.14)(834.4798, 1052.58)(835.4845, 600.59) 1 832.469 832.469@5.8391085 + 665.4254@5.9029016 5.9029016 (666.43304, 2735.55)(667.4359, 1199.9501)(668.4472, 1311.66)(688.4126, 851.48) 4 665.4254 665.4254@5.9029016 + 904.5402@5.963647 5.963647 (905.5492, 1856.51)(927.5272, 1685.48) 1 904.5402 904.5402@5.963647 + 747.449@5.963647 5.963647 (748.4549, 1258.63)(749.4638, 868.41)(730.447, 2174.89)(731.4568, 1172.89)(732.4498, 3220.71)(733.4516, 1775.63)(734.4487, 532.46) 1 747.449 747.449@5.963647 + 900.5144@5.9676094 5.9676094 (901.52136, 2410.07)(923.5051, 1085.74) 2 900.5144 900.5144@5.9676094 + 1061.6226@5.967632 5.967632 (1062.6299, 1069.2)(1063.622, 996.03)(1064.6184, 755.6) 1 1061.6226 1061.6226@5.967632 + 853.5887@6.0582876 6.0582876 (854.596, 1052.65)(855.5867, 371.58) 1 853.5887 853.5887@6.0582876 + 651.4378@6.1738396 6.1738396 (652.445, 15043.42)(653.4471, 3046.11) 1 651.4378 651.4378@6.1738396 + 753.449@6.179816 6.179816 (754.4563, 2784.71)(755.4594, 1455.29) 1 753.449 753.449@6.179816 + 709.4525@6.3132834 6.3132834 (710.4598, 2145.48)(711.4518, 447.11) 1 709.4525 709.4525@6.3132834 + 691.5483@6.3202553 6.3202553 (692.5556, 1096.47)(693.5555, 626.1) 1 691.5483 691.5483@6.3202553 + 839.5527@6.2652044 6.2652044 (840.56256, 1459.135)(841.5652, 1080.78) 2 839.5527 839.5527@6.2652044 + 694.4566@6.447733 6.447733 (695.4639, 1591.41)(696.4679, 681.49) 1 694.4566 694.4566@6.447733 + 638.4315@6.561256 6.561256 (639.4387, 7562.46)(640.4383, 1796.83) 1 638.4315 638.4315@6.561256 + 736.4684@6.599095 6.599095 (737.4757, 1720.09)(738.4795, 1045.24) 1 736.4684 736.4684@6.599095 + 652.4129@6.644898 6.644898 (653.4202, 4967.63)(654.4246, 1052.82) 1 652.4129 652.4129@6.644898 + 711.4096@6.647211 6.647211 (712.4177, 3632.63)(713.4214, 2523.92) 2 711.4096 711.4096@6.647211 + 807.4466@6.6528635 6.6528635 (808.4538, 996.35)(809.4624, 725.08)(810.4555, 1257.68)(811.4597, 435.29)(812.4645, 1557.97) 1 807.4466 807.4466@6.6528635 + 763.4598@6.666803 6.666803 (764.4593, 923.17)(746.4568, 8508.2)(747.4606, 3573.7) 1 763.4598 763.4598@6.666803 + 671.3866@6.667799 6.667799 (672.3938, 4719.54)(673.4118, 2312.75) 1 671.3866 671.3866@6.667799 + 730.4202@6.6757646 6.6757646 (731.4274, 3014.21) 1 730.4202 730.4202@6.6757646 + 680.4092@6.703643 6.703643 (681.4164, 2154.36) 1 680.4092 680.4092@6.703643 + 923.5144@6.688554 6.688554 (924.51996, 1528.51)(925.5277, 616.29)(926.5335, 630.5) 2 923.5144 923.5144@6.688554 + 829.9883@6.7126036 6.7126036 (830.9956, 762.59)(832.0057, 688.88)(832.9992, 538.78) 1 829.9883 829.9883@6.7126036 + 818.4688@6.7155905 6.7155905 (819.4761, 1154.43)(820.4608, 340.3) 1 818.4688 818.4688@6.7155905 + 1084.177@6.742722 6.742722 (1085.1875, 1725.135)(1086.1746, 1115.46)(1087.1805, 602.46) 2 1084.177 1084.177@6.742722 + 1148.6646@6.7733364 6.7733364 (1149.6719, 1188.33)(1150.6772, 1021.37)(1151.6776, 1073.27) 1 1148.6646 1148.6646@6.7733364 + 832.9832@6.7484293 6.7484293 (833.9962, 1548.465)(835.0054, 1469.815)(835.9945, 1660.0) 2 832.9832 832.9832@6.7484293 + 1126.1595@6.778314 6.778314 (1127.1667, 897.51)(1128.1768, 1032.24)(1129.1903, 919.88) 1 1126.1595 1126.1595@6.778314 + 790.9954@6.7912564 6.7912564 (792.0027, 7361.37) 1 790.9954 790.9954@6.7912564 + 791.968@6.860945 6.860945 (792.9753, 2071.67) 1 791.968 791.968@6.860945 + 587.2943@6.865923 6.865923 (588.3016, 1497.38)(589.2894, 910.2) 1 587.2943 587.2943@6.865923 + 736.4337@6.8738866 6.8738866 (737.4416, 1036.56)(719.4303, 4888.45)(720.4333, 2178.01)(721.4328, 916.11) 1 736.4337 736.4337@6.8738866 + 493.3834@6.898774 6.898774 (494.3907, 2223.77)(495.4033, 972.31) 1 493.3834 493.3834@6.898774 + 748.4713@7.120746 7.120746 (749.4786, 4357.84)(750.4804, 1566.91) 1 748.4713 748.4713@7.120746 + 583.421@7.2590837 7.2590837 (584.4283, 1976.92) 1 583.421 583.421@7.2590837 + 597.326@7.370044 7.370044 (598.33374, 2539.75)(599.33936, 1035.38) 2 597.326 597.326@7.370044 + 615.2917@7.375513 7.375513 (616.2989, 2187.03)(617.3047, 650.4) 1 615.2917 615.2917@7.375513 + 588.3365@7.433225 7.433225 (589.3438, 1211.71) 1 588.3365 588.3365@7.433225 + 720.4047@7.492925 7.492925 (721.4119, 1283.3)(722.428, 802.12) 1 720.4047 720.4047@7.492925 + 423.2014@7.5894327 7.5894327 (424.2087, 4997.56)(425.2121, 1407.28) 1 423.2014 423.2014@7.5894327 + 437.2172@7.6381807 7.6381807 (438.2245, 4125.4)(439.2254, 1017.26) 1 437.2172 437.2172@7.6381807 + 571.338@7.6857 7.6857 (572.3456, 2420.52)(573.3549, 1070.38) 2 571.338 571.338@7.6857 + 479.1891@8.023115 8.023115 (480.1964, 1716.24) 1 479.1891 479.1891@8.023115 + 468.1949@8.192164 8.192164 (469.2022, 1411.0)(470.2136, 795.17) 1 468.1949 468.1949@8.192164 + 483.1869@8.423817 8.423817 (484.1942, 3728.31)(485.1992, 1045.57) 1 483.1869 483.1869@8.423817 + 525.2141@9.049917 9.049917 (526.2214, 1263.55) 1 525.2141 525.2141@9.049917 + 257.1239@9.340971 9.340971 (258.1311, 2262.54) 1 257.1239 257.1239@9.340971 + 497.2143@9.723283 9.723283 (498.2215, 1980.94) 1 497.2143 497.2143@9.723283 + 644.8822@9.783843 9.783843 (645.8894, 873.74) 1 644.8822 644.8822@9.783843 + 574.8134@10.033987 10.033987 (575.8207, 848.39)(576.827, 483.84) 1 574.8134 574.8134@10.033987 + 384.1664@10.105444 10.105444 (385.1737, 1565.8) 1 384.1664 384.1664@10.105444 + 230.0992@10.850458 10.850458 (231.1064, 4174.73) 1 230.0992 230.0992@10.850458 + 539.9392@0.8419241 0.8419241 (540.9466, 962.73)(557.973, 3306.38)(558.9754, 1436.06)(559.9715, 779.59) 1 539.9392 539.9392@0.8419241 + 632.1492@0.8439237 0.8439237 (633.1565, 11809.54)(634.1575, 4114.84)(635.1555, 1338.23) 1 632.1492 632.1492@0.8439237 + 1247.2703@0.8439237 0.8439237 (1248.2776, 5744.36)(1249.2797, 4592.79)(1250.2761, 3251.31) 1 1247.2703 1247.2703@0.8439237 + 1040.0671@0.84492356 0.84492356 (1041.0743, 2138.57)(1042.0746, 1561.55)(1043.0754, 782.27) 1 1040.0671 1040.0671@0.84492356 + 853.0389@0.84492356 0.84492356 (854.05, 1387.34)(855.0509, 621.24)(836.0342, 3265.14)(837.0377, 2144.52)(838.0346, 1018.98) 1 853.0389 853.0389@0.84492356 + 932.7673@0.84592336 0.84592336 (933.7746, 2112.79)(934.777, 1358.19) 1 932.7673 932.7673@0.84592336 + 912.0748@0.84592336 0.84592336 (913.0821, 1263.96) 1 912.0748 912.0748@0.84592336 + 1047.187@0.8469232 0.8469232 (1048.1942, 2335.34)(1049.197, 1166.34)(1050.1918, 704.35) 1 1047.187 1047.187@0.8469232 + 637.1058@0.8469232 0.8469232 (638.1131, 2974.95)(639.1115, 892.86) 1 637.1058 637.1058@0.8469232 + 839.6699@0.847923 0.847923 (840.6772, 1690.58)(841.6764, 898.54)(842.6853, 662.49) 1 839.6699 839.6699@0.847923 + 842.1452@0.8489228 0.8489228 (843.1525, 2310.47)(844.1529, 924.93) 1 842.1452 842.1452@0.8489228 + 394.1775@0.9609011 0.9609011 (395.1848, 3572.55)(396.1853, 1077.56) 1 394.1775 394.1775@0.9609011 + 967.2226@1.0068598 1.0068598 (968.23145, 2715.245)(969.23413, 2271.725)(970.22986, 2027.2051) 2 967.2226 967.2226@1.0068598 + 711.2259@1.0168015 1.0168015 (712.2341, 2528.6501)(713.2343, 1834.3467)(714.2331, 1374.8002) 3 711.2259 711.2259@1.0168015 + 731.1455@1.0168886 1.0168886 (732.1525, 1195.57)(733.1517, 812.0)(749.1795, 1342.35)(750.1809, 797.15) 1 731.1455 731.1455@1.0168886 + 725.2203@1.0188882 1.0188882 (726.2276, 2255.09)(727.2291, 1647.87) 1 725.2203 725.2203@1.0188882 + 645.5422@1.057879 1.057879 (646.5494, 1959.91)(647.5569, 991.05) 1 645.5422 645.5422@1.057879 + 463.1991@1.0608783 1.0608783 (464.2064, 1744.09) 1 463.1991 463.1991@1.0608783 + 617.5085@1.0648773 1.0648773 (618.5158, 2441.28)(619.5262, 1404.4)(620.5261, 1312.3) 1 617.5085 617.5085@1.0648773 + 330.316@1.0718756 1.0718756 (331.3199, 980.83)(353.3056, 8395.95)(354.2992, 2656.84) 1 330.316 330.316@1.0718756 + 416.2911@1.0738751 1.0738751 (417.2984, 2799.78) 1 416.2911 416.2911@1.0738751 + 375.1695@1.078266 1.078266 (376.17657, 3636.68)(377.18655, 1573.3) 2 375.1695 375.1695@1.078266 + 632.4431@1.0808733 1.0808733 (633.4503, 1490.0) 1 632.4431 632.4431@1.0808733 + 582.325@1.0893383 1.0893383 (583.3351, 1856.3899) 2 582.325 582.325@1.0893383 + 568.311@1.0893074 1.0893074 (569.3176, 3112.1277)(570.3216, 1806.7275)(571.3232, 612.34) 4 568.311 568.311@1.0893074 + 660.4587@1.116864 1.116864 (661.466, 1754.59)(662.4874, 891.07) 1 660.4587 660.4587@1.116864 + 344.1581@1.1012728 1.1012728 (345.16882, 2758.975)(346.17865, 1305.6)(327.157, 918.37)(362.1899, 2293.61)(367.1519, 853.46) 2 344.1581 344.1581@1.1012728 + 648.6243@1.123862 1.123862 (649.6315, 3314.34)(650.6369, 1123.76) 1 648.6243 648.6243@1.123862 + 486.3913@1.1147518 1.1147518 (487.39865, 1569.1101)(469.3878, 17315.0)(470.3843, 9241.03)(509.3836, 2186.35) 2 486.3913 486.3913@1.1147518 + 343.2218@1.1277447 1.1277447 (704.4749, 816.3)(344.2288, 12263.225)(345.23914, 4604.615)(346.2217, 2475.31) 2 343.2218 343.2218@1.1277447 + 501.2787@1.1546825 1.1546825 (502.28384, 1771.7168)(524.2658, 744.845) 3 501.2787 501.2787@1.1546825 + 454.2879@1.1548536 1.1548536 (455.2967, 1227.3)(437.2846, 8587.74)(438.2872, 2141.42) 1 454.2879 454.2879@1.1548536 + 759.5682@1.1838454 1.1838454 (760.5755, 15158.56)(761.5785, 7018.75)(762.5791, 2534.15) 1 759.5682 759.5682@1.1838454 + 497.2851@1.1958419 1.1958419 (498.2924, 4074.69)(499.3113, 1859.76) 1 497.2851 497.2851@1.1958419 + 570.0795@1.1982222 1.1982222 (571.08716, 1571.4) 2 570.0795 570.0795@1.1982222 + 338.0112@1.2088381 1.2088381 (339.0185, 2121.42) 1 338.0112 338.0112@1.2088381 + 423.3386@1.2158359 1.2158359 (424.3445, 5741.79)(446.3286, 8785.68) 1 423.3386 423.3386@1.2158359 + 353.1683@1.2218342 1.2218342 (354.1756, 3290.33) 1 353.1683 353.1683@1.2218342 + 553.2895@1.2548239 1.2548239 (554.2991, 2524.19)(555.2981, 1379.18)(536.2844, 2461.74) 1 553.2895 553.2895@1.2548239 + 408.3345@1.3947756 1.3947756 (409.3418, 11096.43)(410.3459, 3605.99)(431.3239, 2212.27)(432.3262, 953.1) 1 408.3345 408.3345@1.3947756 + 577.9311@1.5195733 1.5195733 (578.9387, 2444.0527)(579.9339, 676.96) 4 577.9311 577.9311@1.5195733 + 396.0656@1.5667048 1.5667048 (397.0729, 2060.62)(398.0712, 978.89) 1 396.0656 396.0656@1.5667048 + 403.1287@1.5667048 1.5667048 (404.136, 1821.39) 1 403.1287 403.1287@1.5667048 + 520.1867@1.5727019 1.5727019 (521.1948, 1485.16)(543.1755, 4370.86) 1 520.1867 520.1867@1.5727019 + 209.1309@1.6056868 1.6056868 (210.1382, 4446.21)(211.1359, 935.12)(212.1273, 1022.57) 1 209.1309 209.1309@1.6056868 + 208.1853@1.7139447 1.7139447 (209.19269, 1816.525)(191.1785, 1714.69) 2 208.1853 208.1853@1.7139447 + 406.1437@1.7122861 1.7122861 (407.1528, 1020.405) 2 406.1437 406.1437@1.7122861 + 418.0719@1.721629 1.721629 (419.0792, 969.44)(420.0808, 546.76) 1 418.0719 418.0719@1.721629 + 267.1522@1.7356215 1.7356215 (268.1595, 4900.08) 1 267.1522 267.1522@1.7356215 + 190.1715@1.739428 1.739428 (191.179, 1571.885) 2 190.1715 190.1715@1.739428 + 360.051@1.897528 1.897528 (361.0583, 923.96) 1 360.051 360.051@1.897528 + 334.9701@1.9155356 1.9155356 (335.97647, 1213.1901) 3 334.9701 334.9701@1.9155356 + 75.0682@1.9307836 1.9307836 (76.075455, 1500.355) 2 75.0682 75.0682@1.9307836 + 388.1453@2.0039291 2.0039291 (389.15247, 2873.5032) 3 388.1453 388.1453@2.0039291 + 260.016@2.0054579 2.0054579 (261.0233, 1421.12) 1 260.016 260.016@2.0054579 + 278.171@2.0074563 2.0074563 (279.1789, 3188.84)(280.1862, 1452.72)(296.2028, 2725.44)(301.1617, 2348.09) 1 278.171 278.171@2.0074563 + 485.0291@2.1542153 2.1542153 (486.03638, 802.625) 2 485.0291 485.0291@2.1542153 + 665.481@2.1683388 2.1683388 (666.4883, 1067.46)(667.4895, 539.77) 1 665.481 665.481@2.1683388 + 527.1369@2.8486512 2.8486512 (528.1442, 1188.19) 1 527.1369 527.1369@2.8486512 + 305.0274@2.8806105 2.8806105 (306.0347, 1488.33) 1 305.0274 305.0274@2.8806105 + 655.0527@2.8965898 2.8965898 (656.06, 1087.05) 1 655.0527 655.0527@2.8965898 + 640.1363@3.0983825 3.0983825 (641.14307, 1704.7949)(642.14606, 674.67) 2 640.1363 640.1363@3.0983825 + 423.0244@3.105301 3.105301 (424.0317, 1943.88) 1 423.0244 423.0244@3.105301 + 740.1686@3.1162846 3.1162846 (741.1748, 1269.49)(763.1587, 1258.76) 1 740.1686 740.1686@3.1162846 + 181.0644@3.1322608 3.1322608 (182.0717, 9084.36)(183.076, 1027.4) 1 181.0644 181.0644@3.1322608 + 370.074@3.1582217 3.1582217 (371.0812, 2535.88) 1 370.074 370.074@3.1582217 + 424.062@3.2101417 3.2101417 (425.0693, 1482.89) 1 424.062 424.062@3.2101417 + 409.9549@3.2111402 3.2111402 (410.9622, 1615.7) 1 409.9549 409.9549@3.2111402 + 291.1167@3.2231214 3.2231214 (292.124, 1415.04) 1 291.1167 291.1167@3.2231214 + 227.057@3.2960043 3.2960043 (228.0646, 1567.48)(250.0456, 1351.83) 1 227.057 227.057@3.2960043 + 211.0682@3.6224194 3.6224194 (212.0754, 2870.82)(213.0741, 748.18) 1 211.0682 211.0682@3.6224194 + 643.4657@3.854939 3.854939 (644.473, 1961.7)(645.4708, 913.59) 1 643.4657 643.4657@3.854939 + 717.5109@3.9427433 3.9427433 (718.5182, 1383.14)(719.5168, 1108.35) 1 717.5109 717.5109@3.9427433 + 163.1359@4.0241566 4.0241566 (344.3102, 695.96)(164.1432, 88993.39)(165.14665, 10066.71)(166.1521, 946.48) 2 163.1359 163.1359@4.0241566 + 565.8509@4.2948728 4.2948728 (566.8581, 1236.15) 1 565.8509 565.8509@4.2948728 + 399.9908@4.4324946 4.4324946 (400.998, 2413.59) 1 399.9908 399.9908@4.4324946 + 704.4307@4.5750785 4.5750785 (705.438, 3435.59)(706.4412, 740.5) 1 704.4307 704.4307@4.5750785 + 483.7818@4.637888 4.637888 (484.7891, 1328.22) 1 483.7818 483.7818@4.637888 + 1411.3019@4.6418753 4.6418753 (1412.3092, 716.52)(1413.3112, 1214.45)(1414.3125, 1090.13) 1 1411.3019 1411.3019@4.6418753 + 893.4672@4.769944 4.769944 (894.4752, 1147.26)(895.4782, 784.68) 2 893.4672 893.4672@4.769944 + 754.5704@4.8591747 4.8591747 (755.5777, 1388.08)(756.5716, 721.7) 1 754.5704 754.5704@4.8591747 + 623.4482@4.8820977 4.8820977 (624.4555, 7758.14)(625.4573, 891.3) 1 623.4482 623.4482@4.8820977 + 623.4484@4.9434834 4.9434834 (624.4558, 6148.115)(625.45984, 831.905) 2 623.4484 623.4484@4.9434834 + 386.0115@5.157114 5.157114 (387.0188, 1510.75) 1 386.0115 386.0115@5.157114 + 932.63@5.378248 5.378248 (933.636, 1510.93)(915.632, 932.53) 1 932.63 932.63@5.378248 + 892.5313@5.379244 5.379244 (893.5386, 5041.86) 1 892.5313 892.5313@5.379244 + 860.0422@5.389203 5.389203 (861.0495, 900.42) 1 860.0422 860.0422@5.389203 + 977.5338@5.393187 5.393187 (978.541, 638.69)(979.5495, 592.65) 1 977.5338 977.5338@5.393187 + 846.0559@5.395179 5.395179 (847.0631, 1185.79)(848.067, 1029.16)(849.0531, 989.0) 1 846.0559 846.0559@5.395179 + 1272.8192@5.40713 5.40713 (1273.8265, 1063.16)(1274.8282, 1107.72) 1 1272.8192 1272.8192@5.40713 + 1285.3241@5.4081254 5.4081254 (1286.3314, 769.15)(1287.3264, 852.62)(1288.3334, 928.06) 1 1285.3241 1285.3241@5.4081254 + 820.5777@5.4353123 5.4353123 (1642.1602, 3030.25)(1643.1573, 1839.97)(821.5875, 28427.611)(822.5777, 15991.993)(823.57764, 7710.397)(838.6104, 46418.65)(839.6126, 21542.39) 4 820.5777 820.5777@5.4353123 + 884.5321@5.439994 5.439994 (885.5394, 2642.41) 1 884.5321 884.5321@5.439994 + 915.5136@5.4951477 5.4951477 (916.53394, 3461.55)(917.5468, 1581.1101)(918.5601, 459.05) 3 915.5136 915.5136@5.4951477 + 1608.5988@5.4500976 5.4500976 (1609.6045, 918.68494)(1610.6116, 1551.285)(1611.6182, 1560.985)(1612.6255, 1536.02)(1613.6318, 1160.255)(1614.6357, 302.38)(1626.6357, 1242.44) 2 1608.5988 1608.5988@5.4500976 + 824.581@5.4439774 5.4439774 (825.5883, 8387.51) 1 824.581 824.581@5.4439774 + 1602.6091@5.4529395 5.4529395 (1603.6165, 1031.48)(1604.6208, 822.76)(1605.6289, 923.32) 1 1602.6091 1602.6091@5.4529395 + 1617.1588@5.47348 5.47348 (1618.1625, 3063.1533)(1619.1659, 1701.205)(1620.1808, 1521.08)(1621.1741, 824.86) 3 1617.1588 1617.1588@5.47348 + 1584.603@5.4685025 5.4685025 (1585.6067, 727.04504)(1586.6113, 1268.185)(1587.6166, 1881.78)(1588.6248, 1243.6) 2 1584.603 1584.603@5.4685025 + 924.5176@5.4798265 5.4798265 (925.5248, 1574.05)(926.539, 1621.33) 1 924.5176 924.5176@5.4798265 + 881.6537@5.487793 5.487793 (882.661, 1348.01)(883.6634, 709.79) 1 881.6537 881.6537@5.487793 + 763.5568@5.496755 5.496755 (1528.1285, 709.75)(764.5636, 2005.44)(765.545, 1202.49) 1 763.5568 763.5568@5.496755 + 90.047@5.4997425 5.4997425 (91.0543, 3114.91) 1 90.047 90.047@5.4997425 + 1556.1251@5.513683 5.513683 (1557.1324, 904.67)(1558.1327, 1145.46)(1559.129, 987.46) 1 1556.1251 1556.1251@5.513683 + 412.7941@5.5146785 5.5146785 (413.8013, 2364.36) 1 412.7941 412.7941@5.5146785 + 742.5698@5.5216494 5.5216494 (743.5771, 4021.66) 1 742.5698 742.5698@5.5216494 + 813.0631@5.493726 5.493726 (1627.124, 1572.34)(814.06415, 1689.845)(815.0624, 1071.51) 2 813.0631 813.0631@5.493726 + 1246.8427@5.547538 5.547538 (1247.8499, 2679.07)(1248.8564, 1995.2)(1249.862, 1329.06) 1 1246.8427 1246.8427@5.547538 + 813.068@5.5793886 5.5793886 (814.07495, 4280.3047)(815.0687, 1411.825) 2 813.068 813.068@5.5793886 + 770.0613@5.6630287 5.6630287 (771.0685, 2277.32)(772.0746, 1690.97) 1 770.0613 770.0613@5.6630287 + 159.1257@5.6739798 5.6739798 (160.133, 30031.97)(161.1357, 4191.72) 1 159.1257 159.1257@5.6739798 + 841.5745@5.6795053 5.6795053 (842.57776, 2741.645)(843.5852, 973.43) 2 841.5745 841.5745@5.6795053 + 841.5768@5.752102 5.752102 (842.5829, 1587.3601)(843.58954, 869.135) 2 841.5768 841.5768@5.752102 + 801.58@5.8204675 5.8204675 (802.58624, 1832.9967)(803.58075, 1417.2866) 3 801.58 801.58@5.8204675 + 733.4282@5.8212986 5.8212986 (734.4355, 923.82)(735.4371, 895.27) 1 733.4282 733.4282@5.8212986 + 873.5151@5.828883 5.828883 (874.525, 6561.04)(875.5474, 1236.85) 2 873.5151 873.5151@5.828883 + 882.5316@5.833242 5.833242 (883.5398, 1506.51)(900.5643, 2358.63)(901.569, 1347.4)(902.5815, 5679.87)(903.5826, 3776.87)(904.5953, 4478.24) 1 882.5316 882.5316@5.833242 + 889.511@5.8551373 5.8551373 (890.5183, 1997.1)(891.5236, 1487.42) 1 889.511 889.511@5.8551373 + 797.0725@5.8551373 5.8551373 (798.0798, 1296.65) 1 797.0725 797.0725@5.8551373 + 801.5799@5.8591185 5.8591185 (802.5872, 2065.32)(803.5788, 1774.13) 1 801.5799 801.5799@5.8591185 + 232.0716@5.9168396 5.9168396 (233.0789, 4305.82)(234.0796, 727.82) 1 232.0716 232.0716@5.9168396 + 990.5014@5.9646044 5.9646044 (991.5087, 670.69)(992.4961, 717.06) 1 990.5014 990.5014@5.9646044 + 962.5648@5.9685845 5.9685845 (963.5721, 1072.0)(964.5781, 1012.14) 1 962.5648 962.5648@5.9685845 + 582.9833@6.177512 6.177512 (583.9894, 1156.02)(565.9812, 1294.02) 1 582.9833 582.9833@6.177512 + 225.038@6.1803856 6.1803856 (226.045, 8968.074)(227.04926, 917.82996) 2 225.038 225.038@6.1803856 + 921.5236@6.189449 6.189449 (922.5308, 1315.03)(923.5473, 895.45)(924.5218, 3304.34)(925.5231, 1618.45)(926.5325, 2053.36) 1 921.5236 921.5236@6.189449 + 848.5566@6.393329 6.393329 (849.5639, 957.83)(850.566, 971.24) 1 848.5566 848.5566@6.393329 + 664.4157@6.557377 6.557377 (665.4229, 921.03) 1 664.4157 664.4157@6.557377 + 693.427@6.655783 6.655783 (694.4342, 1128.21) 1 693.427 693.427@6.655783 + 782.561@6.6583138 6.6583138 (783.5698, 1471.4551)(784.58246, 1002.94)(785.5888, 586.76) 2 782.561 782.561@6.6583138 + 552.4877@6.701502 6.701502 (553.495, 1683.32) 1 552.4877 552.4877@6.701502 + 756.6135@6.717403 6.717403 (757.6208, 825.39)(758.6191, 847.91) 1 756.6135 756.6135@6.717403 + 1313.3469@6.7492037 6.7492037 (1314.3541, 1576.79)(1315.3623, 2265.2)(1316.3712, 2719.51)(1317.3811, 3858.27) 1 1313.3469 1313.3469@6.7492037 + 1053.1785@6.751191 6.751191 (1054.1858, 4523.8) 1 1053.1785 1053.1785@6.751191 + 1127.6686@6.7591414 6.7591414 (1128.6758, 1611.49) 1 1127.6686 1127.6686@6.7591414 + 810.66@6.775041 6.775041 (811.6673, 1771.42)(812.6705, 1141.0) 1 810.66 810.66@6.775041 + 1078.6414@6.785035 6.785035 (1079.6455, 3874.955)(1080.6482, 2647.78)(1081.6606, 3152.585)(1082.6658, 1285.315) 2 1078.6414 1078.6414@6.785035 + 572.3497@6.874403 6.874403 (573.355, 787.26)(555.3465, 6970.22)(556.35, 1676.35) 1 572.3497 572.3497@6.874403 + 607.3118@7.027385 7.027385 (608.3191, 5806.84)(609.3219, 1893.62)(610.3321, 2089.36)(611.3356, 168.48) 1 607.3118 607.3118@7.027385 + 549.2893@7.160465 7.160465 (550.2965, 6660.68)(551.2959, 1957.24) 1 549.2893 549.2893@7.160465 + 471.1098@7.294503 7.294503 (472.1172, 1854.89)(494.0989, 1421.84) 1 471.1098 471.1098@7.294503 + 639.3016@7.424537 7.424537 (640.3088, 1194.05)(641.3107, 724.1)(642.3227, 833.92) 1 639.3016 639.3016@7.424537 + 561.3354@7.739599 7.739599 (562.34393, 1546.3966) 3 561.3354 561.3354@7.739599 + 536.0018@0.88705957 0.88705957 (1073.0121, 1107.34)(537.0109, 1081.28)(558.9906, 6422.68)(559.9926, 2170.89)(560.9879, 1241.16) 1 536.0018 536.0018@0.88705957 + 594.1401@1.0265231 1.0265231 (1206.3162, 1111.36)(595.1486, 1161.9451) 2 594.1401 594.1401@1.0265231 + 563.4544@1.0380751 1.0380751 (564.4616, 2015.08)(565.4552, 966.58)(566.4752, 872.41) 1 563.4544 563.4544@1.0380751 + 414.2757@1.0630777 1.0630777 (415.2829, 3922.44)(416.2966, 3355.02) 1 414.2757 414.2757@1.0630777 + 625.4515@1.0670621 1.0670621 (626.4576, 2605.255)(627.45087, 1319.37) 2 625.4515 625.4515@1.0670621 + 460.3831@1.0710785 1.0710785 (921.7721, 3709.42)(461.3925, 1757.57) 1 460.3831 460.3831@1.0710785 + 669.4721@1.0730788 1.0730788 (670.4793, 2949.86)(671.4793, 2037.41) 1 669.4721 669.4721@1.0730788 + 388.2968@1.0730788 1.0730788 (389.3041, 3333.31) 1 388.2968 388.2968@1.0730788 + 551.4632@1.0768824 1.0768824 (552.47015, 3483.27) 2 551.4632 551.4632@1.0768824 + 573.4204@1.0749015 1.0749015 (574.4258, 4230.24)(575.4221, 2486.85)(596.4135, 3048.11)(597.4183, 1214.44) 2 573.4204 573.4204@1.0749015 + 770.5058@1.0760791 1.0760791 (771.5131, 1115.88)(772.5219, 953.94) 1 770.5058 770.5058@1.0760791 + 736.4838@1.0780793 1.0780793 (737.4947, 939.17)(754.5161, 1584.24)(755.5179, 975.92)(756.5236, 1279.53) 1 736.4838 736.4838@1.0780793 + 508.3719@1.0790794 1.0790794 (509.3792, 2351.66) 1 508.3719 508.3719@1.0790794 + 659.4942@1.0810796 1.0810796 (660.5017, 3561.63)(661.485, 1775.66)(677.5272, 1154.56) 1 659.4942 659.4942@1.0810796 + 645.4871@1.0862641 1.0862641 (646.49615, 2298.7)(647.5092, 931.29) 3 645.4871 645.4871@1.0862641 + 479.3785@1.0870804 1.0870804 (480.3871, 3928.54)(481.3896, 2862.38)(482.3953, 2141.19)(497.4107, 2793.6) 1 479.3785 479.3785@1.0870804 + 585.4073@1.0910807 1.0910807 (586.4146, 2659.71)(587.426, 2077.64)(588.4161, 3327.39) 1 585.4073 585.4073@1.0910807 + 295.2866@1.0920808 1.0920808 (296.2939, 1496.59) 1 295.2866 295.2866@1.0920808 + 767.6344@1.0994974 1.0994974 (768.6452, 1766.0333) 3 767.6344 767.6344@1.0994974 + 545.3909@1.105408 1.105408 (546.39874, 6128.5703)(547.4002, 3330.73)(563.4294, 3138.79)(564.4483, 2360.9) 2 545.3909 545.3909@1.105408 + 325.2205@1.1110829 1.1110829 (326.2277, 3118.6) 1 325.2205 325.2205@1.1110829 + 210.1019@1.1120831 1.1120831 (211.1092, 6157.35)(212.1106, 1149.21) 1 210.1019 210.1019@1.1120831 + 661.4569@1.1886011 1.1886011 (662.4648, 1188.035)(663.4578, 948.55)(664.452, 1297.04) 2 661.4569 661.4569@1.1886011 + 413.2326@1.1260846 1.1260846 (414.2399, 2218.89) 1 413.2326 413.2326@1.1260846 + 721.5633@1.1270846 1.1270846 (722.5705, 1255.33) 1 721.5633 721.5633@1.1270846 + 603.3637@1.1550877 1.1550877 (604.3709, 1835.72)(605.387, 1033.52)(606.3661, 817.12) 1 603.3637 603.3637@1.1550877 + 661.422@1.1690893 1.1690893 (662.4293, 1179.31)(663.4513, 674.52) 1 661.422 661.422@1.1690893 + 445.2113@1.1850995 1.1850995 (446.21915, 3681.545)(447.2347, 748.66) 2 445.2113 445.2113@1.1850995 + 474.2257@1.1820909 1.1820909 (475.233, 1202.01) 1 474.2257 474.2257@1.1820909 + 565.4547@1.193092 1.193092 (566.4619, 2114.29)(567.4777, 1031.52) 1 565.4547 565.4547@1.193092 + 609.4626@1.2040932 1.2040932 (610.4728, 973.38)(592.4586, 2194.06)(593.448, 1440.43) 1 609.4626 609.4626@1.2040932 + 417.2712@1.2160946 1.2160946 (418.2785, 2716.29)(419.2856, 1885.54) 1 417.2712 417.2712@1.2160946 + 406.2858@1.2610998 1.2610998 (407.2931, 2687.71) 1 406.2858 406.2858@1.2610998 + 218.116@1.3011043 1.3011043 (219.1239, 3140.62)(241.105, 9236.1) 1 218.116 218.116@1.3011043 + 635.9736@1.324107 1.324107 (636.9809, 4424.05)(637.9806, 691.04) 1 635.9736 635.9736@1.324107 + 1351.3622@1.3261073 1.3261073 (1352.3695, 2916.86)(1353.3683, 2487.34)(1354.3676, 1810.16)(1355.3691, 887.5) 1 1351.3622 1351.3622@1.3261073 + 366.3209@1.3291075 1.3291075 (367.3282, 1885.45) 1 366.3209 366.3209@1.3291075 + 379.134@1.3421091 1.3421091 (380.1413, 2173.71)(381.145, 1001.05) 1 379.134 379.134@1.3421091 + 387.2498@1.3897731 1.3897731 (388.2555, 1871.95)(389.2602, 654.48)(370.24734, 4401.755)(371.2474, 651.02) 2 387.2498 387.2498@1.3897731 + 752.0578@1.3531104 1.3531104 (753.0651, 1729.76)(754.0692, 991.7) 1 752.0578 752.0578@1.3531104 + 330.2021@1.4241188 1.4241188 (331.2089, 4022.88)(332.2078, 1775.55)(333.2035, 1146.52)(353.193, 1207.14) 1 330.2021 330.2021@1.4241188 + 377.22@1.4361202 1.4361202 (378.2273, 1577.12)(379.243, 607.59)(380.23, 1003.42) 1 377.22 377.22@1.4361202 + 463.8069@1.4551225 1.4551225 (464.8141, 1578.52) 1 463.8069 463.8069@1.4551225 + 261.1119@1.51913 1.51913 (262.1165, 757.04)(244.1089, 6034.19) 1 261.1119 261.1119@1.51913 + 106.0781@1.5406305 1.5406305 (107.0855, 4374.2466)(124.11179, 6230.1665) 3 106.0781 106.0781@1.5406305 + 763.544@1.5552975 1.5552975 (764.5488, 1372.91)(765.5525, 1323.24)(781.577, 2622.83)(782.5796, 1278.95)(783.5892, 1071.18)(786.5312, 1036.84) 3 763.544 763.544@1.5552975 + 414.309@1.6532133 1.6532133 (415.31512, 1035.17)(397.3056, 7365.87)(398.30844, 1953.84)(399.3183, 1038.38) 2 414.309 414.309@1.6532133 + 177.0792@1.7131531 1.7131531 (178.0873, 1184.75)(160.0757, 6026.88)(161.0782, 942.28) 1 177.0792 177.0792@1.7131531 + 367.2206@1.7661594 1.7661594 (368.2279, 1880.11)(369.2294, 462.39) 1 367.2206 367.2206@1.7661594 + 1475.0469@1.8591703 1.8591703 (1476.0542, 949.8)(1477.0635, 813.69)(1478.0612, 733.6) 1 1475.0469 1475.0469@1.8591703 + 757.493@1.8771725 1.8771725 (758.5003, 990.91)(759.5024, 866.27) 1 757.493 757.493@1.8771725 + 709.4952@1.9191774 1.9191774 (710.5043, 917.65)(727.5283, 1381.86)(728.5319, 1368.26) 1 709.4952 709.4952@1.9191774 + 359.1392@1.9211776 1.9211776 (360.1465, 1255.47) 1 359.1392 359.1392@1.9211776 + 731.4733@1.9251779 1.9251779 (732.4806, 2077.71)(733.4886, 1197.45) 1 731.4733 731.4733@1.9251779 + 258.1087@1.9481807 1.9481807 (259.116, 4604.02)(260.1251, 1141.4) 1 258.1087 258.1087@1.9481807 + 263.0903@2.1432023 2.1432023 (264.0976, 1523.1) 1 263.0903 263.0903@2.1432023 + 665.9846@2.1572042 2.1572042 (666.9918, 1213.29) 1 665.9846 665.9846@2.1572042 + 718.5405@2.2422132 2.2422132 (719.5478, 1053.96)(720.5561, 778.29) 1 718.5405 718.5405@2.2422132 + 372.2548@2.4252312 2.4252312 (373.2621, 3056.43)(374.2614, 694.49) 1 372.2548 372.2548@2.4252312 + 372.2551@2.4792364 2.4792364 (373.2624, 2855.4)(374.2524, 703.91) 1 372.2551 372.2551@2.4792364 + 818.7316@2.653251 2.653251 (819.7388, 862.03) 1 818.7316 818.7316@2.653251 + 316.0109@2.7772596 2.7772596 (317.0182, 1951.26) 1 316.0109 316.0109@2.7772596 + 453.0078@2.862265 2.862265 (454.015, 963.2) 1 453.0078 453.0078@2.862265 + 134.0591@2.934269 2.934269 (135.0654, 778.31)(117.056, 1597.55) 1 134.0591 134.0591@2.934269 + 515.3318@2.9512699 2.9512699 (516.3391, 1272.47) 1 515.3318 515.3318@2.9512699 + 376.1391@3.0812755 3.0812755 (377.1463, 2442.68)(378.1487, 1040.67)(399.1287, 977.56) 1 376.1391 376.1391@3.0812755 + 819.5931@3.3922803 3.3922803 (820.6004, 1158.72)(821.6024, 913.52) 1 819.5931 819.5931@3.3922803 + 819.591@3.4652796 3.4652796 (820.5983, 1152.74) 1 819.591 819.591@3.4652796 + 551.3982@3.5682774 3.5682774 (552.4055, 1777.76) 1 551.3982 551.3982@3.5682774 + 819.0852@3.6109896 3.6109896 (820.0922, 1594.25) 2 819.0852 819.0852@3.6109896 + 585.4221@3.8045402 3.8045402 (586.4298, 2934.435)(587.4302, 1420.1951) 2 585.4221 585.4221@3.8045402 + 956.6818@3.8292642 3.8292642 (957.6891, 818.12)(958.6898, 849.89) 1 956.6818 956.6818@3.8292642 + 740.1978@3.8422632 3.8422632 (741.2051, 1043.43)(742.2094, 549.57) 1 740.1978 740.1978@3.8422632 + 225.0299@4.022247 4.022247 (226.0371, 1106.26)(248.0194, 798.49) 1 225.0299 225.0299@4.022247 + 395.271@4.2504663 4.2504663 (396.27426, 1951.6466)(397.2782, 519.97)(398.2828, 263.44) 3 395.271 395.271@4.2504663 + 366.3602@4.309208 4.309208 (367.3675, 3110.4)(368.3695, 985.62) 1 366.3602 366.3602@4.309208 + 338.3293@4.3502007 4.3502007 (339.3366, 6698.86)(340.3396, 1608.04) 1 338.3293 338.3293@4.3502007 + 387.2465@4.4418454 4.4418454 (388.25366, 3252.35)(389.25705, 755.635)(390.2489, 3905.73) 2 387.2465 387.2465@4.4418454 + 370.3555@4.4351854 4.4351854 (371.3628, 1984.03) 1 370.3555 370.3555@4.4351854 + 1467.332@4.599151 4.599151 (1468.3392, 1179.41) 1 1467.332 1467.332@4.599151 + 179.0797@4.6295147 4.6295147 (180.08716, 7026.66)(181.0972, 726.31)(182.0869, 1014.42)(202.0683, 1177.83) 2 179.0797 179.0797@4.6295147 + 903.5825@4.625314 4.625314 (904.58997, 20586.545) 2 903.5825 903.5825@4.625314 + 875.5516@4.650139 4.650139 (876.5589, 5879.06)(877.5617, 3016.09)(878.5617, 1391.47) 1 875.5516 875.5516@4.650139 + 888.5714@4.678132 4.678132 (889.578, 1928.62)(890.5801, 977.68)(906.6061, 1443.87) 1 888.5714 888.5714@4.678132 + 911.5573@4.6801314 4.6801314 (912.5646, 1193.45) 1 911.5573 911.5573@4.6801314 + 384.3711@4.7381167 4.7381167 (385.3784, 6588.54)(386.3814, 1923.1) 1 384.3711 384.3711@4.7381167 + 764.5178@4.8390894 4.8390894 (765.5251, 1340.0) 1 764.5178 764.5178@4.8390894 + 833.5226@5.3748965 5.3748965 (834.5298, 3787.07)(835.5359, 1747.28) 1 833.5226 833.5226@5.3748965 + 1291.3257@5.422329 5.422329 (1292.3296, 857.47)(1293.3308, 751.02)(1294.3275, 892.7)(1274.3236, 959.57)(1275.328, 895.49)(1276.325, 803.82) 2 1291.3257 1291.3257@5.422329 + 1222.8241@5.4288726 5.4288726 (1223.8314, 2266.41)(1224.8354, 2797.78) 1 1222.8241 1222.8241@5.4288726 + 817.0528@5.4368687 5.4368687 (818.0601, 5816.45) 1 817.0528 817.0528@5.4368687 + 168.0548@5.4408674 5.4408674 (169.0621, 4274.3) 1 168.0548 168.0548@5.4408674 + 1628.6073@5.4488635 5.4488635 (1629.6145, 595.92)(1630.6221, 716.81)(1631.6136, 612.44) 1 1628.6073 1628.6073@5.4488635 + 1210.3477@5.4968414 5.4968414 (1211.3549, 2858.75)(1212.3555, 1925.76) 1 1210.3477 1210.3477@5.4968414 + 1539.1185@5.505837 5.505837 (1540.1257, 14304.37)(1541.1298, 10697.41)(1542.14, 11583.96)(1543.1465, 7881.94) 1 1539.1185 1539.1185@5.505837 + 1201.3248@5.516832 5.516832 (1202.3322, 1476.65) 1 1201.3248 1201.3248@5.516832 + 734.5571@5.5398207 5.5398207 (735.5644, 1792.88) 1 734.5571 734.5571@5.5398207 + 258.067@5.563118 5.563118 (259.07468, 1689.7799) 3 258.067 258.067@5.563118 + 978.057@5.5768027 5.5768027 (979.0643, 1310.02)(980.0685, 1109.85) 1 978.057 978.057@5.5768027 + 1224.8417@5.592795 5.592795 (1225.849, 1052.49)(1226.8481, 848.5) 1 1224.8417 1224.8417@5.592795 + 1241.3315@5.6117854 5.6117854 (1242.3387, 919.88)(1243.3467, 690.68)(1244.3492, 688.01) 1 1241.3315 1241.3315@5.6117854 + 1551.6215@5.612785 5.612785 (1552.6287, 1792.89)(1553.6342, 1725.39)(1554.6383, 1021.58) 1 1551.6215 1551.6215@5.612785 + 828.0558@5.6347737 5.6347737 (829.0631, 1229.39)(830.0625, 874.5) 1 828.0558 828.0558@5.6347737 + 1201.3673@5.6427693 5.6427693 (1202.3746, 1680.36) 1 1201.3673 1201.3673@5.6427693 + 937.5424@5.6477666 5.6477666 (938.5497, 1067.27)(939.5616, 820.51) 1 937.5424 937.5424@5.6477666 + 821.5705@5.6537633 5.6537633 (822.5778, 2556.31)(823.5669, 1397.74)(824.5589, 25216.57) 1 821.5705 821.5705@5.6537633 + 1186.8606@5.8066807 5.8066807 (1187.8641, 1132.31)(1209.8555, 1230.64) 1 1186.8606 1186.8606@5.8066807 + 1280.2527@5.8126774 5.8126774 (1281.2599, 902.94) 1 1280.2527 1280.2527@5.8126774 + 90.9728@5.8306665 5.8306665 (91.9801, 5493.51) 1 90.9728 90.9728@5.8306665 + 971.5076@5.8306665 5.8306665 (972.5149, 1561.55)(973.5149, 930.69)(974.5199, 1295.67)(975.514, 420.73) 1 971.5076 971.5076@5.8306665 + 725.459@5.951595 5.951595 (726.4654, 2218.03)(727.4712, 1032.37)(748.4531, 892.62)(749.4473, 637.01)(750.4672, 2300.77)(751.4722, 1232.47)(752.4737, 1233.85) 1 725.459 725.459@5.951595 + 953.5218@5.9545927 5.9545927 (954.5291, 1298.24)(955.554, 717.37) 1 953.5218 953.5218@5.9545927 + 344.8918@6.1331644 6.1331644 (345.8969, 1070.75)(362.92575, 3956.025) 2 344.8918 344.8918@6.1331644 + 310.0999@6.203428 6.203428 (311.1071, 1054.5) 1 310.0999 310.0999@6.203428 + 841.5095@6.194277 6.194277 (842.518, 1100.165)(843.521, 730.61)(844.5334, 2462.74) 2 841.5095 841.5095@6.194277 + 648.4177@6.2463975 6.2463975 (649.425, 1653.32) 1 648.4177 648.4177@6.2463975 + 689.4267@6.3593135 6.3593135 (690.434, 3807.96)(691.4379, 1623.49) 1 689.4267 689.4267@6.3593135 + 720.4422@6.4198084 6.4198084 (721.4483, 1347.31)(722.4618, 767.33) 2 720.4422 720.4422@6.4198084 + 950.5188@6.419267 6.419267 (951.5261, 911.94)(952.5463, 521.41)(953.552, 860.39) 1 950.5188 950.5188@6.419267 + 703.4294@6.4232635 6.4232635 (704.4367, 1597.77)(705.4264, 779.93)(706.4308, 1246.18) 1 703.4294 703.4294@6.4232635 + 629.3677@6.4872127 6.4872127 (630.375, 1783.17)(631.3879, 1125.75)(632.3942, 422.4) 1 629.3677 629.3677@6.4872127 + 721.4189@6.5461645 6.5461645 (722.4261, 1538.92)(723.4293, 714.43)(724.4119, 811.65) 1 721.4189 721.4189@6.5461645 + 811.4601@6.637087 6.637087 (812.4674, 1410.19) 1 811.4601 811.4601@6.637087 + 741.429@6.706204 6.706204 (742.4325, 1471.12)(743.4464, 765.55)(759.4575, 878.49) 2 741.429 741.429@6.706204 + 731.4373@6.704756 6.704756 (732.44336, 3725.43)(754.4289, 2025.74)(755.431, 1346.29)(756.4375, 1369.455) 2 731.4373 731.4373@6.704756 + 626.3891@6.7049003 6.7049003 (627.3955, 7926.857)(628.4025, 3207.6934)(629.4016, 1422.55) 3 626.3891 626.3891@6.7049003 + 740.4304@6.6722717 6.6722717 (741.4387, 1661.7051)(742.437, 1389.26)(743.436, 880.56) 2 740.4304 740.4304@6.6722717 + 927.5337@6.7090235 6.7090235 (928.541, 884.88) 1 927.5337 927.5337@6.7090235 + 821.5085@6.726198 6.726198 (822.5111, 1553.1)(823.5018, 1590.08)(824.4876, 2111.94)(804.5058, 14567.78)(805.512, 5236.79)(806.5205, 8000.59) 2 821.5085 821.5085@6.726198 + 851.002@6.736449 6.736449 (852.01355, 2278.488)(853.0169, 1582.3401)(854.01514, 1041.9099) 5 851.002 851.002@6.736449 + 1150.6562@6.7391634 6.7391634 (1151.6602, 910.575)(1152.6647, 1002.705)(1153.6709, 1145.895)(1154.6711, 991.63)(1155.6624, 1135.46)(1133.6534, 24182.66)(1134.6571, 16935.16)(1135.6685, 20485.14)(1136.6729, 11599.3)(1137.6855, 8213.12)(1138.6924, 3910.1)(1139.6981, 4426.63)(1173.643, 923.54)(1174.6427, 747.67) 2 1150.6562 1150.6562@6.7391634 + 283.9973@6.901131 6.901131 (285.00406, 1874.38) 2 283.9973 283.9973@6.901131 + 538.3447@6.962783 6.962783 (539.352, 2317.42) 1 538.3447 538.3447@6.962783 + 638.3959@7.051897 7.051897 (639.3994, 749.26)(621.39325, 6163.9453)(622.39667, 1925.56)(623.3932, 738.31) 2 638.3959 638.3959@7.051897 + 83.037@7.174561 7.174561 (84.0443, 1649.8) 1 83.037 83.037@7.174561 + 623.3063@7.4085436 7.4085436 (624.3135, 4092.145)(625.31714, 1170.505)(626.3292, 2396.09) 2 623.3063 623.3063@7.4085436 + 611.3451@7.759844 7.759844 (612.353, 1125.56)(634.3339, 2130.63)(635.3351, 955.32) 1 611.3451 611.3451@7.759844 + 298.1027@0.70598143 0.70598143 (299.1099, 8379.58)(300.1142, 1317.13)(301.1133, 702.26) 1 298.1027 298.1027@0.70598143 + 317.87@0.7659799 0.7659799 (318.8773, 1985.44) 1 317.87 317.87@0.7659799 + 315.8731@0.76897985 0.76897985 (316.8804, 1722.95) 1 315.8731 315.8731@0.76897985 + 266.1057@0.79850525 0.79850525 (267.1114, 1056.605)(249.10254, 13919.115)(250.1073, 2675.68) 2 266.1057 266.1057@0.79850525 + 377.3497@0.88139033 0.88139033 (378.35718, 2524.29) 2 377.3497 377.3497@0.88139033 + 421.3759@0.93697494 0.93697494 (422.3832, 2818.66)(423.3867, 862.33) 1 421.3759 421.3759@0.93697494 + 968.2224@1.0089725 1.0089725 (969.2297, 1676.06)(970.2269, 1363.75)(971.2177, 920.63) 1 968.2224 968.2224@1.0089725 + 634.5362@1.0239722 1.0239722 (635.5432, 9782.62)(652.5745, 1109.54) 1 634.5362 634.5362@1.0239722 + 355.0629@1.0269719 1.0269719 (356.0702, 3642.04)(357.0682, 2006.77) 1 355.0629 355.0629@1.0269719 + 544.4878@1.0349717 1.0349717 (545.4951, 2298.91)(546.5065, 1212.58) 1 544.4878 544.4878@1.0349717 + 569.3575@1.054971 1.054971 (570.3689, 1091.37)(552.3538, 5282.23) 1 569.3575 569.3575@1.054971 + 464.3809@1.0649707 1.0649707 (465.3882, 1992.57) 1 464.3809 464.3809@1.0649707 + 310.2873@1.0633063 1.0633063 (311.29376, 1780.005)(312.29102, 800.27) 2 310.2873 310.2873@1.0633063 + 893.8012@1.0749704 1.0749704 (894.8084, 1510.08)(895.8019, 820.38) 1 893.8012 893.8012@1.0749704 + 428.364@1.0799702 1.0799702 (429.3712, 8451.03) 1 428.364 428.364@1.0799702 + 438.3188@1.0819701 1.0819701 (439.326, 4540.11)(440.3285, 3602.87) 1 438.3188 438.3188@1.0819701 + 246.0796@1.0869699 1.0869699 (247.0868, 4033.55) 1 246.0796 246.0796@1.0869699 + 746.6967@1.0999694 1.0999694 (747.704, 1949.43)(748.6869, 1679.15) 1 746.6967 746.6967@1.0999694 + 761.596@1.0999694 1.0999694 (762.6033, 2891.38)(763.6066, 929.99)(764.6152, 1345.34) 1 761.596 761.596@1.0999694 + 262.0742@1.111969 1.111969 (263.0814, 96005.52)(264.0847, 17515.4)(265.0946, 2024.49) 1 262.0742 262.0742@1.111969 + 261.0669@1.1139688 1.1139688 (262.0741, 5522.78)(284.0565, 1468.86) 1 261.0669 261.0669@1.1139688 + 568.4144@1.1139688 1.1139688 (569.4217, 1807.26) 1 568.4144 568.4144@1.1139688 + 676.2807@1.1179688 1.1179688 (677.2879, 3883.29)(678.2896, 1658.5) 1 676.2807 676.2807@1.1179688 + 614.1744@1.1209687 1.1209687 (615.1817, 1188.2)(616.1793, 700.71) 1 614.1744 614.1744@1.1209687 + 527.4144@1.1258146 1.1258146 (528.42285, 3806.315)(529.4185, 2308.59)(530.4129, 2232.81) 2 527.4144 527.4144@1.1258146 + 822.5246@1.133297 1.133297 (823.5283, 946.22504)(824.53925, 676.92004) 2 822.5246 822.5246@1.133297 + 472.3526@1.137968 1.137968 (473.3599, 3105.92) 1 472.3526 472.3526@1.137968 + 352.205@1.1439679 1.1439679 (353.2122, 4614.18)(354.2202, 2752.4) 1 352.205 352.205@1.1439679 + 771.513@1.1158541 1.1158541 (772.51294, 1116.715)(773.539, 718.46)(774.533, 981.0)(754.5084, 3195.03)(755.513, 1595.33)(756.5265, 2724.55) 2 771.513 771.513@1.1158541 + 358.0997@1.1809663 1.1809663 (359.107, 1489.92) 1 358.0997 358.0997@1.1809663 + 473.2292@1.1977856 1.1977856 (474.2348, 2255.0352)(475.2391, 1547.26) 2 473.2292 473.2292@1.1977856 + 441.2358@1.1548053 1.1548053 (442.24518, 6174.465) 2 441.2358 441.2358@1.1548053 + 88.0526@1.2189647 1.2189647 (89.0598, 6114.41)(90.0627, 721.12) 1 88.0526 88.0526@1.2189647 + 343.1477@1.2339641 1.2339641 (344.1549, 4346.22) 1 343.1477 343.1477@1.2339641 + 514.3165@1.2499635 1.2499635 (515.3266, 1170.16)(497.3106, 1054.02)(532.3504, 10425.85)(533.3508, 3935.05)(534.358, 1860.51) 1 514.3165 514.3165@1.2499635 + 647.4179@1.2569631 1.2569631 (648.4252, 1252.6) 1 647.4179 647.4179@1.2569631 + 328.1876@1.2566947 1.2566947 (329.19644, 5811.72)(330.19626, 2435.5535)(331.188, 2484.01) 3 328.1876 328.1876@1.2566947 + 539.8944@1.2629629 1.2629629 (1080.7977, 2200.96)(1081.801, 1478.85)(1082.7981, 1411.46)(540.8993, 932.51) 1 539.8944 539.8944@1.2629629 + 192.1127@1.2909617 1.2909617 (193.12, 2091.15) 1 192.1127 192.1127@1.2909617 + 410.1854@1.3359597 1.3359597 (411.1924, 1784.76)(412.1988, 735.1)(433.1758, 601.04) 1 410.1854 410.1854@1.3359597 + 327.2208@1.3689581 1.3689581 (328.228, 4108.12)(329.2339, 1806.12) 1 327.2208 327.2208@1.3689581 + 744.5531@1.4307388 1.4307388 (745.5608, 1143.895)(746.5597, 1092.865)(747.5711, 809.09) 2 744.5531 744.5531@1.4307388 + 403.2226@1.4507066 1.4507066 (404.23004, 2055.045)(405.22864, 987.91504)(406.2229, 870.23) 2 403.2226 403.2226@1.4507066 + 408.2954@1.4572053 1.4572053 (409.3023, 2476.595)(410.307, 1404.93)(426.329, 2788.6) 2 408.2954 408.2954@1.4572053 + 519.3888@1.4939518 1.4939518 (520.3961, 2523.45)(521.3871, 864.21)(522.3773, 998.05) 1 519.3888 519.3888@1.4939518 + 578.4318@1.5349497 1.5349497 (579.4391, 1724.87) 1 578.4318 578.4318@1.5349497 + 375.1088@1.5761061 1.5761061 (376.11713, 1676.32) 2 375.1088 375.1088@1.5761061 + 416.1105@1.599946 1.599946 (417.1178, 1352.02) 1 416.1105 416.1105@1.599946 + 360.3145@1.6240625 1.6240625 (361.32175, 1132.65) 2 360.3145 360.3145@1.6240625 + 411.2458@1.6989402 1.6989402 (412.2531, 1416.1) 1 411.2458 411.2458@1.6989402 + 106.0631@1.7315903 1.7315903 (107.071, 2035.725)(89.05965, 19446.14)(90.06105, 1193.44) 2 106.0631 106.0631@1.7315903 + 450.3001@1.7509369 1.7509369 (451.3074, 1086.98) 1 450.3001 450.3001@1.7509369 + 203.0794@2.1069105 2.1069105 (204.0867, 796.38)(186.0761, 6796.25)(187.0815, 984.42) 1 203.0794 203.0794@2.1069105 + 245.9013@2.213581 2.213581 (246.90765, 1384.7251)(263.9349, 1480.86)(268.8924, 792.57) 2 245.9013 245.9013@2.213581 + 308.0533@2.5338688 2.5338688 (309.0606, 1142.57) 1 308.0533 308.0533@2.5338688 + 709.0656@2.7318456 2.7318456 (710.0729, 1074.0) 1 709.0656 709.0656@2.7318456 + 425.1198@2.8078358 2.8078358 (426.1271, 1181.08) 1 425.1198 425.1198@2.8078358 + 502.979@2.8248336 2.8248336 (503.9863, 1207.96) 1 502.979 502.979@2.8248336 + 237.0867@3.0018091 3.0018091 (238.094, 4795.29)(239.0965, 1051.72) 1 237.0867 237.0867@3.0018091 + 100.0526@3.147787 3.147787 (101.0591, 1268.22)(83.0496, 1958.75) 1 100.0526 100.0526@3.147787 + 271.0895@3.1591206 3.1591206 (272.09665, 1609.4299)(273.1037, 592.81) 2 271.0895 271.0895@3.1591206 + 514.1826@3.2117767 3.2117767 (515.1898, 1119.01) 1 514.1826 514.1826@3.2117767 + 210.0521@3.4417372 3.4417372 (211.0594, 3679.32) 1 210.0521 210.0521@3.4417372 + 848.6144@3.6137047 3.6137047 (849.6217, 1232.56) 1 848.6144 848.6144@3.6137047 + 570.7452@3.6276066 3.6276066 (571.75275, 1492.36) 3 570.7452 570.7452@3.6276066 + 629.1218@3.6836905 3.6836905 (630.1291, 1643.65) 1 629.1218 629.1218@3.6836905 + 305.1505@3.8246608 3.8246608 (306.1578, 9091.81)(307.161, 1626.36)(308.1562, 3101.85) 1 305.1505 305.1505@3.8246608 + 682.8282@3.8476558 3.8476558 (683.8355, 1365.02) 1 682.8282 682.8282@3.8476558 + 409.3914@4.0156174 4.0156174 (410.3987, 1409.73) 1 409.3914 409.3914@4.0156174 + 897.6028@4.0875998 4.0875998 (898.6101, 747.25)(899.612, 852.57) 1 897.6028 897.6028@4.0875998 + 898.6064@4.158472 4.158472 (899.61365, 1084.72) 2 898.6064 898.6064@4.158472 + 382.3663@4.3804564 4.3804564 (383.37314, 1272.61) 3 382.3663 382.3663@4.3804564 + 359.1052@4.3945203 4.3945203 (360.1125, 2984.52)(361.1169, 1106.01) 1 359.1052 359.1052@4.3945203 + 561.7241@4.6814365 4.6814365 (562.7313, 1589.7) 1 561.7241 561.7241@4.6814365 + 705.4337@4.7194242 4.7194242 (706.4409, 2162.09) 1 705.4337 705.4337@4.7194242 + 270.1728@4.8823714 4.8823714 (271.1801, 5809.43)(272.1843, 2204.08) 1 270.1728 270.1728@4.8823714 + 659.4775@4.9613447 4.9613447 (660.4848, 17143.06)(661.4867, 1848.08) 1 659.4775 659.4775@4.9613447 + 666.5757@5.1072936 5.1072936 (667.583, 1370.37) 1 666.5757 666.5757@5.1072936 + 712.5037@5.276231 5.276231 (713.5109, 1171.29) 1 712.5037 712.5037@5.276231 + 928.5018@5.401182 5.401182 (929.509, 1009.1)(930.5075, 731.98)(931.5307, 862.91) 1 928.5018 928.5018@5.401182 + 888.5271@5.4331694 5.4331694 (889.5344, 2728.45)(890.5506, 1959.14) 1 888.5271 888.5271@5.4331694 + 905.6575@5.441166 5.441166 (906.6648, 968.79)(907.6433, 885.42)(908.6419, 797.77) 1 905.6575 905.6575@5.441166 + 1253.8263@5.445691 5.445691 (1254.8348, 1662.9299)(1255.8342, 1522.935)(1256.8359, 1230.8) 2 1253.8263 1253.8263@5.445691 + 837.6016@5.446164 5.446164 (838.6089, 56897.82)(839.6115, 26566.28) 1 837.6016 837.6016@5.446164 + 992.0703@5.5811076 5.5811076 (993.0776, 816.47)(994.0832, 908.83) 1 992.0703 992.0703@5.5811076 + 1258.3357@5.603614 5.603614 (1259.346, 987.955)(1260.3519, 1162.0)(1261.3597, 1892.96)(1262.3657, 1124.21)(1263.3654, 564.88) 2 1258.3357 1258.3357@5.603614 + 783.0703@5.616093 5.616093 (784.0776, 5459.68) 1 783.0703 783.0703@5.616093 + 1198.3531@5.626342 5.626342 (1199.3608, 1521.845)(1200.3671, 1746.71)(1201.3749, 1969.4851)(1202.3668, 1139.59)(1221.353, 935.94)(1222.3579, 624.4) 2 1198.3531 1198.3531@5.626342 + 899.5583@5.6340857 5.6340857 (900.5656, 1522.41)(901.5658, 1035.77)(902.5734, 999.82)(903.5865, 334.44) 1 899.5583 899.5583@5.6340857 + 822.6302@5.6670713 5.6670713 (823.6375, 1305.12) 1 822.6302 822.6302@5.6670713 + 814.5662@5.8100076 5.8100076 (815.5734, 2055.44)(816.5844, 1946.56)(817.5854, 840.32) 1 814.5662 814.5662@5.8100076 + 897.0495@5.811007 5.811007 (898.0568, 1525.11) 1 897.0495 897.0495@5.811007 + 1110.2821@5.817004 5.817004 (1111.2893, 1372.6) 1 1110.2821 1110.2821@5.817004 + 1049.3027@5.830998 5.830998 (1050.31, 1112.25) 1 1049.3027 1049.3027@5.830998 + 570.7314@5.836995 5.836995 (571.7386, 795.0) 1 570.7314 570.7314@5.836995 + 1212.2657@5.836995 5.836995 (1213.273, 1321.71) 1 1212.2657 1212.2657@5.836995 + 847.6305@5.9133635 5.9133635 (848.6367, 1094.97) 2 847.6305 847.6305@5.9133635 + 533.3845@5.941946 5.941946 (534.3917, 1130.01)(535.3996, 754.04) 1 533.3845 533.3845@5.941946 + 884.504@5.9489975 5.9489975 (885.5115, 863.735)(886.5248, 886.0)(887.5349, 854.82) 2 884.504 884.504@5.9489975 + 840.5687@5.8881965 5.8881965 (841.5691, 2722.19)(842.5761, 4293.12)(843.5739, 5625.91)(863.5365, 863.42) 2 840.5687 840.5687@5.8881965 + 780.5474@5.9539404 5.9539404 (781.5546, 5306.11) 1 780.5474 780.5474@5.9539404 + 905.5645@6.1618385 6.1618385 (906.5718, 990.42)(907.5752, 887.04)(908.5454, 1053.58) 1 905.5645 905.5645@6.1618385 + 859.5964@6.1668363 6.1668363 (860.6037, 852.21) 1 859.5964 859.5964@6.1668363 + 808.5781@6.167835 6.167835 (809.5854, 20014.29)(810.5948, 12165.16)(811.5998, 4528.0) 1 808.5781 808.5781@6.167835 + 482.0677@6.1758313 6.1758313 (483.073, 1159.72)(465.0649, 6068.01)(466.0668, 1041.31) 1 482.0677 482.0677@6.1758313 + 86.0189@6.1758313 6.1758313 (87.0262, 964.89)(104.0528, 21578.13)(105.0575, 1119.53)(106.0498, 1460.18) 1 86.0189 86.0189@6.1758313 + 517.1237@6.1758313 6.1758313 (518.1309, 8249.45)(519.1345, 1737.8)(520.1301, 687.26) 1 517.1237 517.1237@6.1758313 + 716.4436@6.303765 6.303765 (717.4509, 2535.88)(718.4342, 2329.13)(719.4417, 1185.55) 1 716.4436 716.4436@6.303765 + 835.5942@6.3587356 6.3587356 (836.6015, 3871.66)(837.6042, 1964.2)(838.6158, 698.25) 1 835.5942 835.5942@6.3587356 + 191.1268@6.583611 6.583611 (192.1356, 992.59)(174.1234, 9515.75) 1 191.1268 191.1268@6.583611 + 704.415@6.6325827 6.6325827 (705.4223, 1466.05)(706.4307, 712.87) 1 704.415 704.415@6.6325827 + 705.372@6.6485734 6.6485734 (706.3793, 1502.56) 1 705.372 705.372@6.6485734 + 153.0189@6.649573 6.649573 (154.0263, 3691.3)(176.0067, 577.46) 1 153.0189 153.0189@6.649573 + 437.1118@6.649573 6.649573 (438.1191, 4497.74)(439.1245, 790.05) 1 437.1118 437.1118@6.649573 + 700.3434@6.661566 6.661566 (701.3507, 1343.62)(702.3555, 660.26) 1 700.3434 700.3434@6.661566 + 364.2697@6.668562 6.668562 (365.277, 1604.64) 1 364.2697 364.2697@6.668562 + 750.3399@6.7035413 6.7035413 (751.3471, 687.16)(752.3557, 722.69) 1 750.3399 750.3399@6.7035413 + 829.9614@6.7085385 6.7085385 (830.9687, 1183.78)(831.97, 878.86) 1 829.9614 829.9614@6.7085385 + 1037.6494@6.719532 6.719532 (1038.6567, 17937.87)(1039.6693, 34643.24)(1040.6732, 18950.77) 1 1037.6494 1037.6494@6.719532 + 1133.15@6.7133894 6.7133894 (1134.1587, 3227.635)(1135.1746, 2296.905)(1136.1764, 2212.2)(1116.1537, 653.37)(1117.1646, 974.01)(1118.167, 934.0) 2 1133.15 1133.15@6.7133894 + 1147.6613@6.7415185 6.7415185 (1148.6685, 1108.33)(1149.6633, 1075.95)(1150.6699, 924.7) 1 1147.6613 1147.6613@6.7415185 + 505.3159@6.7515125 6.7515125 (506.3232, 1747.07) 1 505.3159 505.3159@6.7515125 + 870.0329@6.762506 6.762506 (871.0402, 2778.19) 1 870.0329 870.0329@6.762506 + 868.5236@6.7714443 6.7714443 (869.52783, 2740.96) 2 868.5236 868.5236@6.7714443 + 1058.6387@6.8184724 6.8184724 (1059.646, 3929.93)(1060.6503, 3212.92) 1 1058.6387 1058.6387@6.8184724 + 175.0225@6.873128 6.873128 (176.03009, 1194.61) 2 175.0225 175.0225@6.873128 + 134.0365@7.053324 7.053324 (135.0438, 916.22) 1 134.0365 134.0365@7.053324 + 201.202@7.104291 7.104291 (202.2093, 1121.28) 1 201.202 201.202@7.104291 + 165.077@7.111286 7.111286 (166.0842, 7054.24)(167.0852, 1443.03) 1 165.077 165.077@7.111286 + 590.3025@7.1352706 7.1352706 (591.3098, 1388.07)(592.3224, 634.62) 1 590.3025 590.3025@7.1352706 + 139.0746@7.6509047 7.6509047 (140.0793, 1846.3)(122.0714, 26532.2)(123.0778, 2292.82) 1 139.0746 139.0746@7.6509047 + 816.2496@1.0107648 1.0107648 (817.2576, 911.55)(799.2481, 12146.35)(800.2486, 8677.42)(801.2472, 7778.35)(839.2341, 10108.78) 1 816.2496 816.2496@1.0107648 + 488.0475@1.0277592 1.0277592 (489.0548, 1226.72) 1 488.0475 488.0475@1.0277592 + 579.1177@1.0297585 1.0297585 (580.125, 1706.76)(581.1223, 881.32) 1 579.1177 579.1177@1.0297585 + 557.1655@1.0427035 1.0427035 (558.1727, 3957.105)(559.1727, 1358.045) 2 557.1655 557.1655@1.0427035 + 1217.3564@1.0587488 1.0587488 (1218.3638, 1383.25)(1219.3658, 1476.85) 1 1217.3564 1217.3564@1.0587488 + 805.4443@1.0637472 1.0637472 (806.4516, 757.14)(807.4558, 1084.63) 1 805.4443 805.4443@1.0637472 + 921.2851@1.0657464 1.0657464 (922.2924, 1481.98)(923.2894, 1116.41) 1 921.2851 921.2851@1.0657464 + 580.404@1.0767428 1.0767428 (581.4109, 2257.81)(563.401, 5924.39)(564.3881, 5038.33)(565.4079, 4255.17)(598.4378, 3458.45) 1 580.404 580.404@1.0767428 + 572.3691@1.0777423 1.0777423 (573.3763, 3172.05) 1 572.3691 572.3691@1.0777423 + 633.3747@1.0797418 1.0797418 (634.382, 2195.85)(635.3825, 1372.46)(636.3899, 1738.63) 1 633.3747 633.3747@1.0797418 + 618.4771@1.0817411 1.0817411 (619.4844, 2511.21)(620.4865, 1719.92)(621.4984, 1383.25) 1 618.4771 618.4771@1.0817411 + 534.3925@1.0817411 1.0817411 (535.4015, 5853.77)(517.3864, 5335.61) 1 534.3925 534.3925@1.0817411 + 621.303@1.0857396 1.0857396 (622.3102, 1202.8) 1 621.303 621.303@1.0857396 + 565.3975@1.0857396 1.0857396 (566.4066, 3723.52)(588.3858, 4531.24) 1 565.3975 565.3975@1.0857396 + 549.3647@1.0877391 1.0877391 (550.372, 4339.7)(551.3584, 2080.58) 1 549.3647 549.3647@1.0877391 + 361.1768@1.1208429 1.1208429 (362.18384, 2207.2366)(363.1766, 1101.92)(379.2111, 2234.92) 3 361.1768 361.1768@1.1208429 + 382.1988@1.116729 1.116729 (383.2061, 4401.42)(384.2036, 1788.08) 1 382.1988 382.1988@1.116729 + 390.2026@1.1229131 1.1229131 (391.2107, 13353.825)(373.1992, 5337.34)(374.2014, 2450.37)(408.2397, 4671.92) 2 390.2026 390.2026@1.1229131 + 454.184@1.1257259 1.1257259 (455.1912, 1988.06) 1 454.184 454.184@1.1257259 + 672.5183@1.1397209 1.1397209 (673.5256, 1974.01)(674.5404, 1698.44) 1 672.5183 672.5183@1.1397209 + 84.0939@1.1452045 1.1452045 (85.1008, 1202.725) 2 84.0939 84.0939@1.1452045 + 751.4454@1.1517167 1.1517167 (752.4527, 859.56) 1 751.4454 751.4454@1.1517167 + 391.2216@1.1777074 1.1777074 (392.2288, 10688.0)(393.2275, 6352.71) 1 391.2216 391.2216@1.1777074 + 234.1973@1.1817061 1.1817061 (235.2046, 2157.62) 1 234.1973 234.1973@1.1817061 + 349.2245@1.1967007 1.1967007 (350.2318, 6242.43) 1 349.2245 349.2245@1.1967007 + 451.2436@1.1996996 1.1996996 (452.2489, 2780.43)(474.2333, 7251.33)(475.2375, 1593.43) 1 451.2436 451.2436@1.1996996 + 410.2357@1.2076967 1.2076967 (411.2429, 4778.34) 1 410.2357 410.2357@1.2076967 + 314.1369@1.2156937 1.2156937 (315.1476, 1620.18)(297.1331, 26213.02)(298.1367, 4736.43)(332.1731, 2766.72)(333.1683, 864.49) 1 314.1369 314.1369@1.2156937 + 1072.304@1.2196923 1.2196923 (1073.3113, 962.91)(1074.3118, 906.15) 1 1072.304 1072.304@1.2196923 + 451.2436@1.2506809 1.2506809 (452.2504, 2396.91)(474.233, 9167.92)(475.2387, 1645.03) 1 451.2436 451.2436@1.2506809 + 502.3697@1.2566787 1.2566787 (503.3769, 8049.31)(504.3724, 2614.46)(505.3871, 2316.0) 1 502.3697 502.3697@1.2566787 + 302.1147@1.2606772 1.2606772 (303.122, 2211.52) 1 302.1147 302.1147@1.2606772 + 450.3077@1.2606772 1.2606772 (451.315, 2199.98) 1 450.3077 450.3077@1.2606772 + 1590.4265@1.2876672 1.2876672 (1591.4338, 775.84)(1592.4364, 744.14)(1593.4333, 741.4) 1 1590.4265 1590.4265@1.2876672 + 405.2711@1.3826308 1.3826308 (406.2784, 1388.87)(407.2798, 475.25) 1 405.2711 405.2711@1.3826308 + 234.1614@1.4436067 1.4436067 (235.1687, 6288.56)(236.1664, 1550.84) 1 234.1614 234.1614@1.4436067 + 388.2613@1.5595597 1.5595597 (389.2686, 1584.47)(390.2822, 920.68) 1 388.2613 388.2613@1.5595597 + 1390.3925@1.5735539 1.5735539 (1391.3997, 823.56)(1392.3975, 1023.84)(1393.3964, 1078.68)(1394.3976, 754.07) 1 1390.3925 1390.3925@1.5735539 + 1169.3345@1.5775522 1.5775522 (1170.3418, 2069.76)(1171.3411, 2154.01)(1172.3391, 1313.07) 1 1169.3345 1169.3345@1.5775522 + 390.2058@1.5795515 1.5795515 (391.2131, 6551.72)(392.2155, 921.09)(393.223, 2167.26) 1 390.2058 390.2058@1.5795515 + 234.1613@1.5865486 1.5865486 (235.1685, 4116.07)(236.1721, 944.65) 1 234.1613 234.1613@1.5865486 + 110.0526@1.5885477 1.5885477 (111.0598, 9296.49) 1 110.0526 110.0526@1.5885477 + 224.1055@1.864429 1.864429 (225.1139, 2011.24)(247.0937, 3511.31) 1 224.1055 224.1055@1.864429 + 246.1221@1.9044112 1.9044112 (247.1297, 2160.52)(269.1111, 3753.9)(270.1136, 718.46)(271.1154, 764.2) 1 246.1221 246.1221@1.9044112 + 876.2422@2.108319 2.108319 (877.2495, 2079.27)(878.2474, 1314.99) 1 876.2422 876.2422@2.108319 + 1025.2793@2.1103182 2.1103182 (1026.2866, 2050.16)(1027.2836, 1310.82) 1 1025.2793 1025.2793@2.1103182 + 1244.3374@2.1150618 2.1150618 (1245.3448, 1842.98)(1246.343, 1850.7549)(1247.3402, 1850.31)(1248.3411, 1008.705)(1249.34, 811.81) 2 1244.3374 1244.3374@2.1150618 + 1022.2853@2.1163156 2.1163156 (1023.2926, 2853.8)(1024.29, 2660.89)(1025.2844, 2243.28) 1 1022.2853 1022.2853@2.1163156 + 1248.3246@2.7440248 2.7440248 (1249.3319, 1141.52)(1250.3313, 1219.99)(1251.3295, 1413.68) 1 1248.3246 1248.3246@2.7440248 + 1174.3054@2.7480233 2.7480233 (1175.3127, 1397.73)(1176.3134, 1386.88)(1177.3123, 1515.48)(1178.3143, 858.6) 1 1174.3054 1174.3054@2.7480233 + 571.161@2.8609715 2.8609715 (572.1683, 967.18) 1 571.161 571.161@2.8609715 + 212.0902@3.5636742 3.5636742 (213.0974, 4251.47) 1 212.0902 212.0902@3.5636742 + 242.0739@4.093496 4.093496 (243.0812, 1611.3) 1 242.0739 242.0739@4.093496 + 873.5723@4.627592 4.627592 (874.5796, 1866.62)(875.58276, 1154.895) 2 873.5723 873.5723@4.627592 + 264.0439@4.7733607 4.7733607 (265.0512, 1931.97) 1 264.0439 264.0439@4.7733607 + 398.2716@5.426365 5.426365 (399.2789, 1447.62) 1 398.2716 398.2716@5.426365 + 961.5994@5.443367 5.443367 (962.6066, 1837.75) 1 961.5994 961.5994@5.443367 + 953.6673@5.4453673 5.4453673 (954.6745, 1161.47)(955.6705, 970.87) 1 953.6673 953.6673@5.4453673 + 976.5378@5.4473677 5.4473677 (977.545, 1168.37)(978.5522, 856.83)(979.5525, 918.62) 1 976.5378 976.5378@5.4473677 + 420.8009@5.4473677 5.4473677 (421.8082, 2331.93) 1 420.8009 420.8009@5.4473677 + 790.5556@5.4596877 5.4596877 (791.56494, 210545.17)(792.568, 266312.88)(793.5724, 64372.16)(794.5762, 14764.51)(795.58, 2463.69) 4 790.5556 790.5556@5.4596877 + 943.538@5.503376 5.503376 (944.5453, 3104.91)(945.5487, 855.67) 1 943.538 943.538@5.503376 + 945.599@5.507376 5.507376 (946.6062, 1354.35)(947.6082, 620.66)(948.6229, 836.23) 1 945.599 945.599@5.507376 + 633.3985@5.511377 5.511377 (634.4058, 1282.39)(635.4117, 241.24)(636.3855, 363.27) 1 633.3985 633.3985@5.511377 + 995.5395@5.5423822 5.5423822 (996.5468, 1298.16)(997.5759, 1058.4) 1 995.5395 995.5395@5.5423822 + 1014.54@5.595392 5.595392 (1015.5472, 680.9)(1016.5268, 711.11) 1 1014.54 1014.54@5.595392 + 876.6359@5.6083946 5.6083946 (877.6432, 1525.78)(878.6491, 1302.32) 1 876.6359 876.6359@5.6083946 + 736.5194@5.615396 5.615396 (737.5267, 986.32) 1 736.5194 736.5194@5.615396 + 750.488@5.692413 5.692413 (751.4948, 9955.5)(752.4966, 3207.37)(753.4931, 1007.71)(773.4797, 2091.01)(774.4866, 1088.75) 1 750.488 750.488@5.692413 + 481.3172@5.708417 5.708417 (482.3244, 1707.2) 1 481.3172 481.3172@5.708417 + 775.4971@5.8164454 5.8164454 (776.5044, 1471.63)(777.5099, 1112.81) 1 775.4971 775.4971@5.8164454 + 772.4651@5.8164454 5.8164454 (773.4723, 1165.44)(774.4801, 838.02) 1 772.4651 772.4651@5.8164454 + 697.3976@5.8149986 5.8149986 (698.40247, 2670.67)(699.4046, 1342.785)(700.4146, 4476.17)(701.4184, 1476.58)(702.4292, 1906.0) 2 697.3976 697.3976@5.8149986 + 807.3933@5.827449 5.827449 (808.4006, 1995.41)(809.41, 1400.1) 1 807.3933 807.3933@5.827449 + 877.0628@5.8314505 5.8314505 (878.0701, 1421.17)(879.0533, 1290.79) 1 877.0628 877.0628@5.8314505 + 527.2548@5.8344507 5.8344507 (528.2621, 1160.33) 1 527.2548 527.2548@5.8344507 + 1014.5273@5.835451 5.835451 (1015.5346, 1959.13)(1016.5274, 1883.87)(1017.5252, 865.99) 1 1014.5273 1014.5273@5.835451 + 304.1501@5.835451 5.835451 (305.1573, 2406.68)(306.1603, 580.72) 1 304.1501 304.1501@5.835451 + 979.5384@5.8364515 5.8364515 (980.5456, 2441.26)(981.5416, 1101.32)(982.5556, 3062.75)(983.5551, 1773.43) 1 979.5384 979.5384@5.8364515 + 619.3464@5.8364515 5.8364515 (620.3539, 778.04)(602.3432, 5324.15)(603.3465, 2353.18)(604.3491, 764.86) 1 619.3464 619.3464@5.8364515 + 1003.5016@5.837452 5.837452 (1004.5089, 1369.01)(1005.5111, 1030.87)(1006.5179, 1304.85)(1007.514, 406.72)(1008.5253, 1353.27) 1 1003.5016 1003.5016@5.837452 + 447.7751@5.8384523 5.8384523 (448.7824, 1286.37) 1 447.7751 447.7751@5.8384523 + 852.5899@5.8754635 5.8754635 (853.5971, 5846.05)(854.5954, 2821.61) 1 852.5899 852.5899@5.8754635 + 662.3391@5.9384847 5.9384847 (663.3464, 1436.72)(664.3428, 920.42) 1 662.3391 662.3391@5.9384847 + 844.6489@6.3156495 6.3156495 (845.6562, 1284.7)(846.6646, 1115.1) 1 844.6489 844.6489@6.3156495 + 753.4122@6.436718 6.436718 (754.4195, 2738.04)(755.422, 1230.59)(756.425, 520.87) 1 753.4122 753.4122@6.436718 + 615.3508@6.507761 6.507761 (616.3581, 26344.34)(617.3622, 7992.57) 1 615.3508 615.3508@6.507761 + 923.5695@6.5497885 6.5497885 (924.5767, 968.37)(925.5664, 520.21) 1 923.5695 923.5695@6.5497885 + 693.401@6.5517898 6.5517898 (694.4083, 2829.54)(695.3949, 1690.75)(696.4082, 1756.94) 1 693.401 693.401@6.5517898 + 602.3388@6.5557923 6.5557923 (603.3461, 6770.57)(604.3578, 2198.16)(605.3614, 1171.8) 1 602.3388 602.3388@6.5557923 + 806.4716@6.577807 6.577807 (807.4789, 917.56)(808.4646, 585.95) 1 806.4716 806.4716@6.577807 + 947.5664@6.5958195 6.5958195 (948.5736, 1007.37) 1 947.5664 947.5664@6.5958195 + 813.4415@6.6498566 6.6498566 (814.4488, 1394.31)(815.4381, 727.3)(816.4399, 1206.98) 1 813.4415 813.4415@6.6498566 + 601.4083@6.658863 6.658863 (602.4156, 3663.29)(603.4194, 1286.81)(604.427, 1116.43) 1 601.4083 601.4083@6.658863 + 607.4452@6.7109013 6.7109013 (608.4525, 5014.33)(609.4538, 2279.74)(610.455, 5773.19)(611.457, 2144.89) 1 607.4452 607.4452@6.7109013 + 882.5234@6.7289147 6.7289147 (883.5307, 1271.21)(884.527, 1297.6)(885.5073, 433.13) 1 882.5234 882.5234@6.7289147 + 1131.7103@6.7579365 6.7579365 (1132.7166, 2065.35)(1154.7003, 1871.34) 1 1131.7103 1131.7103@6.7579365 + 609.3737@6.7869596 6.7869596 (610.381, 32345.5)(611.3892, 11076.42)(612.3897, 3563.68)(613.3881, 941.42) 1 609.3737 609.3737@6.7869596 + 662.4261@6.7999697 6.7999697 (663.4334, 1514.04)(664.4212, 1264.2) 1 662.4261 662.4261@6.7999697 + 1041.1418@6.840288 6.840288 (1042.1497, 3798.5498)(1043.1414, 3710.7349)(1044.1389, 1988.34) 2 1041.1418 1041.1418@6.840288 + 611.3862@6.875031 6.875031 (612.3935, 10116.17)(613.3949, 2233.24) 1 611.3862 611.3862@6.875031 + 664.2754@6.8910446 6.8910446 (665.2827, 2046.29) 1 664.2754 664.2754@6.8910446 + 317.1978@6.8920455 6.8920455 (635.4023, 1569.11)(318.2062, 840.66) 1 317.1978 317.1978@6.8920455 + 733.4182@6.918068 6.918068 (734.4255, 2973.41)(735.4281, 1560.07) 1 733.4182 733.4182@6.918068 + 647.2426@7.0121818 7.0121818 (648.2504, 2051.925)(649.2542, 848.5)(650.2503, 1239.41) 2 647.2426 647.2426@7.0121818 + 719.4037@7.044182 7.044182 (720.411, 2104.13)(721.4201, 910.91)(722.4303, 589.79) 1 719.4037 719.4037@7.044182 + 525.3067@7.132267 7.132267 (526.3175, 682.39)(508.3028, 1823.29)(509.309, 722.97) 1 525.3067 525.3067@7.132267 + 754.4148@7.13527 7.13527 (755.4221, 1518.68) 1 754.4148 754.4148@7.13527 + 848.5277@7.137272 7.137272 (849.535, 1458.4)(850.5438, 802.08) 1 848.5277 848.5277@7.137272 + 667.277@7.14528 7.14528 (668.2843, 2228.05)(669.2906, 768.07)(670.2912, 619.82) 1 667.277 667.277@7.14528 + 245.01@7.146281 7.146281 (246.0172, 1557.81) 1 245.01 245.01@7.146281 + 753.4101@7.145749 7.145749 (754.4173, 3005.4849)(755.4226, 1087.77) 2 753.4101 753.4101@7.145749 + 505.2052@7.415574 7.415574 (506.2125, 4870.8)(507.216, 1362.45) 1 505.2052 505.2052@7.415574 + 487.1952@7.424585 7.424585 (488.2025, 1800.68)(489.2058, 1059.89) 1 487.1952 487.1952@7.424585 + 458.2119@7.4946694 7.4946694 (459.2192, 1169.92) 1 458.2119 458.2119@7.4946694 + 671.2914@7.526709 7.526709 (672.2986, 3634.31)(673.3012, 798.89)(674.3139, 1193.79) 1 671.2914 671.2914@7.526709 + 719.4009@7.5837817 7.5837817 (720.4082, 1678.82) 1 719.4009 719.4009@7.5837817 + 487.1951@7.639855 7.639855 (488.2023, 1438.65) 1 487.1951 487.1951@7.639855 + 261.9871@7.6909237 7.6909237 (262.9944, 938.2) 1 261.9871 261.9871@7.6909237 + 455.2275@7.827116 7.827116 (456.2348, 1777.21) 1 455.2275 455.2275@7.827116 + 632.316@8.065484 8.065484 (633.3232, 1145.8)(634.3341, 825.64) 1 632.316 632.316@8.065484 + 415.1601@8.163648 8.163648 (416.1673, 2170.72) 1 415.1601 415.1601@8.163648 + 348.2075@8.207724 8.207724 (349.2148, 1897.89) 1 348.2075 348.2075@8.207724 + 411.1656@8.453174 8.453174 (412.1722, 580.96)(394.1623, 4896.61)(395.1656, 979.71) 1 411.1656 411.1656@8.453174 + 430.1788@8.73475 8.73475 (431.1861, 1884.41) 1 430.1788 430.1788@8.73475 + 103.1378@9.111534 9.111534 (104.145004, 1803.67) 2 103.1378 103.1378@9.111534 + 263.0801@0.799801 0.799801 (264.0874, 1737.48) 1 263.0801 263.0801@0.799801 + 519.3924@1.0696756 1.0696756 (520.3997, 2849.18) 1 519.3924 519.3924@1.0696756 + 322.2848@1.0726739 1.0726739 (323.2921, 1560.97) 1 322.2848 322.2848@1.0726739 + 608.4637@1.0886654 1.0886654 (609.4709, 2924.67)(591.4606, 5126.07) 1 608.4637 608.4637@1.0886654 + 493.3923@1.0936626 1.0936626 (494.3996, 2972.01) 1 493.3923 493.3923@1.0936626 + 283.2138@1.143635 1.143635 (284.2202, 2226.76)(266.2109, 6094.27) 1 283.2138 283.2138@1.143635 + 215.1875@1.143635 1.143635 (431.3825, 2987.5)(216.1945, 867.24) 1 215.1875 215.1875@1.143635 + 135.1566@1.1476327 1.1476327 (136.1639, 1141.83) 1 135.1566 135.1566@1.1476327 + 391.3321@1.1696202 1.1696202 (392.3418, 4579.35)(393.336, 1986.17)(414.3209, 22497.04) 1 391.3321 391.3321@1.1696202 + 744.1982@1.1751103 1.1751103 (745.2044, 1595.74)(746.2023, 1158.78)(747.2051, 947.12) 2 744.1982 744.1982@1.1751103 + 873.2601@1.205599 1.205599 (874.2674, 1529.96)(875.2678, 1033.03)(876.2659, 1373.35) 1 873.2601 873.2601@1.205599 + 891.2375@1.2225888 1.2225888 (892.2448, 1014.86) 1 891.2375 891.2375@1.2225888 + 427.2966@1.2375553 1.2375553 (428.30402, 3436.19)(429.3013, 1814.45)(430.3078, 1742.11) 2 427.2966 427.2966@1.2375553 + 690.1912@1.2365803 1.2365803 (691.1985, 1336.32) 1 690.1912 690.1912@1.2365803 + 561.4902@1.2425766 1.2425766 (562.4975, 1639.17)(563.5134, 842.25) 1 561.4902 561.4902@1.2425766 + 509.4127@1.2405703 1.2405703 (510.4209, 3443.2852)(511.43405, 1530.565)(512.4148, 4108.54) 2 509.4127 509.4127@1.2405703 + 527.3758@1.2565678 1.2565678 (528.3839, 4538.64)(529.3795, 2174.94)(545.4131, 985.26)(550.3628, 4148.54)(551.3504, 2586.36)(552.3506, 3426.22) 1 527.3758 527.3758@1.2565678 + 283.2144@1.2605654 1.2605654 (284.2216, 13686.04)(285.2162, 3729.55)(301.2497, 1080.04) 1 283.2144 283.2144@1.2605654 + 1245.351@1.2815521 1.2815521 (1246.3582, 1117.48)(1247.3579, 1136.44) 1 1245.351 1245.351@1.2815521 + 1172.3334@1.2845502 1.2845502 (1173.3407, 826.85)(1174.3379, 617.07) 1 1172.3334 1172.3334@1.2845502 + 812.5403@1.3025388 1.3025388 (813.5476, 780.67)(814.5527, 739.98) 1 812.5403 812.5403@1.3025388 + 606.4529@1.335517 1.335517 (607.4602, 3316.54)(608.4641, 1345.98) 1 606.4529 606.4529@1.335517 + 286.0474@1.3575025 1.3575025 (287.0547, 3992.89)(288.0664, 938.43) 1 286.0474 286.0474@1.3575025 + 368.2574@1.4184604 1.4184604 (369.2646, 1978.18) 1 368.2574 368.2574@1.4184604 + 268.2038@1.441444 1.441444 (269.2111, 4883.27)(270.213, 1365.77) 1 268.2038 268.2038@1.441444 + 304.2244@1.4444419 1.4444419 (305.2312, 5870.85)(306.2393, 2193.92)(307.2389, 1325.6)(327.214, 6550.67)(328.2092, 917.04) 1 304.2244 304.2244@1.4444419 + 292.1817@1.4544346 1.4544346 (293.189, 3974.97)(294.1938, 864.83) 1 292.1817 292.1817@1.4544346 + 439.278@1.4704229 1.4704229 (440.2852, 2081.18)(441.2984, 1252.96)(457.3123, 575.16) 1 439.278 439.278@1.4704229 + 430.3161@1.4964037 1.4964037 (431.3234, 1330.48) 1 430.3161 430.3161@1.4964037 + 782.583@1.5222542 1.5222542 (783.5903, 2040.815)(784.59424, 1045.65)(785.5944, 654.03) 2 782.583 782.583@1.5222542 + 312.2409@1.5693477 1.5693477 (313.2482, 3377.92)(314.2514, 1274.08) 1 312.2409 312.2409@1.5693477 + 1317.3727@1.5693477 1.5693477 (1318.3799, 1483.64)(1319.3751, 1286.54)(1320.3784, 824.41) 1 1317.3727 1317.3727@1.5693477 + 410.0422@1.6003231 1.6003231 (411.0494, 2128.51)(412.0564, 727.01) 1 410.0422 410.0422@1.6003231 + 313.1733@1.7631991 1.7631991 (314.18097, 3205.44)(315.1847, 918.15)(316.183, 828.66) 2 313.1733 313.1733@1.7631991 + 873.4754@1.6942452 1.6942452 (874.4826, 1405.1)(875.4852, 761.13) 1 873.4754 873.4754@1.6942452 + 489.358@1.7022383 1.7022383 (490.3653, 2746.17)(491.3734, 780.76) 1 489.358 489.358@1.7022383 + 346.2225@1.7232202 1.7232202 (347.2297, 2807.28)(348.2329, 1228.24) 1 346.2225 346.2225@1.7232202 + 172.0715@1.7342106 1.7342106 (173.0788, 18621.17) 1 172.0715 172.0715@1.7342106 + 262.2049@1.7412044 1.7412044 (263.2121, 1955.51) 1 262.2049 262.2049@1.7412044 + 374.2138@1.7422036 1.7422036 (375.2211, 880.04) 1 374.2138 374.2138@1.7422036 + 259.2148@1.7671814 1.7671814 (260.2221, 3739.89)(261.2306, 859.46)(242.2114, 3685.96) 1 259.2148 259.2148@1.7671814 + 449.2988@1.7808466 1.7808466 (450.30676, 2284.2148)(451.3077, 899.42505) 2 449.2988 449.2988@1.7808466 + 900.4356@1.8221313 1.8221313 (901.4428, 1802.38)(902.448, 1209.37) 1 900.4356 900.4356@1.8221313 + 1476.054@1.847108 1.847108 (1477.0613, 1455.28) 1 1476.054 1476.054@1.847108 + 303.2401@1.9000574 1.9000574 (304.2474, 3418.28)(326.2291, 1376.77) 1 303.2401 303.2401@1.9000574 + 399.2832@1.9130448 1.9130448 (400.2904, 9194.24)(401.2933, 2295.77) 1 399.2832 399.2832@1.9130448 + 303.2406@1.9979595 1.9979595 (304.2478, 18368.69)(305.2516, 3552.64)(306.2569, 900.76)(326.2304, 3388.6)(327.2359, 1067.05) 1 303.2406 303.2406@1.9979595 + 267.2194@1.9979595 1.9979595 (268.2267, 4986.79)(269.2312, 1152.99) 1 267.2194 267.2194@1.9979595 + 484.8503@2.036919 2.036919 (485.8576, 1253.67) 1 484.8503 484.8503@2.036919 + 479.3133@2.0928595 2.0928595 (480.3206, 1936.0)(481.3182, 682.34) 1 479.3133 479.3133@2.0928595 + 385.2312@2.0968552 2.0968552 (386.2385, 5718.21)(387.2422, 1287.11) 1 385.2312 385.2312@2.0968552 + 702.5322@2.1458013 2.1458013 (703.5394, 2737.94)(704.5395, 969.53) 1 702.5322 702.5322@2.1458013 + 443.3099@2.1577878 2.1577878 (444.3171, 2829.07)(445.32, 736.58) 1 443.3099 443.3099@2.1577878 + 385.2311@2.1687756 2.1687756 (386.2384, 4942.73)(387.2415, 1171.07) 1 385.2311 385.2311@2.1687756 + 719.5484@2.2366972 2.2366972 (720.5556, 1463.83)(721.5592, 880.9) 1 719.5484 719.5484@2.2366972 + 745.5548@2.402495 2.402495 (746.5621, 3692.08)(747.5647, 1542.47) 1 745.5548 745.5548@2.402495 + 354.2246@2.4684098 2.4684098 (355.2319, 1734.4)(356.2345, 727.42) 1 354.2246 354.2246@2.4684098 + 392.0997@2.8189096 2.8189096 (393.107, 3615.09)(394.1088, 682.05) 1 392.0997 392.0997@2.8189096 + 290.0035@2.8578491 2.8578491 (291.0108, 1889.61) 1 290.0035 290.0035@2.8578491 + 447.0168@2.8658366 2.8658366 (448.0241, 1020.56) 1 447.0168 447.0168@2.8658366 + 417.0294@2.9746614 2.9746614 (418.0366, 1335.91) 1 417.0294 417.0294@2.9746614 + 341.22@2.98764 2.98764 (342.2273, 66224.18)(343.2304, 13730.84)(344.2312, 5025.86)(345.2303, 558.85) 1 341.22 341.22@2.98764 + 363.2019@3.0046117 3.0046117 (364.2092, 11414.54)(365.2129, 2753.1) 1 363.2019 363.2019@3.0046117 + 271.1784@3.090466 3.090466 (272.1856, 6691.01)(273.1887, 1581.76) 1 271.1784 271.1784@3.090466 + 283.2146@3.1234088 3.1234088 (284.2219, 3932.18)(285.224, 1110.18) 1 283.2146 283.2146@3.1234088 + 535.1748@3.1433735 3.1433735 (536.182, 2419.26) 1 535.1748 535.1748@3.1433735 + 371.2661@3.3090718 3.3090718 (372.2732, 3510.73)(373.2752, 1148.56)(394.2557, 2921.62) 1 371.2661 371.2661@3.3090718 + 243.1469@3.6284335 3.6284335 (244.1542, 5312.6)(245.1561, 1111.04)(266.1361, 2588.94) 1 243.1469 243.1469@3.6284335 + 365.2175@3.8240051 3.8240051 (366.2248, 3514.59)(367.2184, 806.1) 1 365.2175 365.2175@3.8240051 + 616.5037@3.893845 3.893845 (617.511, 1347.42) 1 616.5037 616.5037@3.893845 + 992.7415@3.9237752 3.9237752 (993.7488, 2098.26)(994.7457, 922.21) 1 992.7415 992.7415@3.9237752 + 351.2255@3.9659398 3.9659398 (352.23285, 2996.575)(353.23245, 972.365) 2 351.2255 351.2255@3.9659398 + 542.4643@4.5122576 4.5122576 (543.4716, 1098.57) 1 542.4643 542.4643@4.5122576 + 241.2768@4.526218 4.526218 (242.2841, 23828.07)(243.2875, 3132.37)(244.2906, 817.78) 1 241.2768 241.2768@4.526218 + 365.2176@4.62294 4.62294 (753.4203, 733.32)(366.225, 6525.01)(367.2269, 1920.99) 1 365.2176 365.2176@4.62294 + 337.1857@4.6269283 4.6269283 (338.1929, 2785.81)(339.1934, 945.15) 1 337.1857 337.1857@4.6269283 + 371.2432@4.6368995 4.6368995 (372.2505, 5360.08)(373.2558, 1680.29) 1 371.2432 371.2432@4.6368995 + 373.2577@4.63989 4.63989 (374.265, 4165.29)(375.266, 1054.8) 1 373.2577 373.2577@4.63989 + 375.2731@4.6478667 4.6478667 (376.2804, 4208.83)(377.2838, 1554.92) 1 375.2731 375.2731@4.6478667 + 413.3289@4.714669 4.714669 (414.3362, 7081.22)(415.3398, 2519.14) 1 413.3289 413.3289@4.714669 + 799.5498@4.797418 4.797418 (800.5571, 1685.59)(801.5582, 967.18)(802.5655, 674.01) 1 799.5498 799.5498@4.797418 + 361.2454@5.072541 5.072541 (362.2527, 2264.16)(363.2534, 1512.52) 1 361.2454 361.2454@5.072541 + 1293.3145@5.4123635 5.4123635 (1294.3217, 868.15)(1295.3236, 811.81)(1296.3212, 811.88) 1 1293.3145 1293.3145@5.4123635 + 909.5377@5.4084244 5.4084244 (910.54944, 2217.9849)(911.5545, 972.67)(892.5349, 7275.99) 2 909.5377 909.5377@5.4084244 + 1234.8229@5.426313 5.426313 (1235.8302, 2049.46)(1236.835, 1918.44)(1237.84, 2861.51)(1238.8442, 2381.63)(1239.8392, 1972.25) 1 1234.8229 1234.8229@5.426313 + 1267.8271@5.436277 5.436277 (1268.8345, 1124.13)(1269.8289, 1002.28)(1270.8323, 926.27) 1 1267.8271 1267.8271@5.436277 + 1186.324@5.4751635 5.4751635 (1187.3295, 1677.65)(1188.333, 1424.4299)(1189.3387, 1061.45) 2 1186.324 1186.324@5.4751635 + 1189.3273@5.4980497 5.4980497 (1190.3345, 1580.61)(1191.335, 1369.59)(1192.335, 1457.97) 1 1189.3273 1189.3273@5.4980497 + 768.5737@5.5259457 5.5259457 (769.581, 21771.38) 1 768.5737 768.5737@5.5259457 + 1346.3479@5.577751 5.577751 (1347.3551, 1093.14)(1348.3583, 1371.94)(1349.3488, 798.43)(1369.3373, 1097.05)(1370.3408, 1215.66)(1371.3442, 683.21) 1 1346.3479 1346.3479@5.577751 + 957.5184@5.661432 5.661432 (958.5257, 1197.51)(959.5309, 888.17)(960.5396, 296.42) 1 957.5184 957.5184@5.661432 + 647.4074@5.6803584 5.6803584 (648.4147, 876.57) 1 647.4074 647.4074@5.6803584 + 791.5585@5.769887 5.769887 (792.5661, 2368.49)(793.5597, 1061.37) 2 791.5585 791.5585@5.769887 + 1287.257@5.81682 5.81682 (1288.2643, 799.23) 1 1287.257 1287.257@5.81682 + 1187.8636@5.840909 5.840909 (1188.8721, 1817.93)(1189.8741, 1572.13) 2 1187.8636 1187.8636@5.840909 + 837.5488@5.8949246 5.8949246 (838.5631, 1653.01)(839.56775, 883.705)(840.56854, 1563.085)(841.5702, 1085.77)(842.5762, 3818.61) 2 837.5488 837.5488@5.8949246 + 978.5415@5.833752 5.833752 (979.5488, 1212.15)(980.5487, 952.33) 1 978.5415 978.5415@5.833752 + 969.5405@5.837736 5.837736 (970.5475, 1413.95)(971.5652, 1092.79)(972.5742, 1305.72)(952.5375, 886.87)(953.5473, 775.2)(954.5386, 1112.01) 1 969.5405 969.5405@5.837736 + 799.5377@5.9423094 5.9423094 (800.545, 7719.38)(801.5468, 2430.56) 1 799.5377 799.5377@5.9423094 + 815.5599@5.96215 5.96215 (816.5689, 1424.0249)(817.5721, 1120.75) 2 815.5599 815.5599@5.96215 + 570.9747@5.975173 5.975173 (571.982, 1001.52) 1 570.9747 570.9747@5.975173 + 443.922@6.149431 6.149431 (444.9292, 929.91) 1 443.922 443.922@6.149431 + 868.5234@6.1922445 6.1922445 (869.5307, 1287.37) 1 868.5234 868.5234@6.1922445 + 769.4218@6.1982183 6.1982183 (770.4291, 1202.85) 1 769.4218 769.4218@6.1982183 + 308.2073@6.2181306 6.2181306 (309.2146, 3227.07) 1 308.2073 308.2073@6.2181306 + 599.4242@6.219126 6.219126 (600.4315, 1039.8) 1 599.4242 599.4242@6.219126 + 773.4767@6.370446 6.370446 (774.484, 1168.54)(775.4872, 737.11) 1 773.4767 773.4767@6.370446 + 692.4108@6.4307203 6.4307203 (693.41693, 1435.17)(694.4347, 747.49) 2 692.4108 692.4108@6.4307203 + 677.4048@6.58743 6.58743 (678.4121, 1567.69)(679.4035, 960.0) 1 677.4048 677.4048@6.58743 + 547.3596@6.636195 6.636195 (548.3669, 18041.03)(549.3739, 4551.54) 1 547.3596 547.3596@6.636195 + 609.4621@6.6590834 6.6590834 (610.4678, 2716.39)(632.4561, 840.79) 1 609.4621 609.4621@6.6590834 + 298.9971@6.6779914 6.6779914 (300.0044, 1032.67) 1 298.9971 298.9971@6.6779914 + 807.5736@6.699884 6.699884 (808.5809, 2202.03)(809.5825, 466.76) 1 807.5736 807.5736@6.699884 + 759.4388@6.7148104 6.7148104 (760.4436, 649.92)(761.457, 890.47)(762.4532, 3054.62)(763.4564, 1434.64)(764.4546, 1440.97)(777.4738, 1127.4) 1 759.4388 759.4388@6.7148104 + 875.0182@6.755608 6.755608 (876.0243, 1150.86)(877.025, 1150.44)(878.039, 1640.84)(893.0558, 1008.25) 1 875.0182 875.0182@6.755608 + 1321.821@6.789439 6.789439 (1322.8282, 1980.29)(1323.8309, 2682.37)(1324.8408, 2234.85) 1 1321.821 1321.821@6.789439 + 744.4362@7.035174 7.035174 (745.4435, 1191.82)(746.4389, 860.26) 1 744.4362 744.4362@7.035174 + 575.3223@7.098835 7.098835 (576.3296, 2334.74)(577.3378, 807.01) 1 575.3223 575.3223@7.098835 + 539.3551@7.1018195 7.1018195 (540.3624, 1094.56) 1 539.3551 539.3551@7.1018195 + 371.9911@0.7278342 0.7278342 (372.9988, 1733.89)(394.98, 2874.85) 1 371.9911 371.9911@0.7278342 + 376.7563@0.7528255 0.7528255 (377.7643, 945.61)(394.7903, 3811.41)(399.7444, 1391.27) 1 376.7563 376.7563@0.7528255 + 371.9907@0.770819 0.770819 (372.998, 1312.08) 1 371.9907 371.9907@0.770819 + 275.9682@0.9857301 0.9857301 (276.9755, 4257.06) 1 275.9682 275.9682@0.9857301 + 532.9969@1.0257113 1.0257113 (534.0042, 941.56) 1 532.9969 532.9969@1.0257113 + 1058.287@1.028686 1.028686 (1059.2845, 7827.02)(1060.283, 3772.1602)(1061.2805, 1722.415)(1062.2937, 516.42) 2 1058.287 1058.287@1.028686 + 581.394@1.0536976 1.0536976 (582.4013, 2427.63)(583.3903, 1415.36) 1 581.394 581.394@1.0536976 + 432.2793@1.056696 1.056696 (433.2865, 5628.84)(434.2957, 3030.67)(450.3116, 1951.25)(455.2711, 1266.35) 1 432.2793 432.2793@1.056696 + 446.1738@1.0576955 1.0576955 (447.1796, 1111.41)(464.2089, 1472.95) 1 446.1738 446.1738@1.0576955 + 656.4482@1.0616935 1.0616935 (657.4555, 1956.42)(658.4422, 1614.06) 1 656.4482 656.4482@1.0616935 + 496.3152@1.0636926 1.0636926 (497.3225, 1398.74) 1 496.3152 496.3152@1.0636926 + 428.2495@1.0662093 1.0662093 (429.2586, 1760.94) 2 428.2495 428.2495@1.0662093 + 724.4393@1.0646921 1.0646921 (725.4465, 887.03) 1 724.4393 724.4393@1.0646921 + 345.2668@1.0696896 1.0696896 (346.2741, 45048.28)(347.2765, 14498.83) 1 345.2668 345.2668@1.0696896 + 343.1478@1.0696896 1.0696896 (344.1551, 4753.97) 1 343.1478 343.1478@1.0696896 + 1067.34@1.070689 1.070689 (1068.3473, 1257.61)(1069.3503, 898.93)(1070.3477, 1163.85) 1 1067.34 1067.34@1.070689 + 499.3336@1.072688 1.072688 (500.3409, 22063.6)(501.344, 8300.67) 1 499.3336 499.3336@1.072688 + 565.3097@1.0736876 1.0736876 (566.317, 1803.12)(567.309, 936.73) 1 565.3097 565.3097@1.0736876 + 452.3864@1.0746871 1.0746871 (453.3936, 2640.45)(454.3879, 1102.71) 1 452.3864 452.3864@1.0746871 + 420.3199@1.0713887 1.0713887 (421.32965, 5103.485)(422.3425, 3905.54)(443.316, 4362.12) 2 420.3199 420.3199@1.0713887 + 397.2016@1.0756865 1.0756865 (398.2079, 2284.14)(420.192, 1359.59) 1 397.2016 397.2016@1.0756865 + 400.2221@1.078685 1.078685 (401.2293, 1962.83) 1 400.2221 400.2221@1.078685 + 625.4905@1.0796845 1.0796845 (626.4977, 2963.69)(627.497, 1724.11)(628.5097, 2051.19) 1 625.4905 625.4905@1.0796845 + 443.2226@1.080684 1.080684 (444.2299, 1964.97) 1 443.2226 443.2226@1.080684 + 443.3932@1.0816835 1.0816835 (444.4005, 2227.42) 1 443.3932 443.3932@1.0816835 + 302.1188@1.0866809 1.0866809 (303.1261, 2317.57)(304.1275, 930.12) 1 302.1188 302.1188@1.0866809 + 316.2029@1.0866809 1.0866809 (317.2097, 10493.88)(318.2122, 4043.71)(334.2376, 6074.93)(339.1904, 1727.47) 1 316.2029 316.2029@1.0866809 + 546.4272@1.0936773 1.0936773 (547.4345, 5413.34)(548.431, 2692.58) 1 546.4272 546.4272@1.0936773 + 732.5535@1.1186643 1.1186643 (733.5607, 1313.83)(734.5635, 1054.15)(735.5454, 967.08) 1 732.5535 732.5535@1.1186643 + 483.3902@1.1196637 1.1196637 (484.3975, 5342.45)(485.3936, 2796.09) 1 483.3902 483.3902@1.1196637 + 637.4876@1.1236616 1.1236616 (638.4949, 2389.25)(639.4856, 979.79)(640.4743, 1346.35) 1 637.4876 637.4876@1.1236616 + 650.5266@1.1011468 1.1011468 (651.53656, 1109.625) 2 650.5266 650.5266@1.1011468 + 500.3852@1.1276596 1.1276596 (501.3925, 4565.25) 1 500.3852 500.3852@1.1276596 + 297.1597@1.1816301 1.1816301 (298.1669, 1741.12) 1 297.1597 297.1597@1.1816301 + 399.2979@1.1816301 1.1816301 (400.3058, 4153.67)(417.3316, 18266.5)(418.3345, 5488.01)(419.3162, 20801.01) 1 399.2979 399.2979@1.1816301 + 584.1894@1.1826295 1.1826295 (585.1966, 3205.95)(586.1995, 1390.4) 1 584.1894 584.1894@1.1826295 + 414.2042@1.190625 1.190625 (415.2111, 28542.54)(416.2154, 9285.79)(432.2384, 28083.34)(433.2431, 8614.58) 1 414.2042 414.2042@1.190625 + 371.2794@1.1926239 1.1926239 (372.2866, 4012.39)(373.2904, 1728.35) 1 371.2794 371.2794@1.1926239 + 627.4746@1.2026181 1.2026181 (628.4819, 4368.17)(629.4853, 1911.63) 1 627.4746 627.4746@1.2026181 + 1275.3444@1.2066159 1.2066159 (1276.3517, 2282.85)(1277.3529, 2566.89)(1278.35, 2907.8) 1 1275.3444 1275.3444@1.2066159 + 347.1787@1.2066159 1.2066159 (348.1853, 6735.18)(370.1699, 2792.46) 1 347.1787 347.1787@1.2066159 + 249.1705@1.2385842 1.2385842 (250.17773, 104299.73)(251.18127, 16472.787)(252.18906, 2738.195) 4 249.1705 249.1705@1.2385842 + 301.1886@1.2525891 1.2525891 (603.386, 755.56)(302.1958, 5866.68)(303.1926, 2358.04) 1 301.1886 301.1886@1.2525891 + 403.3177@1.2605844 1.2605844 (404.3283, 1277.31)(426.3064, 7913.25) 1 403.3177 403.3177@1.2605844 + 285.1954@1.2715777 1.2715777 (286.2026, 3114.21) 1 285.1954 285.1954@1.2715777 + 378.1484@1.2725772 1.2725772 (379.1557, 3753.73)(380.1505, 831.15)(381.1456, 555.25) 1 378.1484 378.1484@1.2725772 + 186.0432@1.355525 1.355525 (187.0506, 6733.69)(188.0583, 1698.93)(209.0319, 1422.22) 1 186.0432 186.0432@1.355525 + 227.0957@1.396498 1.396498 (228.103, 4954.11)(229.1067, 1825.59) 1 227.0957 227.0957@1.396498 + 290.0541@1.4214811 1.4214811 (291.0614, 2739.77) 1 290.0541 290.0541@1.4214811 + 280.1604@1.4554576 1.4554576 (281.1677, 6407.35)(282.1749, 1698.9)(283.177, 1199.6) 1 280.1604 280.1604@1.4554576 + 882.0633@1.4554576 1.4554576 (883.0705, 2087.32)(884.0732, 831.12)(885.0713, 668.7) 1 882.0633 882.0633@1.4554576 + 734.3842@1.4574561 1.4574561 (735.3915, 1602.34)(736.3939, 664.55)(737.4017, 621.21) 1 734.3842 734.3842@1.4574561 + 629.3919@1.4594548 1.4594548 (630.3992, 1771.54)(631.3996, 853.82) 1 629.3919 629.3919@1.4594548 + 911.4877@1.4614533 1.4614533 (912.495, 982.65)(913.4957, 508.98) 1 911.4877 911.4877@1.4614533 + 1277.3414@1.4654505 1.4654505 (1278.3488, 955.1)(1279.3489, 673.54) 1 1277.3414 1277.3414@1.4654505 + 371.1904@1.470447 1.470447 (743.3877, 1289.08)(372.1981, 1348.34) 1 371.1904 371.1904@1.470447 + 301.0959@1.4824384 1.4824384 (302.1025, 1497.74)(319.1298, 8053.23)(320.1334, 1988.42) 1 301.0959 301.0959@1.4824384 + 264.1577@1.5423944 1.5423944 (265.1658, 4640.06)(266.1702, 650.02)(282.1913, 14525.3)(283.1883, 3682.34) 1 264.1577 264.1577@1.5423944 + 530.2154@1.5663763 1.5663763 (531.2227, 1595.41) 1 530.2154 530.2154@1.5663763 + 353.1993@1.5723716 1.5723716 (354.2065, 3409.2) 1 353.1993 353.1993@1.5723716 + 258.0894@1.5953538 1.5953538 (259.0966, 1736.18) 1 258.0894 258.0894@1.5953538 + 424.2077@1.7032664 1.7032664 (425.215, 1919.91)(426.2273, 687.22) 1 424.2077 424.2077@1.7032664 + 682.3248@1.7042656 1.7042656 (683.3321, 1066.95) 1 682.3248 682.3248@1.7042656 + 798.564@1.7102605 1.7102605 (799.5713, 2006.18)(800.5824, 751.33) 1 798.564 798.564@1.7102605 + 748.3906@1.7122589 1.7122589 (749.3978, 1509.58)(750.4026, 889.84) 1 748.3906 748.3906@1.7122589 + 718.2929@1.7172546 1.7172546 (719.3002, 2236.44)(720.3025, 895.87) 1 718.2929 718.2929@1.7172546 + 1023.5361@1.8970922 1.8970922 (1024.5435, 4753.42)(1025.5454, 3285.25)(1026.5483, 1453.42) 1 1023.5361 1023.5361@1.8970922 + 854.5328@1.9030865 1.9030865 (855.54, 1674.87)(856.5425, 1010.39) 1 854.5328 854.5328@1.9030865 + 552.1979@1.9070827 1.9070827 (553.2052, 2035.38) 1 552.1979 552.1979@1.9070827 + 865.4956@1.9120778 1.9120778 (866.5028, 1338.29) 1 865.4956 865.4956@1.9120778 + 896.5173@1.9120778 1.9120778 (897.5246, 1648.86)(898.5243, 1003.19) 1 896.5173 896.5173@1.9120778 + 255.1802@2.19478 2.19478 (256.1874, 4854.73)(257.1901, 1075.86) 1 255.1802 255.1802@2.19478 + 449.0406@2.7091024 2.7091024 (450.0479, 1416.03) 1 449.0406 449.0406@2.7091024 + 375.3339@2.798965 2.798965 (768.7056, 735.6)(376.3407, 1673.52)(377.3376, 709.52) 1 375.3339 375.3339@2.798965 + 348.1779@3.4368114 3.4368114 (349.1852, 1156.98) 1 348.1779 348.1779@3.4368114 + 416.179@3.5326097 3.5326097 (417.1863, 2366.28)(418.1888, 666.75) 1 416.179 416.179@3.5326097 + 662.2061@3.6503515 3.6503515 (663.2134, 1645.09)(664.2153, 690.4) 1 662.2061 662.2061@3.6503515 + 530.3977@4.0214577 4.0214577 (531.405, 1256.03) 1 530.3977 530.3977@4.0214577 + 296.0286@4.205393 4.205393 (297.03653, 11619.835)(298.03995, 2350.4768)(299.03323, 1636.5033) 4 296.0286 296.0286@4.205393 + 461.2592@4.324634 4.324634 (462.2665, 7701.84)(463.2706, 2469.06)(464.2683, 947.07) 1 461.2592 461.2592@4.324634 + 443.3142@4.6277223 4.6277223 (444.3214, 2472.13)(445.3246, 940.81)(446.33, 605.14) 1 443.3142 443.3142@4.6277223 + 343.2206@4.712451 4.712451 (344.2277, 1513.68)(326.2173, 8351.29)(327.2185, 1753.92) 1 343.2206 343.2206@4.712451 + 538.2699@4.7274027 4.7274027 (539.2772, 1213.03) 1 538.2699 538.2699@4.7274027 + 790.5309@4.8055377 4.8055377 (791.53906, 2678.99) 2 790.5309 790.5309@4.8055377 + 212.0557@4.934705 4.934705 (213.063, 6980.73) 1 212.0557 212.0557@4.934705 + 682.9768@5.0971265 5.0971265 (683.9841, 776.51)(684.9759, 689.22) 1 682.9768 682.9768@5.0971265 + 923.5618@5.452497 5.452497 (924.5686, 3156.275)(925.57275, 1808.225)(926.5691, 937.835) 2 923.5618 923.5618@5.452497 + 794.5996@5.483635 5.483635 (795.6069, 23423.69) 1 794.5996 794.5996@5.483635 + 770.5645@5.4912243 5.4912243 (771.57446, 11769.76) 2 770.5645 770.5645@5.4912243 + 360.2647@5.536418 5.536418 (361.272, 1386.04)(362.2749, 912.87) 1 360.2647 360.2647@5.536418 + 413.2998@5.540402 5.540402 (414.307, 1275.8) 1 413.2998 413.2998@5.540402 + 825.6141@5.560682 5.560682 (826.6217, 3805.4902)(827.6327, 2105.025) 2 825.6141 825.6141@5.560682 + 979.0593@5.572269 5.572269 (980.0665, 1144.85)(981.0785, 744.57)(982.0887, 878.17) 1 979.0593 979.0593@5.572269 + 803.6085@5.572269 5.572269 (804.6158, 2357.07)(805.618, 1445.85) 1 803.6085 803.6085@5.572269 + 1257.837@5.6072283 5.6072283 (1258.844, 1221.635)(1259.8501, 1770.655)(1260.858, 2213.21)(1261.8625, 2182.31)(1262.8691, 2028.19) 2 1257.837 1257.837@5.6072283 + 886.542@5.6403427 5.6403427 (887.54834, 1681.975)(888.5521, 752.56494)(889.56213, 842.685)(909.5377, 775.58) 2 886.542 886.542@5.6403427 + 827.6039@5.6788177 5.6788177 (828.6112, 935.32) 1 827.6039 827.6039@5.6788177 + 774.5939@5.7843575 5.7843575 (775.6012, 2356.27)(776.5932, 1047.51) 1 774.5939 774.5939@5.7843575 + 1200.8717@5.813509 5.813509 (1201.8789, 2592.1833)(1202.8842, 1855.8232) 3 1200.8717 1200.8717@5.813509 + 981.598@5.9101048 5.9101048 (982.6041, 1206.19) 2 981.598 981.598@5.9101048 + 881.4936@5.915766 5.915766 (882.5009, 4140.97)(883.5059, 2101.52) 1 881.4936 881.4936@5.915766 + 1042.6372@5.963546 5.963546 (1043.6445, 764.04)(1044.6415, 625.24)(1045.6613, 743.45) 1 1042.6372 1042.6372@5.963546 + 536.3468@5.975219 5.975219 (537.354, 1363.365)(538.3582, 856.99) 2 536.3468 536.3468@5.975219 + 357.2511@6.5327067 6.5327067 (358.2584, 9883.93)(359.2606, 2064.16) 1 357.2511 357.2511@6.5327067 + 865.9697@6.7167006 6.7167006 (866.977, 839.39)(867.9877, 818.64)(868.9828, 901.68) 1 865.9697 865.9697@6.7167006 + 1101.627@6.7167006 6.7167006 (1102.6343, 1421.83)(1103.6382, 1125.99)(1104.6434, 982.6) 1 1101.627 1101.627@6.7167006 + 843.484@6.723662 6.723662 (844.4913, 880.21)(845.485, 740.56)(846.4933, 1133.39) 1 843.484 843.484@6.723662 + 1130.1589@6.7336063 6.7336063 (1131.1663, 927.77)(1132.1862, 953.87)(1133.1744, 1101.9) 1 1130.1589 1130.1589@6.7336063 + 1081.709@6.7415614 6.7415614 (1082.7163, 2148.36) 1 1081.709 1081.709@6.7415614 + 1348.346@6.744545 6.744545 (1349.3531, 1857.02)(1350.3564, 2540.24)(1351.3654, 3179.42)(1352.3699, 2591.36)(1353.3802, 1166.49) 1 1348.346 1348.346@6.744545 + 1611.0283@6.7495165 6.7495165 (1612.0355, 1993.96)(1613.044, 3242.27) 1 1611.0283 1611.0283@6.7495165 + 1070.8439@6.7505107 6.7505107 (1071.8512, 1014.72) 1 1070.8439 1070.8439@6.7505107 + 1055.6508@6.788297 6.788297 (1056.658, 2796.35)(1057.6703, 3007.5)(1058.6757, 1937.69) 1 1055.6508 1055.6508@6.788297 + 1091.1356@6.7885084 6.7885084 (1092.1433, 2162.22)(1093.1543, 1837.765)(1094.1667, 1911.9) 2 1091.1356 1091.1356@6.7885084 + 345.2152@6.838013 6.838013 (346.2225, 3086.46) 1 345.2152 345.2152@6.838013 + 301.1887@7.0597057 7.0597057 (302.196, 4623.84)(303.1979, 1111.59) 1 301.1887 301.1887@7.0597057 + 607.5003@1.0240439 1.0240439 (608.5076, 2527.2)(609.5121, 1667.05) 1 607.5003 607.5003@1.0240439 + 624.4442@1.0540454 1.0540454 (625.4515, 2886.43) 1 624.4442 624.4442@1.0540454 + 580.2147@1.0600457 1.0600457 (581.222, 9251.55)(582.2227, 4258.14)(583.2256, 1528.89) 1 580.2147 580.2147@1.0600457 + 652.466@1.0600457 1.0600457 (653.4733, 1572.35) 1 652.466 652.466@1.0600457 + 598.2224@1.06143 1.06143 (599.229, 5067.545)(600.23315, 1838.2251)(581.2194, 5313.94)(582.2223, 1280.2)(583.2264, 689.81) 2 598.2224 598.2224@1.06143 + 566.4241@1.0690463 1.0690463 (567.4314, 2663.36) 1 566.4241 566.4241@1.0690463 + 442.3281@1.0710464 1.0710464 (443.3356, 3536.98)(460.361, 7187.52)(465.3201, 3097.88) 1 442.3281 442.3281@1.0710464 + 421.181@1.0730464 1.0730464 (422.1883, 2450.78) 1 421.181 421.181@1.0730464 + 331.1426@1.0760466 1.0760466 (332.1498, 3770.08)(333.1629, 1116.45) 1 331.1426 331.1426@1.0760466 + 482.3551@1.0790468 1.0790468 (483.3613, 3432.88)(500.3904, 6166.21)(501.3941, 5366.75)(502.3752, 8839.7) 1 482.3551 482.3551@1.0790468 + 775.4673@1.0800469 1.0800469 (776.4746, 608.05)(777.4803, 723.08)(778.4947, 952.09) 1 775.4673 775.4673@1.0800469 + 684.4637@1.083047 1.083047 (685.471, 1221.72) 1 684.4637 684.4637@1.083047 + 598.4517@1.0840471 1.0840471 (599.4589, 2389.04) 1 598.4517 598.4517@1.0840471 + 622.1678@1.1210492 1.1210492 (623.175, 1285.76) 1 622.1678 622.1678@1.1210492 + 474.3351@1.1330497 1.1330497 (475.3424, 2728.12) 1 474.3351 474.3351@1.1330497 + 566.4975@1.1840525 1.1840525 (567.5042, 1549.08)(589.4899, 851.58) 1 566.4975 566.4975@1.1840525 + 287.1074@1.1900529 1.1900529 (288.1146, 2200.33) 1 287.1074 287.1074@1.1900529 + 573.4228@1.253056 1.253056 (574.4278, 1750.86)(556.4205, 1974.06)(557.415, 1371.03)(558.425, 1597.6) 1 573.4228 573.4228@1.253056 + 331.1682@1.2620565 1.2620565 (332.1755, 3056.24)(333.1684, 893.39)(334.1795, 1989.99) 1 331.1682 331.1682@1.2620565 + 326.2101@1.2395841 1.2395841 (327.21838, 3582.9248)(349.1997, 4772.11)(350.1912, 2002.75) 2 326.2101 326.2101@1.2395841 + 267.2173@1.2840577 1.2840577 (268.2246, 4762.89) 1 267.2173 267.2173@1.2840577 + 723.0363@1.3322823 1.3322823 (724.0434, 2145.94) 2 723.0363 723.0363@1.3322823 + 361.2086@1.3340602 1.3340602 (362.2159, 1203.64) 1 361.2086 361.2086@1.3340602 + 381.3082@1.3420606 1.3420606 (382.3155, 10154.59)(383.3205, 2053.52) 1 381.3082 381.3082@1.3420606 + 303.2038@1.3640616 1.3640616 (304.211, 3873.73)(305.2139, 1572.22) 1 303.2038 303.2038@1.3640616 + 554.1704@1.4130639 1.4130639 (555.1777, 879.49)(556.1779, 571.42) 1 554.1704 554.1704@1.4130639 + 802.5902@1.4260645 1.4260645 (803.5974, 806.36)(804.6057, 603.95) 1 802.5902 802.5902@1.4260645 + 268.169@1.4350649 1.4350649 (269.1757, 2682.8)(286.2032, 3749.95) 1 268.169 268.169@1.4350649 + 574.8817@1.4391067 1.4391067 (575.8888, 2694.18) 2 574.8817 574.8817@1.4391067 + 650.9789@1.5170684 1.5170684 (651.9862, 800.19) 1 650.9789 650.9789@1.5170684 + 92.0622@1.5270689 1.5270689 (93.0695, 904.6) 1 92.0622 92.0622@1.5270689 + 553.1724@1.5690706 1.5690706 (554.1774, 687.17)(571.2068, 2800.88)(572.2109, 971.59) 1 553.1724 553.1724@1.5690706 + 222.0369@1.5920714 1.5920714 (223.0442, 903.47) 1 222.0369 222.0369@1.5920714 + 987.5822@1.6528305 1.6528305 (988.58746, 902.35)(1010.5714, 2228.49)(1011.57434, 1430.22) 2 987.5822 987.5822@1.6528305 + 131.0373@1.6690742 1.6690742 (132.0446, 1535.91) 1 131.0373 131.0373@1.6690742 + 208.0851@1.6770744 1.6770744 (209.0924, 9575.19)(210.0921, 1260.6)(211.0999, 824.42) 1 208.0851 208.0851@1.6770744 + 541.4181@1.7070754 1.7070754 (542.4253, 2196.96)(543.4272, 1006.85) 1 541.4181 541.4181@1.7070754 + 232.0733@1.7180756 1.7180756 (233.0796, 1328.78)(215.0701, 19554.48)(216.0761, 1699.73)(217.0782, 514.51) 1 232.0733 232.0733@1.7180756 + 399.2815@1.7440764 1.7440764 (400.2888, 1215.03) 1 399.2815 399.2815@1.7440764 + 335.0016@1.9980807 1.9980807 (336.0088, 872.81) 1 335.0016 335.0016@1.9980807 + 724.0231@2.2220795 2.2220795 (725.0304, 1569.73) 1 724.0231 724.0231@2.2220795 + 504.3146@2.549067 2.549067 (505.3219, 4539.14)(506.3218, 1539.79) 1 504.3146 504.3146@2.549067 + 776.5682@2.8510416 2.8510416 (777.5755, 1216.56) 1 776.5682 776.5682@2.8510416 + 595.0993@3.4749353 3.4749353 (596.1066, 968.41) 1 595.0993 595.0993@3.4749353 + 609.4402@3.6871574 3.6871574 (610.44745, 1994.7133) 3 609.4402 609.4402@3.6871574 + 586.0907@3.7968464 3.7968464 (587.0979, 1326.47) 1 586.0907 586.0907@3.7968464 + 870.1195@3.803844 3.803844 (871.1268, 1683.59)(872.1283, 646.78) 1 870.1195 870.1195@3.803844 + 752.0398@3.8748207 3.8748207 (753.047, 1316.41) 1 752.0398 752.0398@3.8748207 + 741.6125@3.8928146 3.8928146 (742.6198, 2245.12)(743.6217, 1048.96) 1 741.6125 741.6125@3.8928146 + 776.0482@3.937799 3.937799 (777.0554, 1511.23) 1 776.0482 776.0482@3.937799 + 716.5164@3.9625998 3.9625998 (717.5237, 1945.705)(718.5168, 1273.75) 2 716.5164 716.5164@3.9625998 + 678.1557@3.9597912 3.9597912 (679.163, 1273.02) 1 678.1557 678.1557@3.9597912 + 243.2216@4.032764 4.032764 (244.2272, 1611.59)(266.2117, 1324.85) 1 243.2216 243.2216@4.032764 + 673.1487@4.0677505 4.0677505 (674.1559, 2041.79) 1 673.1487 673.1487@4.0677505 + 576.4126@4.061607 4.061607 (577.4196, 1230.22)(578.4186, 593.61) 2 576.4126 576.4126@4.061607 + 389.1144@4.1437197 4.1437197 (390.1217, 1628.95) 1 389.1144 389.1144@4.1437197 + 649.4613@4.1797047 4.1797047 (650.4686, 1493.95)(651.4681, 1419.42) 1 649.4613 649.4613@4.1797047 + 112.0469@4.221687 4.221687 (225.1015, 675.3)(113.0541, 4132.11) 1 112.0469 112.0469@4.221687 + 213.2457@4.3016505 4.3016505 (214.2529, 71332.95)(215.256, 11114.01)(216.2605, 1584.52) 1 213.2457 213.2457@4.3016505 + 313.2981@4.468569 4.468569 (314.3054, 2342.9)(315.305, 905.69) 1 313.2981 313.2981@4.468569 + 268.2504@4.5435295 4.5435295 (269.2577, 1490.07) 1 268.2504 268.2504@4.5435295 + 1461.3336@4.5994983 4.5994983 (1462.341, 1180.29) 1 1461.3336 1461.3336@4.5994983 + 986.5501@4.602497 4.602497 (987.5573, 1224.91) 1 986.5501 986.5501@4.602497 + 203.1156@4.607494 4.607494 (204.1213, 820.16)(186.1124, 12054.77)(187.1149, 909.01) 1 203.1156 203.1156@4.607494 + 769.5011@4.7164307 4.7164307 (770.5083, 1842.54)(771.5149, 759.64)(772.5202, 706.17)(792.4907, 796.44) 1 769.5011 769.5011@4.7164307 + 623.9504@4.792384 4.792384 (624.9577, 1729.31) 1 623.9504 623.9504@4.792384 + 748.9573@4.8893213 4.8893213 (749.9646, 2513.12) 1 748.9573 748.9573@4.8893213 + 880.5968@5.434903 5.434903 (881.6041, 4929.1) 1 880.5968 880.5968@5.434903 + 779.0396@5.5019736 5.5019736 (780.0469, 3025.175) 2 779.0396 779.0396@5.5019736 + 1570.1316@5.5128336 5.5128336 (1571.1389, 1342.31)(1572.1226, 1105.26)(1573.1233, 737.72) 1 1570.1316 1570.1316@5.5128336 + 588.284@5.566784 5.566784 (1177.5747, 1096.86)(1178.5767, 1011.79)(1179.584, 740.53)(589.2917, 1178.51) 1 588.284 588.284@5.566784 + 765.3829@5.8105435 5.8105435 (766.3902, 869.0) 1 765.3829 765.3829@5.8105435 + 489.7407@5.8305225 5.8305225 (490.7479, 1139.14)(491.7516, 670.51)(492.7588, 603.26) 1 489.7407 489.7407@5.8305225 + 956.5193@5.838515 5.838515 (957.5266, 1135.97)(958.5149, 1183.64) 1 956.5193 956.5193@5.838515 + 997.5732@5.9158115 5.9158115 (998.5829, 1075.645)(999.5753, 762.07)(1000.5785, 768.38) 2 997.5732 997.5732@5.9158115 + 646.4007@5.938407 5.938407 (647.4079, 991.11) 1 646.4007 646.4007@5.938407 + 789.6122@5.9523916 5.9523916 (790.6192, 4182.24)(791.6199, 1583.75)(792.6175, 1228.74)(772.6095, 2290.46)(773.6082, 1474.97)(774.5906, 1643.7) 1 789.6122 789.6122@5.9523916 + 928.5359@5.954389 5.954389 (929.5432, 1894.75)(930.5491, 1831.35)(931.5501, 1465.52) 1 928.5359 928.5359@5.954389 + 878.5385@5.955388 5.955388 (879.5458, 3433.33)(880.5559, 2732.08)(881.5583, 2368.7) 1 878.5385 878.5385@5.955388 + 942.5174@5.9563875 5.9563875 (943.5247, 1500.57) 1 942.5174 942.5174@5.9563875 + 1084.609@5.958385 5.958385 (1085.6163, 825.39)(1086.6205, 672.13) 1 1084.609 1084.609@5.958385 + 707.4148@5.960383 5.960383 (708.4221, 1408.56)(709.4307, 513.01)(710.4392, 766.17) 1 707.4148 707.4148@5.960383 + 606.0853@5.962381 5.962381 (607.0925, 908.43) 1 606.0853 606.0853@5.962381 + 121.0735@6.0962276 6.0962276 (122.0808, 18166.36)(123.0895, 1150.95) 1 121.0735 121.0735@6.0962276 + 734.4908@6.1681423 6.1681423 (735.4981, 856.42) 1 734.4908 734.4908@6.1681423 + 946.549@6.1721373 6.1721373 (947.5595, 977.37)(948.5433, 1030.35)(949.554, 840.08)(969.5345, 873.95) 1 946.549 946.549@6.1721373 + 913.4979@6.173136 6.173136 (914.5052, 1478.87)(915.5098, 768.61)(916.5184, 1398.66)(917.5175, 450.73)(918.5327, 2296.86) 1 913.4979 913.4979@6.173136 + 942.5125@6.1724997 6.1724997 (943.525, 1192.8301)(944.538, 1120.33)(945.543, 827.13) 2 942.5125 942.5125@6.1724997 + 473.2813@6.342923 6.342923 (947.5683, 904.79)(948.5689, 534.76)(474.2898, 904.02) 1 473.2813 473.2813@6.342923 + 819.458@6.434802 6.434802 (820.4653, 1324.96)(821.4659, 843.13) 1 819.458 819.458@6.434802 + 623.4061@6.452778 6.452778 (624.4134, 3381.37)(625.4181, 877.62) 1 623.4061 623.4061@6.452778 + 691.4071@6.4802 6.4802 (692.41425, 7257.835)(693.41724, 2490.975)(714.3992, 819.74) 2 691.4071 691.4071@6.4802 + 785.468@6.551642 6.551642 (786.4715, 583.63)(768.465, 4535.95)(769.469, 1807.34)(770.4611, 1033.4) 1 785.468 785.468@6.551642 + 848.5589@6.597577 6.597577 (849.5662, 1909.81)(850.572, 1274.26) 1 848.5589 848.5589@6.597577 + 783.5727@6.6684747 6.6684747 (784.58, 1269.18)(785.5833, 886.27) 1 783.5727 783.5727@6.6684747 + 324.156@6.695435 6.695435 (649.3197, 1567.41)(325.1623, 790.31) 1 324.156 324.156@6.695435 + 797.452@6.7004275 6.7004275 (798.4593, 1263.02) 1 797.452 797.452@6.7004275 + 719.5804@6.7104125 6.7104125 (720.5876, 1300.01)(721.5877, 934.12) 1 719.5804 719.5804@6.7104125 + 847.0014@6.730383 6.730383 (848.0053, 1408.38)(849.0173, 1193.87)(850.0062, 1665.35)(865.0393, 1396.32) 1 847.0014 847.0014@6.730383 + 567.3363@6.7573423 6.7573423 (1135.687, 2736.53)(1136.692, 1955.47)(568.3429, 28463.06) 1 567.3363 567.3363@6.7573423 + 748.4371@6.7703223 6.7703223 (749.4444, 2148.76)(750.455, 1361.98)(751.459, 1521.12) 1 748.4371 748.4371@6.7703223 + 850.5472@6.868171 6.868171 (851.5545, 1458.79)(852.5588, 1039.36) 1 850.5472 850.5472@6.868171 + 630.3063@6.872165 6.872165 (631.3136, 1115.58) 1 630.3063 630.3063@6.872165 + 579.3519@7.019066 7.019066 (580.3595, 945.795)(562.34845, 3221.0898)(563.35095, 754.39)(564.3586, 714.86) 2 579.3519 579.3519@7.019066 + 827.5492@7.155696 7.155696 (828.5564, 1000.55) 1 827.5492 827.5492@7.155696 + 637.2977@7.168365 7.168365 (638.3053, 4792.425)(639.3091, 1656.065)(640.3091, 7167.39)(641.3119, 2955.06)(642.3213, 751.86)(660.2812, 807.51) 2 637.2977 637.2977@7.168365 + 519.2959@7.224575 7.224575 (520.3032, 2267.69)(521.322, 571.66) 1 519.2959 519.2959@7.224575 + 639.3015@7.2575164 7.2575164 (640.3088, 1702.51)(641.3133, 1153.63)(642.3231, 1044.77) 1 639.3015 639.3015@7.2575164 + 417.2757@7.3114185 7.3114185 (418.283, 1188.89) 1 417.2757 417.2757@7.3114185 + 453.2125@7.389274 7.389274 (454.2197, 1991.27)(455.2258, 598.74) 1 453.2125 453.2125@7.389274 + 290.1549@7.525014 7.525014 (291.1621, 1613.36) 1 290.1549 290.1549@7.525014 + 594.3359@7.596872 7.596872 (595.3431, 4018.13) 1 594.3359 594.3359@7.596872 + 423.1652@7.9152026 7.9152026 (424.1725, 2037.57) 1 423.1652 423.1652@7.9152026 + 451.1572@8.24444 8.24444 (452.1649, 539.96)(434.1537, 1003.53) 1 451.1572 451.1572@8.24444 + 559.1136@0.6668736 0.6668736 (560.1209, 1267.51) 1 559.1136 559.1136@0.6668736 + 1342.1722@0.8898002 0.8898002 (1343.1794, 1263.86)(1344.1812, 1114.01)(1345.1755, 893.86) 1 1342.1722 1342.1722@0.8898002 + 603.989@0.92878526 0.92878526 (604.9962, 1692.23)(606.0025, 681.06) 1 603.989 603.989@0.92878526 + 1221.8372@0.9907601 0.9907601 (1222.8444, 1642.35)(1223.8481, 1344.39)(1224.8486, 918.97) 1 1221.8372 1221.8372@0.9907601 + 819.2338@1.0197477 1.0197477 (820.2411, 1075.45) 1 819.2338 819.2338@1.0197477 + 710.4878@1.0247456 1.0247456 (711.495, 1036.57)(712.4867, 857.54) 1 710.4878 710.4878@1.0247456 + 632.1865@1.0347413 1.0347413 (1282.4128, 2581.15)(633.1918, 3938.53)(634.1889, 1428.32) 1 632.1865 632.1865@1.0347413 + 569.4643@1.0532007 1.0532007 (570.4729, 8326.279)(571.474, 3381.1)(572.4823, 3923.08) 2 569.4643 569.4643@1.0532007 + 697.5495@1.0557319 1.0557319 (698.5568, 2445.98)(699.5575, 1213.44) 1 697.5495 697.5495@1.0557319 + 470.3792@1.05973 1.05973 (471.3865, 1562.73) 1 470.3792 470.3792@1.05973 + 615.4679@1.0627288 1.0627288 (616.4776, 3328.54)(598.4632, 3101.1) 1 615.4679 615.4679@1.0627288 + 336.3017@1.0707252 1.0707252 (337.3103, 1715.37)(354.3332, 1874.4) 1 336.3017 336.3017@1.0707252 + 457.2626@1.0717248 1.0717248 (458.2699, 1888.71)(459.2669, 966.29) 1 457.2626 457.2626@1.0717248 + 412.3159@1.0856844 1.0856844 (413.32367, 3066.01)(435.3043, 2268.51) 2 412.3159 412.3159@1.0856844 + 554.1696@1.077722 1.077722 (555.1769, 1925.19) 1 554.1696 554.1696@1.077722 + 668.5336@1.0787215 1.0787215 (669.5409, 1137.18) 1 668.5336 668.5336@1.0787215 + 583.2545@1.0787215 1.0787215 (584.2618, 4499.91) 1 583.2545 583.2545@1.0787215 + 396.3641@1.0847188 1.0847188 (397.3714, 1394.59) 1 396.3641 396.3641@1.0847188 + 743.7412@1.1017109 1.1017109 (744.7485, 1551.32) 1 743.7412 743.7412@1.1017109 + 338.207@1.1177033 1.1177033 (339.212, 1885.03)(321.205, 2254.16) 1 338.207 338.207@1.1177033 + 422.2236@1.1217014 1.1217014 (423.2309, 918.02) 1 422.2236 422.2236@1.1217014 + 352.2163@1.128698 1.128698 (353.2236, 2600.69)(354.2175, 2449.83)(355.2244, 22909.75) 1 352.2163 352.2163@1.128698 + 384.3208@1.1331475 1.1331475 (385.3291, 2482.425)(386.3289, 1348.18)(407.3137, 1629.55) 2 384.3208 384.3208@1.1331475 + 298.3054@1.1356947 1.1356947 (299.3127, 1299.26) 1 298.3054 298.3054@1.1356947 + 450.2611@1.1506873 1.1506873 (451.2683, 1710.98) 1 450.2611 450.2611@1.1506873 + 265.2256@1.1606824 1.1606824 (266.2329, 2756.03) 1 265.2256 265.2256@1.1606824 + 286.1795@1.2156544 1.2156544 (287.1867, 3434.75) 1 286.1795 286.1795@1.2156544 + 501.3002@1.2176535 1.2176535 (502.3074, 1122.22)(503.2953, 870.11) 1 501.3002 501.3002@1.2176535 + 293.1904@1.2545941 1.2545941 (294.19647, 9916.564)(316.1777, 1705.26) 2 293.1904 293.1904@1.2545941 + 382.3109@1.2566327 1.2566327 (383.3182, 5286.55) 1 382.3109 382.3109@1.2566327 + 536.3365@1.2566327 1.2566327 (537.3438, 1368.95) 1 536.3365 536.3365@1.2566327 + 171.0893@1.2586316 1.2586316 (343.1872, 5605.4)(172.0969, 4694.61)(189.121, 2498.05) 1 171.0893 171.0893@1.2586316 + 689.4991@1.2616299 1.2616299 (690.5064, 683.75)(691.5009, 233.17)(692.4915, 339.77) 1 689.4991 689.4991@1.2616299 + 1202.3245@1.2756224 1.2756224 (1203.3318, 677.37)(1204.3329, 969.37)(1205.3307, 623.37) 1 1202.3245 1202.3245@1.2756224 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847.987@6.7171674 + 1382.8407@6.7171674 6.7171674 (1383.8502, 1013.79)(1384.8429, 930.79)(1385.8461, 848.24)(1405.8268, 985.18) 1 1382.8407 1382.8407@6.7171674 + 553.3225@6.7191567 6.7191567 (1124.679, 1951.27)(1125.6776, 2050.05)(1126.6515, 1838.47)(554.3295, 1147.7) 1 553.3225 553.3225@6.7191567 + 555.334@6.7191567 6.7191567 (556.3412, 4728.02)(557.3447, 1578.0)(558.3497, 2451.33)(559.3561, 0.0) 1 555.334 555.334@6.7191567 + 1346.3256@6.7281065 6.7281065 (1347.3329, 1624.82)(1348.3428, 1683.05)(1349.3514, 1621.3) 1 1346.3256 1346.3256@6.7281065 + 1371.3383@6.7300954 6.7300954 (1372.3455, 1212.8)(1373.3519, 1188.51)(1374.3613, 1119.19) 1 1371.3383 1371.3383@6.7300954 + 1068.7085@6.75098 6.75098 (1069.7158, 256641.4) 1 1068.7085 1068.7085@6.75098 + 1029.6836@6.7837963 6.7837963 (1030.6909, 12069.69)(1031.7012, 11721.44)(1032.704, 5674.04) 1 1029.6836 1029.6836@6.7837963 + 568.3372@6.855391 6.855391 (569.3444, 1282.65)(570.3561, 1188.58) 1 568.3372 568.3372@6.855391 + 103.1378@6.8583736 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547.4431@1.5783299 + 315.1889@1.6212963 1.6212963 (316.1981, 1385.81)(298.1856, 13090.06)(299.1881, 2959.84) 1 315.1889 315.1889@1.6212963 + 433.9627@1.7142203 1.7142203 (434.97, 967.87) 1 433.9627 433.9627@1.7142203 + 435.2467@2.0189397 2.0189397 (436.254, 2179.35) 1 435.2467 435.2467@2.0189397 + 116.0481@2.393527 2.393527 (117.0554, 1741.37) 1 116.0481 116.0481@2.393527 + 426.1162@2.747065 2.747065 (427.1235, 3084.81)(428.1269, 937.72) 1 426.1162 426.1162@2.747065 + 203.0488@2.7510595 2.7510595 (204.056, 12185.97)(205.058, 2598.28) 1 203.0488 203.0488@2.7510595 + 633.2512@2.7560523 2.7560523 (634.2585, 1614.38)(635.2635, 966.93) 1 633.2512 633.2512@2.7560523 + 416.0904@2.7989912 2.7989912 (417.0977, 1048.73) 1 416.0904 416.0904@2.7989912 + 387.144@2.9437766 2.9437766 (388.1513, 3430.94) 1 387.144 387.144@2.9437766 + 614.1658@2.9887073 2.9887073 (615.1725, 816.02)(597.1626, 1629.46) 1 614.1658 614.1658@2.9887073 + 341.2051@3.1793997 3.1793997 (342.2124, 3479.08)(343.2189, 945.71) 1 341.2051 341.2051@3.1793997 + 228.0618@3.3770576 3.3770576 (229.0691, 1064.35) 1 228.0618 228.0618@3.3770576 + 796.523@3.9938264 3.9938264 (797.5302, 1683.02) 1 796.523 796.523@3.9938264 + 1036.7671@4.1105647 4.1105647 (1037.7743, 1448.34) 1 1036.7671 1036.7671@4.1105647 + 472.1389@4.4976287 4.4976287 (473.1462, 2395.16)(495.128, 1549.81) 1 472.1389 472.1389@4.4976287 + 884.5406@4.6280603 4.6280603 (885.5476, 1933.6951)(886.5522, 1059.82)(902.5751, 2353.72)(903.5784, 1136.57)(907.53174, 2056.295)(908.54553, 1764.5) 2 884.5406 884.5406@4.6280603 + 611.4061@4.7030888 4.7030888 (612.4134, 940.62) 1 611.4061 611.4061@4.7030888 + 765.529@4.7719007 4.7719007 (766.5362, 11962.63)(767.541, 5103.72) 1 765.529 765.529@4.7719007 + 821.5326@4.7948375 4.7948375 (822.5399, 1296.17)(823.5431, 1130.31) 1 821.5326 821.5326@4.7948375 + 490.2695@4.801818 4.801818 (491.2764, 2335.35)(492.2795, 843.36)(473.2678, 925.2) 1 490.2695 490.2695@4.801818 + 723.5161@5.1737328 5.1737328 (724.5233, 1220.86) 1 723.5161 723.5161@5.1737328 + 1618.1469@5.441883 5.441883 (1619.1542, 1743.93)(1620.1378, 1621.42)(1621.1216, 1245.56) 1 1618.1469 1618.1469@5.441883 + 931.5081@5.4598246 5.4598246 (932.5154, 1210.47) 1 931.5081 931.5081@5.4598246 + 1641.1569@5.452007 5.452007 (1642.1511, 1445.26)(1643.1486, 1109.855)(1644.1448, 1160.605)(1645.1149, 903.05)(1646.1296, 1740.31) 2 1641.1569 1641.1569@5.452007 + 981.5093@5.4986963 5.4986963 (982.5166, 824.96)(983.5217, 557.97)(984.5269, 607.13) 1 981.5093 981.5093@5.4986963 + 967.535@5.510657 5.510657 (968.5422, 885.26)(969.5558, 851.04) 1 967.535 967.535@5.510657 + 1514.1085@5.5116534 5.5116534 (1515.1158, 1068.49) 1 1514.1085 1514.1085@5.5116534 + 821.5456@5.532583 5.532583 (822.5529, 14502.88)(823.5576, 5706.56) 1 821.5456 821.5456@5.532583 + 1271.8497@5.54554 5.54554 (1272.857, 1775.45)(1273.8663, 1797.16)(1274.868, 973.44) 1 1271.8497 1271.8497@5.54554 + 1320.339@5.55451 5.55451 (1321.3463, 1342.63)(1322.3542, 810.99)(1323.3628, 910.97) 1 1320.339 1320.339@5.55451 + 1688.1211@5.5679016 5.5679016 (1689.1316, 815.94995)(1690.1403, 645.005)(1691.1519, 730.89)(1692.156, 1175.79)(1693.1536, 787.33) 2 1688.1211 1688.1211@5.5679016 + 1081.5988@5.5684633 5.5684633 (1082.6075, 1238.6)(1083.6097, 887.48)(1104.584, 718.68) 1 1081.5988 1081.5988@5.5684633 + 766.0006@5.5704565 5.5704565 (767.0079, 1224.66) 1 766.0006 766.0006@5.5704565 + 868.7701@5.5774326 5.5774326 (869.7773, 1159.14)(870.7785, 782.24) 1 868.7701 868.7701@5.5774326 + 427.4486@5.639222 5.639222 (428.4559, 1460.8) 1 427.4486 427.4486@5.639222 + 808.0774@5.7677746 5.7677746 (809.0847, 3259.6)(810.0871, 629.05) 1 808.0774 808.0774@5.7677746 + 172.0219@5.8325443 5.8325443 (173.0291, 864.82) 1 172.0219 172.0219@5.8325443 + 815.5756@5.8375263 5.8375263 (816.5845, 2144.38)(817.5707, 1493.22)(838.5624, 1417.17)(839.5625, 948.0)(840.5701, 670.05) 1 815.5756 815.5756@5.8375263 + 1286.7577@5.8412848 5.8412848 (1287.7649, 1306.62) 2 1286.7577 1286.7577@5.8412848 + 663.414@6.0308166 6.0308166 (664.4213, 1623.74)(665.425, 582.05) 1 663.414 663.414@6.0308166 + 696.5168@6.6811953 6.6811953 (697.5241, 1503.31)(698.5294, 785.88) 1 696.5168 696.5168@6.6811953 + 855.9751@6.720027 6.720027 (856.9823, 937.77)(857.9938, 769.12) 1 855.9751 855.9751@6.720027 + 540.3741@6.733967 6.733967 (541.3814, 3192.72) 1 540.3741 540.3741@6.733967 + 1369.8511@6.7359576 6.7359576 (1370.8583, 776.89)(1371.8433, 1467.04)(1372.8444, 995.59) 1 1369.8511 1369.8511@6.7359576 + 493.406@6.7528834 6.7528834 (494.4133, 1799.72) 1 493.406 493.406@6.7528834 + 1036.1398@6.821581 6.821581 (1037.1471, 2021.56) 1 1036.1398 1036.1398@6.821581 + 573.3042@6.875341 6.875341 (574.3114, 28687.52)(575.3149, 8212.5) 1 573.3042 573.3042@6.875341 + 640.3054@6.9539847 6.9539847 (641.3127, 2280.7)(642.3188, 1070.07) 1 640.3054 640.3054@6.9539847 + 694.1859@7.1650023 7.1650023 (695.1932, 1288.76) 1 694.1859 694.1859@7.1650023 + 640.3064@7.1689835 7.1689835 (641.3136, 1828.56)(642.3207, 1219.55) 1 640.3064 640.3064@7.1689835 + 625.323@7.6306863 7.6306863 (626.3303, 1389.49)(627.3346, 524.59) 1 625.323 625.323@7.6306863 + 605.3617@7.912186 7.912186 (606.369, 984.65) 1 605.3617 605.3617@7.912186 + 1281.3248@1.0546705 1.0546705 (1282.3302, 1228.2)(1283.3281, 683.02)(1299.3606, 1469.0) 1 1281.3248 1281.3248@1.0546705 + 933.2818@1.0616668 1.0616668 (934.2891, 953.78)(935.288, 738.95)(936.286, 942.93) 1 933.2818 933.2818@1.0616668 + 968.2518@1.0616668 1.0616668 (969.259, 1837.36)(970.2591, 1160.26) 1 968.2518 968.2518@1.0616668 + 1007.2983@1.0626663 1.0626663 (1008.3056, 831.8)(1009.3043, 1059.13)(1010.2982, 893.47) 1 1007.2983 1007.2983@1.0626663 + 615.5025@1.0636659 1.0636659 (616.5097, 1998.04)(617.5119, 1192.89) 1 615.5025 615.5025@1.0636659 + 1156.317@1.0656648 1.0656648 (1157.3242, 1266.84)(1158.3162, 807.25)(1159.3173, 1015.31) 1 1156.317 1156.317@1.0656648 + 1169.3336@1.076659 1.076659 (1170.341, 3359.47)(1171.3407, 2297.53)(1172.3398, 1577.15)(1173.3402, 279.19) 1 1169.3336 1169.3336@1.076659 + 763.5633@1.1076423 1.1076423 (764.5705, 1508.86)(765.5745, 846.78) 1 763.5633 763.5633@1.1076423 + 299.2062@1.1286305 1.1286305 (300.2135, 9812.21) 1 299.2062 299.2062@1.1286305 + 709.6165@1.1306295 1.1306295 (710.6237, 1922.76)(711.6292, 1336.51)(712.6382, 941.14) 1 709.6165 709.6165@1.1306295 + 533.3022@1.1316289 1.1316289 (534.3095, 1764.71) 1 533.3022 533.3022@1.1316289 + 503.101@1.1416233 1.1416233 (504.1082, 1799.25)(505.105, 917.69)(506.1023, 768.8) 1 503.101 503.101@1.1416233 + 669.1798@1.1436222 1.1436222 (670.187, 2443.32)(671.1865, 1704.44)(672.1848, 1506.63) 1 669.1798 669.1798@1.1436222 + 834.2327@1.1456211 1.1456211 (835.24, 138992.81)(836.2386, 67016.57)(837.2379, 26564.21)(838.2368, 9524.72)(839.2359, 3515.53) 1 834.2327 834.2327@1.1456211 + 831.2337@1.1456211 1.1456211 (832.241, 375002.2)(833.242, 303135.94)(834.2404, 217092.95) 1 831.2337 831.2337@1.1456211 + 912.2471@1.1476198 1.1476198 (913.2543, 4225.92)(914.2546, 1243.72) 1 912.2471 912.2471@1.1476198 + 258.1832@1.1486194 1.1486194 (259.1939, 953.52)(241.1796, 8670.52)(242.1823, 1080.64) 1 258.1832 258.1832@1.1486194 + 609.1768@1.1482035 1.1482035 (610.18384, 449991.78)(611.1848, 287371.16)(612.1832, 217288.03) 2 609.1768 609.1768@1.1482035 + 502.0997@1.1536165 1.1536165 (503.107, 2563.1) 1 502.0997 502.0997@1.1536165 + 757.2148@1.1546159 1.1546159 (758.2221, 559913.7)(759.2233, 382161.22)(760.2217, 332659.6) 1 757.2148 757.2148@1.1546159 + 364.2099@1.1696073 1.1696073 (365.2171, 3389.19) 1 364.2099 364.2099@1.1696073 + 249.1946@1.1766033 1.1766033 (250.2019, 2218.8) 1 249.1946 249.1946@1.1766033 + 210.1854@1.1945927 1.1945927 (211.1943, 1181.02)(233.1744, 8765.31)(234.1783, 1247.93)(235.1689, 8011.45) 1 210.1854 210.1854@1.1945927 + 411.2838@1.1985903 1.1985903 (412.29, 4736.02)(413.2921, 1875.62)(434.2761, 2800.35) 1 411.2838 411.2838@1.1985903 + 671.1798@1.2055861 1.2055861 (672.187, 1039.78)(673.1853, 893.51) 1 671.1798 671.1798@1.2055861 + 1113.2931@1.2105831 1.2105831 (1114.3003, 1353.83)(1115.2991, 486.34)(1116.2983, 584.98) 1 1113.2931 1113.2931@1.2105831 + 1024.2915@1.2175789 1.2175789 (1025.2988, 1099.47)(1026.3025, 622.14) 1 1024.2915 1024.2915@1.2175789 + 424.2076@1.2495593 1.2495593 (425.2149, 1479.54) 1 424.2076 424.2076@1.2495593 + 275.2207@1.2565548 1.2565548 (568.475, 1801.64)(276.2282, 1846.9) 1 275.2207 275.2207@1.2565548 + 358.2642@1.2575543 1.2575543 (359.2715, 6457.45)(360.2727, 3131.82) 1 358.2642 358.2642@1.2575543 + 580.5149@1.2625512 1.2625512 (581.5221, 5348.2)(582.5195, 2119.5)(583.5038, 3042.44)(603.5047, 1266.09) 1 580.5149 580.5149@1.2625512 + 1187.3114@1.2715454 1.2715454 (1188.3187, 939.89)(1189.3177, 1101.16)(1190.315, 1072.43) 1 1187.3114 1187.3114@1.2715454 + 1261.3286@1.2865359 1.2865359 (1262.3359, 1056.66)(1263.3337, 1263.76)(1264.3352, 1010.89) 1 1261.3286 1261.3286@1.2865359 + 1319.3688@1.2985282 1.2985282 (1320.3761, 1909.53)(1321.3762, 1129.03)(1322.3735, 765.31) 1 1319.3688 1319.3688@1.2985282 + 1283.3398@1.3015263 1.3015263 (1284.3472, 4452.08)(1285.3464, 2273.21)(1286.3419, 810.94) 1 1283.3398 1283.3398@1.3015263 + 247.0686@1.3524926 1.3524926 (248.0758, 1783.34) 1 247.0686 247.0686@1.3524926 + 208.0252@1.3564898 1.3564898 (209.0325, 1447.24) 1 208.0252 208.0252@1.3564898 + 819.4916@1.369481 1.369481 (820.4989, 2813.08)(821.5019, 1402.19) 1 819.4916 819.4916@1.369481 + 1391.3898@1.3754768 1.3754768 (1392.3971, 639.91)(1393.3958, 617.93)(1394.3956, 788.37) 1 1391.3898 1391.3898@1.3754768 + 225.1591@1.5603399 1.5603399 (226.1664, 3795.05)(227.1736, 749.82) 1 225.1591 225.1591@1.5603399 + 123.0889@1.5823224 1.5823224 (124.0961, 3365.25) 1 123.0889 123.0889@1.5823224 + 181.1315@1.5973103 1.5973103 (182.1387, 3296.26)(183.1415, 846.67) 1 181.1315 181.1315@1.5973103 + 438.1879@2.0708578 2.0708578 (439.1952, 1237.24) 1 438.1879 438.1879@2.0708578 + 250.1032@2.16575 2.16575 (251.1105, 5224.35) 1 250.1032 250.1032@2.16575 + 283.1969@2.2935958 2.2935958 (284.2042, 1161.41) 1 283.1969 283.1969@2.2935958 + 275.9874@2.830822 2.830822 (276.9947, 2236.01) 1 275.9874 275.9874@2.830822 + 323.139@3.0274856 3.0274856 (324.1463, 1370.94) 1 323.139 323.139@3.0274856 + 455.1334@3.0624228 3.0624228 (456.1407, 1548.15) 1 455.1334 455.1334@3.0624228 + 543.1642@3.1342902 3.1342902 (544.1715, 1854.31) 1 543.1642 543.1642@3.1342902 + 963.6991@3.740004 3.740004 (964.7064, 1015.0) 1 963.6991 963.6991@3.740004 + 695.9929@3.808838 3.808838 (697.0002, 1175.2) 1 695.9929 695.9929@3.808838 + 751.5357@3.911582 3.911582 (752.5429, 1653.51)(753.5473, 933.66) 1 751.5357 751.5357@3.911582 + 677.4781@3.9764154 3.9764154 (678.4854, 3563.0)(679.4861, 806.86) 1 677.4781 677.4781@3.9764154 + 478.0844@4.1798677 4.1798677 (479.0916, 2051.35) 1 478.0844 478.0844@4.1798677 + 629.4484@4.223745 4.223745 (630.4557, 2425.22)(631.456, 937.01) 1 629.4484 629.4484@4.223745 + 745.8733@4.227733 4.227733 (746.8806, 1769.47) 1 745.8733 745.8733@4.227733 + 522.3383@4.2456822 4.2456822 (523.3456, 1364.12) 1 522.3383 522.3383@4.2456822 + 549.4117@4.262634 4.262634 (550.419, 3332.73)(551.4136, 776.59)(552.4245, 1845.96) 1 549.4117 549.4117@4.262634 + 460.2784@4.345393 4.345393 (921.5616, 1235.98)(922.5637, 701.66)(461.2887, 842.6) 1 460.2784 460.2784@4.345393 + 697.4921@4.455064 4.455064 (698.4994, 1033.23)(699.5003, 864.6) 1 697.4921 697.4921@4.455064 + 933.5385@4.6245317 4.6245317 (934.5451, 1706.39)(935.5568, 1227.59)(956.5325, 757.8) 1 933.5385 933.5385@4.6245317 + 345.2158@4.7232084 4.7232084 (346.2231, 1873.23)(347.2287, 838.79) 1 345.2158 345.2158@4.7232084 + 371.2302@4.787991 4.787991 (372.2375, 2130.15)(373.2398, 711.65) 1 371.2302 371.2302@4.787991 + 293.9318@5.28816 5.28816 (294.9391, 2060.99) 1 293.9318 293.9318@5.28816 + 1259.8203@5.4186373 5.4186373 (1260.8276, 999.52)(1261.8221, 1231.17)(1262.826, 1253.59) 1 1259.8203 1259.8203@5.4186373 + 1273.3173@5.4246125 5.4246125 (1274.3246, 1302.65)(1275.3269, 1358.73)(1276.3339, 1092.66) 1 1273.3173 1273.3173@5.4246125 + 850.6195@5.489346 5.489346 (851.6268, 2131.49)(852.6064, 2290.63) 1 850.6195 850.6195@5.489346 + 1594.1643@5.5162334 5.5162334 (1595.1716, 2759.46)(1596.1802, 1826.92)(1597.173, 1219.93) 1 1594.1643 1594.1643@5.5162334 + 839.503@5.5321665 5.5321665 (840.5103, 1373.36)(841.5038, 843.6) 1 839.503 839.503@5.5321665 + 1235.3461@5.5560656 5.5560656 (1236.3533, 2762.36)(1237.3593, 1570.1) 1 1235.3461 1235.3461@5.5560656 + 902.5435@5.5620403 5.5620403 (903.5508, 1172.57)(904.5543, 1061.69) 1 902.5435 902.5435@5.5620403 + 828.6114@5.5620403 5.5620403 (829.6187, 1678.14) 1 828.6114 828.6114@5.5620403 + 801.6056@5.6496634 5.6496634 (802.6128, 2131.19)(803.6076, 1030.61) 1 801.6056 801.6056@5.6496634 + 783.5754@5.697455 5.697455 (1568.1543, 1062.55)(1569.1603, 991.37)(1570.1647, 624.0)(784.5827, 19813.94) 1 783.5754 783.5754@5.697455 + 817.5447@5.7442474 5.7442474 (818.552, 1994.99)(819.5656, 1103.47) 1 817.5447 817.5447@5.7442474 + 797.6076@5.745243 5.745243 (798.6149, 1552.24)(799.6172, 783.51) 1 797.6076 797.6076@5.745243 + 1449.7155@5.8149295 5.8149295 (1450.7228, 2297.29) 1 1449.7155 1449.7155@5.8149295 + 831.5755@5.830857 5.830857 (832.5828, 3269.16)(833.5875, 1142.44) 1 831.5755 831.5755@5.830857 + 227.0746@5.8507657 5.8507657 (228.0818, 1649.93) 1 227.0746 227.0746@5.8507657 + 161.1052@5.913476 5.913476 (162.1125, 15845.03)(163.1201, 2354.56) 1 161.1052 161.1052@5.913476 + 493.8019@5.930397 5.930397 (494.8091, 2196.6) 1 493.8019 493.8019@5.930397 + 847.5287@6.193125 6.193125 (848.536, 2036.5)(849.5378, 1119.1) 1 847.5287 847.5287@6.193125 + 746.594@6.6636295 6.6636295 (747.6077, 912.43)(729.5901, 2976.87)(730.5937, 1472.6)(731.6003, 858.69) 1 746.594 746.594@6.6636295 + 588.3225@6.7083774 6.7083774 (1177.6448, 1167.85)(1178.6572, 899.99)(1179.67, 784.61)(589.333, 1012.02) 1 588.3225 588.3225@6.7083774 + 575.3788@6.7113605 6.7113605 (576.3861, 2370.69)(577.3721, 1206.1) 1 575.3788 575.3788@6.7113605 + 1057.1624@6.7839456 6.7839456 (1058.1696, 2219.65)(1059.1768, 2569.88) 1 1057.1624 1057.1624@6.7839456 + 1091.6483@6.787922 6.787922 (1092.6556, 1589.95)(1093.657, 1647.47)(1094.6598, 1399.69) 1 1091.6483 1091.6483@6.787922 + 216.0096@6.898277 6.898277 (217.0169, 1494.51) 1 216.0096 216.0096@6.898277 + 175.9462@7.077195 7.077195 (176.9534, 1211.21) 1 175.9462 175.9462@7.077195 + 116.0586@7.0821643 7.0821643 (117.0659, 6020.66)(118.0677, 694.43) 1 116.0586 116.0586@7.0821643 + 143.0762@7.6395035 7.6395035 (144.0835, 2352.65) 1 143.0762 143.0762@7.6395035 + 141.9312@7.692135 7.692135 (142.9384, 3117.85) 1 141.9312 141.9312@7.692135 + 231.9011@7.72391 7.72391 (232.9084, 2506.76) 1 231.9011 231.9011@7.72391 + 497.8937@10.629411 10.629411 (498.901, 3220.45) 1 497.8937 497.8937@10.629411 + 565.8799@10.631387 10.631387 (566.8872, 2762.28) 1 565.8799 565.8799@10.631387 + 443.9216@10.631387 10.631387 (444.9289, 1751.32) 1 443.9216 443.9216@10.631387 + 429.9054@10.631387 10.631387 (430.9127, 4765.85) 1 429.9054 429.9054@10.631387 + 400.7359@0.7498886 0.7498886 (401.7432, 2817.71) 1 400.7359 400.7359@0.7498886 + 777.5046@0.93984616 0.93984616 (778.5119, 1932.01)(779.517, 892.18) 1 777.5046 777.5046@0.93984616 + 879.1779@1.0098281 1.0098281 (880.1823, 1733.65)(897.2139, 1955.85)(898.2193, 1029.6) 1 879.1779 879.1779@1.0098281 + 597.1586@1.0238243 1.0238243 (598.1659, 10104.76)(599.166, 3970.89)(600.1614, 2495.3) 1 597.1586 597.1586@1.0238243 + 667.5401@1.024824 1.024824 (668.5462, 4254.23)(669.5491, 1964.69)(690.5326, 1552.1)(691.5336, 1041.44)(692.5315, 1302.83) 1 667.5401 667.5401@1.024824 + 582.4286@1.0698115 1.0698115 (583.4359, 2647.91) 1 582.4286 582.4286@1.0698115 + 423.2593@1.0698115 1.0698115 (424.2666, 2203.39) 1 423.2593 423.2593@1.0698115 + 577.4201@1.0728105 1.0728105 (578.4274, 4201.41)(579.4209, 2579.79)(580.4209, 4387.64)(581.4188, 2639.9)(582.4337, 5160.02) 1 577.4201 577.4201@1.0728105 + 393.1792@1.0808082 1.0808082 (394.1838, 957.36)(376.1766, 3774.56)(377.1837, 1600.7) 1 393.1792 393.1792@1.0808082 + 649.369@1.0808082 1.0808082 (650.3763, 2414.33)(651.3776, 1832.02) 1 649.369 649.369@1.0808082 + 645.4079@1.0838073 1.0838073 (646.4116, 1903.2)(628.4051, 4103.3)(629.3993, 2070.85) 1 645.4079 645.4079@1.0838073 + 150.0675@1.0928048 1.0928048 (151.0748, 1991.0) 1 150.0675 150.0675@1.0928048 + 357.1793@1.0968035 1.0968035 (358.1846, 1424.45)(340.1765, 1838.03)(380.1712, 668.28) 1 357.1793 357.1793@1.0968035 + 501.2554@1.1078004 1.1078004 (502.2627, 1558.17)(503.2527, 782.55) 1 501.2554 501.2554@1.1078004 + 251.1952@1.1137985 1.1137985 (252.2025, 1328.39) 1 251.1952 251.1952@1.1137985 + 80.026@1.115798 1.115798 (81.0333, 1631.09) 1 80.026 80.026@1.115798 + 338.1863@1.1247952 1.1247952 (339.1936, 1935.08) 1 338.1863 338.1863@1.1247952 + 789.5225@1.1247952 1.1247952 (790.5298, 1053.04)(791.5419, 855.06) 1 789.5225 789.5225@1.1247952 + 665.4058@1.131793 1.131793 (666.4131, 1048.98)(667.402, 828.12) 1 665.4058 665.4058@1.131793 + 393.3425@1.1327927 1.1327927 (394.3497, 4890.65)(395.3549, 2355.23)(396.344, 2084.2) 1 393.3425 393.3425@1.1327927 + 398.3192@1.157785 1.157785 (399.3265, 4417.74) 1 398.3192 398.3192@1.157785 + 595.4761@1.1667823 1.1667823 (596.4834, 1264.01)(597.5012, 866.2) 1 595.4761 595.4761@1.1667823 + 521.3212@1.20477 1.20477 (522.333, 1583.09)(504.3175, 9409.93)(505.321, 3127.72)(506.3227, 2026.71) 1 521.3212 521.3212@1.20477 + 385.3524@1.2077689 1.2077689 (386.3596, 3236.75)(387.3627, 975.14) 1 385.3524 385.3524@1.2077689 + 299.2439@1.2414329 1.2414329 (599.494, 1459.19)(300.25208, 2167.3198)(301.2526, 1057.06)(302.2451, 5048.07)(303.2484, 1255.14)(282.2418, 1947.76) 2 299.2439 299.2439@1.2414329 + 669.4285@1.2597514 1.2597514 (670.4376, 675.06)(652.4245, 928.8)(653.4107, 695.81) 1 669.4285 669.4285@1.2597514 + 472.3501@1.3427217 1.3427217 (473.3565, 946.83)(495.3397, 2276.95)(496.3435, 1339.74) 1 472.3501 472.3501@1.3427217 + 212.1601@1.349719 1.349719 (213.1674, 11327.88) 1 212.1601 212.1601@1.349719 + 565.4519@1.4356854 1.4356854 (566.4546, 571.01)(548.4498, 1390.2) 1 565.4519 565.4519@1.4356854 + 266.1134@1.4476805 1.4476805 (267.1207, 4105.21)(268.1245, 442.88) 1 266.1134 266.1134@1.4476805 + 128.0454@1.5826219 1.5826219 (129.0527, 8187.9) 1 128.0454 128.0454@1.5826219 + 779.5365@1.6395953 1.6395953 (780.5435, 2483.66)(781.5515, 1456.0)(802.5266, 720.01) 1 779.5365 779.5365@1.6395953 + 234.1194@1.6995659 1.6995659 (235.1267, 6567.91)(236.1321, 1199.62) 1 234.1194 234.1194@1.6995659 + 312.195@2.0253806 2.0253806 (313.2023, 2398.52) 1 312.195 312.195@2.0253806 + 789.5811@2.8007452 2.8007452 (790.5884, 3542.36)(791.5908, 1758.75) 1 789.5811 789.5811@2.8007452 + 151.0299@4.0460105 4.0460105 (152.0349, 723.07)(134.027, 2387.21) 1 151.0299 151.0299@4.0460105 + 297.3389@4.267592 4.267592 (298.3462, 37757.88)(299.3493, 8731.92)(300.3526, 1064.5) 1 297.3389 297.3389@4.267592 + 1036.768@4.292543 4.292543 (1037.7751, 1189.92) 1 1036.768 1036.768@4.292543 + 534.9893@4.316495 4.316495 (535.9966, 1268.73) 1 534.9893 534.9893@4.316495 + 285.2669@4.3713837 4.3713837 (286.2742, 2263.99)(287.2724, 739.39) 1 285.2669 285.2669@4.3713837 + 368.1947@4.868267 4.868267 (369.202, 2411.77)(370.2057, 830.53) 1 368.1947 368.1947@4.868267 + 987.5328@5.3779044 5.3779044 (988.5401, 967.16)(989.5225, 732.72) 1 987.5328 987.5328@5.3779044 + 947.6183@5.402832 5.402832 (948.6255, 1261.79) 1 947.6183 947.6183@5.402832 + 957.642@5.403829 5.403829 (958.6493, 1118.1) 1 957.642 957.642@5.403829 + 902.6516@5.407818 5.407818 (903.6589, 3226.8) 1 902.6516 902.6516@5.407818 + 1281.327@5.4157944 5.4157944 (1282.3342, 984.94)(1283.3293, 1102.74)(1284.3358, 967.8)(1285.3346, 584.16)(1286.3265, 591.54) 1 1281.327 1281.327@5.4157944 + 1268.3223@5.422774 5.422774 (1269.3296, 1078.2)(1270.3329, 1340.01)(1271.3319, 1197.49) 1 1268.3223 1268.3223@5.422774 + 796.5527@5.422774 5.422774 (797.56, 16991.15) 1 796.5527 796.5527@5.422774 + 1289.8141@5.427759 5.427759 (1290.8214, 1098.33)(1291.8257, 1018.34)(1292.8285, 815.99) 1 1289.8141 1289.8141@5.427759 + 1652.6135@5.4327445 5.4327445 (1653.6208, 1062.04)(1654.6215, 983.56) 1 1652.6135 1652.6135@5.4327445 + 1656.1201@5.4367323 5.4367323 (1657.1274, 1664.32)(1658.1317, 1581.49)(1659.14, 1445.62) 1 1656.1201 1656.1201@5.4367323 + 907.5687@5.439724 5.439724 (908.576, 13059.8)(909.5744, 3828.91) 1 907.5687 907.5687@5.439724 + 403.7813@5.4554434 5.4554434 (404.79456, 1364.51)(405.8019, 893.71)(386.7778, 10425.46)(387.7809, 1621.6) 2 403.7813 403.7813@5.4554434 + 1569.092@5.4574394 5.4574394 (1570.0999, 1289.8)(1571.1094, 1141.32)(1572.1183, 4903.2197)(1573.1216, 4330.265)(1574.1283, 5372.45)(1575.133, 3434.44) 2 1569.092 1569.092@5.4574394 + 891.5375@5.485587 5.485587 (892.5448, 9092.55)(893.5458, 3613.82)(894.5414, 6184.71)(895.5428, 3163.92) 1 891.5375 891.5375@5.485587 + 1175.8285@5.501539 5.501539 (1176.8358, 937.08)(1177.836, 842.2)(1178.8282, 1019.76) 1 1175.8285 1175.8285@5.501539 + 1606.1204@5.516494 5.516494 (1607.1276, 1536.06)(1608.1298, 1503.89)(1609.1338, 1123.88) 1 1606.1204 1606.1204@5.516494 + 897.5038@5.535436 5.535436 (898.5111, 2307.93)(899.5141, 1372.74) 1 897.5038 897.5038@5.535436 + 811.6055@5.565345 5.565345 (812.6128, 131112.03)(813.6164, 56951.49) 1 811.6055 811.6055@5.565345 + 1184.8416@5.608212 5.608212 (1185.8488, 1152.39) 1 1184.8416 1184.8416@5.608212 + 800.0629@5.6331344 5.6331344 (801.0701, 1315.91)(802.0743, 1089.07)(803.063, 1460.05) 1 800.0629 800.0629@5.6331344 + 1207.841@5.6371217 5.6371217 (1208.8481, 1453.19)(1209.8501, 649.01)(1210.8448, 717.76) 1 1207.841 1207.841@5.6371217 + 947.6085@5.6730084 5.6730084 (948.6158, 936.08)(949.5994, 841.53) 1 947.6085 947.6085@5.6730084 + 1230.3457@5.675999 5.675999 (1231.353, 954.57) 1 1230.3457 1230.3457@5.675999 + 1573.1877@5.680983 5.680983 (1574.1951, 1409.39) 1 1573.1877 1573.1877@5.680983 + 651.4112@5.787638 5.787638 (652.4173, 2780.66)(653.4196, 1384.07)(674.4045, 762.55) 1 651.4112 651.4112@5.787638 + 855.5618@5.790628 5.790628 (856.5691, 18382.93)(857.5756, 8826.1)(858.5828, 3533.14)(859.575, 1397.84) 1 855.5618 855.5618@5.790628 + 874.0474@5.8265095 5.8265095 (875.0546, 577.38)(876.0625, 644.42)(877.0703, 2705.43)(878.072, 1347.89)(879.0583, 928.7) 1 874.0474 874.0474@5.8265095 + 970.5211@5.836476 5.836476 (971.5283, 1188.69) 1 970.5211 970.5211@5.836476 + 676.9616@5.845446 5.845446 (677.9689, 1645.18) 1 676.9616 676.9616@5.845446 + 1001.5253@5.9600563 5.9600563 (1002.5325, 1008.0)(1003.5178, 793.79) 1 1001.5253 1001.5253@5.9600563 + 689.3472@5.9680285 5.9680285 (690.3545, 3005.87)(691.3465, 1027.78) 1 689.3472 689.3472@5.9680285 + 784.4139@5.9690256 5.9690256 (785.4211, 1126.01) 1 784.4139 784.4139@5.9690256 + 735.4461@5.9809837 5.9809837 (736.4533, 1421.41)(737.4533, 282.01)(738.4582, 168.1) 1 735.4461 735.4461@5.9809837 + 758.4135@6.1862483 6.1862483 (759.4207, 1279.95) 1 758.4135 758.4135@6.1862483 + 653.392@6.253996 6.253996 (654.3992, 2875.6)(655.4007, 1303.24) 1 653.392 653.392@6.253996 + 647.34@6.3277154 6.3277154 (648.3473, 2692.78) 1 647.34 647.34@6.3277154 + 803.473@6.3277154 6.3277154 (804.4765, 1127.38)(805.4798, 696.07)(806.4765, 1390.62)(786.4726, 1699.69)(787.48, 817.17)(788.4734, 1204.8) 1 803.473 803.473@6.3277154 + 658.3691@6.4781265 6.4781265 (659.3764, 4372.12)(660.387, 2936.31)(661.3964, 1244.85) 1 658.3691 658.3691@6.4781265 + 750.4826@6.60262 6.60262 (751.4899, 2624.27) 1 750.4826 750.4826@6.60262 + 623.3161@6.702203 6.702203 (624.3234, 3142.92)(625.3215, 965.82)(626.3249, 353.19) 1 623.3161 623.3161@6.702203 + 820.4602@6.719131 6.719131 (821.4712, 1202.47)(838.4927, 2082.16)(839.4954, 992.65)(840.5052, 1446.06) 1 820.4602 820.4602@6.719131 + 855.0025@6.727097 6.727097 (856.0049, 847.25)(838.001, 1683.46) 1 855.0025 855.0025@6.727097 + 1097.7382@6.7300844 6.7300844 (1098.7455, 2051.99)(1099.746, 1022.79) 1 1097.7382 1097.7382@6.7300844 + 1103.7023@6.7519903 6.7519903 (1104.7096, 2654.21) 1 1103.7023 1103.7023@6.7519903 + 688.3793@7.0874844 7.0874844 (689.3866, 823.49)(690.4076, 513.57) 1 688.3793 688.3793@7.0874844 + 554.3404@7.3034453 7.3034453 (555.3477, 1562.65) 1 554.3404 554.3404@7.3034453 + 666.42@7.8227158 7.8227158 (667.4273, 1927.65)(668.4315, 528.91) 1 666.42 666.42@7.8227158 + 377.1221@8.277044 8.277044 (378.1294, 1795.18) 1 377.1221 377.1221@8.277044 + 192.1994@10.730456 10.730456 (193.2067, 1457.59) 1 192.1994 192.1994@10.730456 + 381.9687@0.88606536 0.88606536 (382.9757, 1247.43)(404.9581, 1534.32) 1 381.9687 381.9687@0.88606536 + 670.1785@1.0180832 1.0180832 (671.1857, 3030.29) 1 670.1785 670.1785@1.0180832 + 671.1723@1.0190834 1.0190834 (672.1796, 3259.57)(673.1748, 1605.85)(674.1726, 1044.75) 1 671.1723 671.1723@1.0190834 + 973.9548@1.059089 1.059089 (974.9621, 3852.5)(975.963, 2810.07) 1 973.9548 973.9548@1.059089 + 640.4313@1.0670902 1.0670902 (641.4386, 1449.59) 1 640.4313 640.4313@1.0670902 + 721.5044@1.0760914 1.0760914 (722.5117, 1980.29)(723.5183, 982.1)(724.528, 1544.6)(704.4996, 1499.91)(705.4967, 1001.8)(744.4975, 1481.95) 1 721.5044 721.5044@1.0760914 + 236.215@1.0800921 1.0800921 (237.2222, 1409.74)(259.2043, 2071.12)(260.2021, 851.52) 1 236.215 236.215@1.0800921 + 372.2364@1.0800921 1.0800921 (762.5055, 1478.32)(763.5108, 1157.29)(767.468, 714.57)(373.2436, 1468.11) 1 372.2364 372.2364@1.0800921 + 344.2345@1.0820923 1.0820923 (345.2417, 5846.37) 1 344.2345 344.2345@1.0820923 + 633.4968@1.0980947 1.0980947 (634.504, 3019.16)(635.5, 1736.41) 1 633.4968 633.4968@1.0980947 + 564.4369@1.0990947 1.0990947 (565.4442, 4730.19) 1 564.4369 564.4369@1.0990947 + 435.391@1.1260988 1.1260988 (436.3993, 1338.46)(458.3796, 2687.89) 1 435.391 435.391@1.1260988 + 695.4776@1.1310996 1.1310996 (696.4849, 1054.5)(697.5057, 593.5) 1 695.4776 695.4776@1.1310996 + 501.3305@1.1361003 1.1361003 (502.3376, 2930.2)(484.3259, 4468.72)(485.3255, 2534.98)(524.3254, 1343.25) 1 501.3305 501.3305@1.1361003 + 288.1117@1.1521026 1.1521026 (289.119, 2247.44) 1 288.1117 288.1117@1.1521026 + 412.2817@1.2101115 1.2101115 (413.289, 3042.0) 1 412.2817 412.2817@1.2101115 + 385.2857@1.2371156 1.2371156 (386.293, 4599.68) 1 385.2857 385.2857@1.2371156 + 320.2469@1.2411163 1.2411163 (321.2542, 7715.55)(322.2566, 3541.41)(323.2428, 2619.07) 1 320.2469 320.2469@1.2411163 + 437.2286@1.2531182 1.2531182 (438.2359, 2686.97)(439.233, 1479.89)(440.2294, 2505.39) 1 437.2286 437.2286@1.2531182 + 557.4303@1.2541182 1.2541182 (558.4344, 2482.55)(559.4312, 1386.31)(560.4157, 3262.85)(580.4228, 2229.2)(581.4404, 1292.53) 1 557.4303 557.4303@1.2541182 + 562.3758@1.2571187 1.2571187 (563.383, 1113.68) 1 562.3758 562.3758@1.2571187 + 340.2633@1.2581189 1.2581189 (341.2706, 7047.05) 1 340.2633 340.2633@1.2581189 + 217.1314@1.3741374 1.3741374 (218.1375, 1104.95)(200.1283, 7080.45) 1 217.1314 217.1314@1.3741374 + 371.2658@1.4061427 1.4061427 (372.273, 3699.33)(373.2757, 412.34) 1 371.2658 371.2658@1.4061427 + 455.3029@1.4551508 1.4551508 (911.6156, 1251.15)(912.6193, 868.31)(456.3066, 778.37) 1 455.3029 455.3029@1.4551508 + 305.2727@1.480155 1.480155 (306.28, 1096.27) 1 305.2727 305.2727@1.480155 + 1423.378@1.5021586 1.5021586 (1424.3854, 707.03)(1425.3906, 895.91)(1426.3877, 884.02) 1 1423.378 1423.378@1.5021586 + 787.5389@1.5021586 1.5021586 (788.5462, 1768.0)(789.5494, 942.29) 1 787.5389 787.5389@1.5021586 + 785.5234@1.5511669 1.5511669 (786.5306, 1220.41)(787.5345, 684.62) 1 785.5234 785.5234@1.5511669 + 412.1926@1.5681698 1.5681698 (413.1994, 1046.93)(430.227, 2987.52)(431.219, 178.16)(432.2283, 1985.77)(435.1807, 1310.11) 1 412.1926 412.1926@1.5681698 + 636.4738@1.5731707 1.5731707 (637.481, 1058.57) 1 636.4738 636.4738@1.5731707 + 384.2277@1.5901736 1.5901736 (385.235, 1644.81)(386.2376, 756.34)(387.2196, 4136.19) 1 384.2277 384.2277@1.5901736 + 281.1916@1.6201787 1.6201787 (282.1989, 5998.6)(299.2254, 3920.69) 1 281.1916 281.1916@1.6201787 + 314.2136@2.3323028 2.3323028 (315.2209, 2717.58) 1 314.2136 314.2136@2.3323028 + 335.045@2.6833596 2.6833596 (336.0522, 1046.11) 1 335.045 335.045@2.6833596 + 478.1128@3.0554104 3.0554104 (479.1201, 2022.53) 1 478.1128 478.1128@3.0554104 + 633.1845@3.077413 3.077413 (634.1918, 1159.59) 1 633.1845 633.1845@3.077413 + 292.0681@3.1244185 3.1244185 (293.0754, 2407.34)(294.0903, 825.2) 1 292.0681 292.0681@3.1244185 + 301.0849@3.3284395 3.3284395 (302.0921, 917.5) 1 301.0849 301.0849@3.3284395 + 498.3649@3.858468 3.858468 (499.3722, 3352.42)(500.3774, 1750.31) 1 498.3649 498.3649@3.858468 + 258.1009@4.549432 4.549432 (259.1082, 3285.83)(260.1125, 951.55)(261.1152, 1334.38) 1 258.1009 258.1009@4.549432 + 593.0352@4.5594306 4.5594306 (594.0425, 1330.51) 1 593.0352 593.0352@4.5594306 + 983.5502@4.603425 4.603425 (984.5575, 4697.26)(985.5614, 941.83) 1 983.5502 983.5502@4.603425 + 851.5532@4.7374043 4.7374043 (852.5605, 1738.96)(853.5686, 1056.5) 1 851.5532 851.5532@4.7374043 + 825.5809@5.326259 5.326259 (826.5881, 1893.38) 1 825.5809 825.5809@5.326259 + 147.0896@5.347252 5.347252 (148.0966, 4806.05)(130.0868, 11595.82)(131.0854, 1643.53) 1 147.0896 147.0896@5.347252 + 971.4984@5.3992343 5.3992343 (972.5057, 931.15)(973.5037, 605.07)(974.5254, 800.2) 1 971.4984 971.4984@5.3992343 + 892.4645@5.41023 5.41023 (893.4717, 1102.73) 1 892.4645 892.4645@5.41023 + 1284.31@5.4502153 5.4502153 (1285.3173, 799.78)(1286.3264, 878.17)(1287.3185, 916.5) 1 1284.31 1284.31@5.4502153 + 813.5982@5.4632106 5.4632106 (814.6055, 37064.38)(815.6064, 16040.25) 1 813.5982 813.5982@5.4632106 + 762.5252@5.46621 5.46621 (763.5325, 2060.1) 1 762.5252 762.5252@5.46621 + 1593.6107@5.4912004 5.4912004 (1594.618, 690.68)(1595.6127, 692.52)(1596.6212, 703.15) 1 1593.6107 1593.6107@5.4912004 + 813.6104@5.5631723 5.5631723 (814.6177, 14000.28)(815.6224, 3219.48) 1 813.6104 813.6104@5.5631723 + 767.0401@5.6171503 5.6171503 (768.0474, 975.92)(769.0573, 885.42) 1 767.0401 767.0401@5.6171503 + 1166.3325@5.6181498 5.6181498 (1167.3397, 1129.71)(1168.3387, 1005.6) 1 1166.3325 1166.3325@5.6181498 + 495.7562@5.8250556 5.8250556 (992.5188, 1076.75)(993.516, 741.09)(496.7642, 843.56)(478.7528, 610.78) 1 495.7562 495.7562@5.8250556 + 921.5035@5.8340516 5.8340516 (922.5107, 1533.2)(923.5216, 1339.43)(924.5259, 3505.54)(925.529, 1968.75) 1 921.5035 921.5035@5.8340516 + 635.3809@5.882027 5.882027 (636.3881, 1889.07)(637.391, 868.0)(638.4014, 1325.02) 1 635.3809 635.3809@5.882027 + 949.649@5.899019 5.899019 (950.6563, 939.2) 1 949.649 949.649@5.899019 + 705.5292@5.9010177 5.9010177 (706.5365, 1011.32) 1 705.5292 705.5292@5.9010177 + 728.4809@5.9529905 5.9529905 (729.4882, 2844.84)(730.4915, 1791.13)(731.4941, 927.08) 1 728.4809 728.4809@5.9529905 + 948.5245@6.169866 6.169866 (949.5317, 981.18) 1 948.5245 948.5245@6.169866 + 756.4406@6.3217688 6.3217688 (757.4453, 1151.11)(758.4569, 605.27)(759.458, 1021.54)(774.4767, 991.83) 1 756.4406 756.4406@6.3217688 + 634.3673@6.3687367 6.3687367 (635.3746, 3684.57) 1 634.3673 634.3673@6.3687367 + 797.4837@6.375732 6.375732 (798.491, 1645.17)(799.4927, 782.96)(800.4755, 706.45) 1 797.4837 797.4837@6.375732 + 736.4433@6.5296216 6.5296216 (737.4506, 1031.5)(738.4704, 587.27) 1 736.4433 736.4433@6.5296216 + 582.2955@6.648529 6.648529 (583.2997, 1758.51)(600.3296, 12005.7)(601.3337, 3872.78)(602.3426, 12512.08)(603.3463, 4827.42)(604.3523, 1431.35) 1 582.2955 582.2955@6.648529 + 723.5361@6.649528 6.649528 (724.5434, 4196.18) 1 723.5361 723.5361@6.649528 + 791.4544@6.6525254 6.6525254 (792.4617, 1259.99)(793.4732, 854.28)(794.454, 476.68) 1 791.4544 791.4544@6.6525254 + 727.4099@6.700487 6.700487 (728.4172, 2131.37)(729.4234, 1260.7) 1 727.4099 727.4099@6.700487 + 847.5081@6.731461 6.731461 (848.5154, 1996.89)(849.5302, 1667.28)(850.5172, 1744.85)(851.5075, 423.09)(852.5147, 1560.87)(853.5101, 299.0) 1 847.5081 847.5081@6.731461 + 830.9833@6.779421 6.779421 (831.9905, 1523.37)(832.9959, 1345.16)(834.007, 1511.73) 1 830.9833 830.9833@6.779421 + 276.0667@6.8943195 6.8943195 (277.0739, 2729.91) 1 276.0667 276.0667@6.8943195 + 826.5472@6.9083066 6.9083066 (827.5545, 1250.36) 1 826.5472 826.5472@6.9083066 + 197.9939@7.0551686 7.0551686 (199.0012, 7558.24)(200.0034, 964.11)(200.9966, 2581.28) 1 197.9939 197.9939@7.0551686 + 557.309@7.0661573 7.0661573 (558.3162, 9707.09)(559.3196, 3677.67) 1 557.309 557.309@7.0661573 + 613.3011@7.0711527 7.0711527 (614.3084, 2317.45)(615.3128, 857.68)(616.323, 1112.24) 1 613.3011 613.3011@7.0711527 + 664.3039@7.1580653 7.1580653 (665.3112, 1196.8)(666.3165, 1157.19) 1 664.3039 664.3039@7.1580653 + 622.2949@7.4137883 7.4137883 (623.3022, 1157.5) 1 622.2949 622.2949@7.4137883 + METABOLITES_END #END