#METABOLOMICS WORKBENCH bhoffmann18_20230626_900001 DATATRACK_ID:4116 STUDY_ID:ST002758 ANALYSIS_ID:AN004475 PROJECT_ID:PR001719
VERSION 1
CREATED_ON June 28, 2023, 12:09 pm
#PROJECT
PR:PROJECT_TITLE SD Rat Metabolomics in Response to Salt
PR:PROJECT_TYPE Untargeted Four-Mode Metabolomics
PR:PROJECT_SUMMARY This study analyzed the effects of a high salt (HS; 4.0% NaCl) diet upon the
PR:PROJECT_SUMMARY kidney, arterial plasma, and renal venous plasma metabolomic profiles of normal
PR:PROJECT_SUMMARY Sprague-Dawley rats.
PR:INSTITUTE Medical College of Wisconsin
PR:DEPARTMENT Physiology
PR:LABORATORY Dr. Allen W. Cowley
PR:LAST_NAME Cowley
PR:FIRST_NAME Allen
PR:ADDRESS 8701 W. Watertown Plank Rd, Milwaukee, WI 53226
PR:EMAIL cowley@mcw.edu
PR:PHONE 414-955-8277
PR:FUNDING_SOURCE NHLBI
PR:CONTRIBUTORS Satoshi Shimada, Brian R. Hoffmann, Chun Yang, Theresa Kurth, Andrew S. Greene,
PR:CONTRIBUTORS Mingyu Liang, Ranjan K. Dash, Allen W. Cowley Jr
#STUDY
ST:STUDY_TITLE Metabolic responses of normal rat kidneys to a high salt intake (Plasma)
ST:STUDY_SUMMARY In this study, novel methods were developed which allowed continuous (24/7)
ST:STUDY_SUMMARY measurement of arterial blood pressure and renal blood flow in freely moving
ST:STUDY_SUMMARY rats and the intermittent collection of arterial and renal venous blood to
ST:STUDY_SUMMARY estimate kidney metabolic fluxes of O2 and metabolites. Specifically, the study
ST:STUDY_SUMMARY determined the effects of a high salt (HS; 4.0% NaCl) diet upon whole kidney O2
ST:STUDY_SUMMARY consumption and arterial and renal venous plasma metabolomic profiles of normal
ST:STUDY_SUMMARY Sprague-Dawley rats. A separate group of rats was studied to determine changes
ST:STUDY_SUMMARY in the cortex and outer medulla tissue metabolomic profiles before and following
ST:STUDY_SUMMARY the switch from a 0.4% to 4.0% NaCl diet.
ST:INSTITUTE Medical College of Wisconsin
ST:DEPARTMENT Physiology
ST:LABORATORY Dr. Allen W. Cowley
ST:LAST_NAME Cowley
ST:FIRST_NAME Allen
ST:ADDRESS 8701 W. Watertown Plank Rd, Milwaukee, WI 53226
ST:EMAIL cowley@mcw.edu
ST:STUDY_TYPE Time-course metabolomics experiment
ST:PHONE 4149558277
#SUBJECT
SU:SUBJECT_TYPE Mammal
SU:SUBJECT_SPECIES Rattus norvegicus
SU:TAXONOMY_ID 10116
#SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS 434 20211007_Cowley3_Plasma_22_73-434-HS14-A_C18pos Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_22_73-434-HS14-A_C18pos; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211007_Cowley3_Plasma_22_73-434-HS14-A_C18pos_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_22_73-434-HS14-A_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211007_Cowley3_Plasma_28_61-429-HS14-A_C18pos Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_28_61-429-HS14-A_C18pos; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211007_Cowley3_Plasma_28_61-429-HS14-A_C18pos_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_28_61-429-HS14-A_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211007_Cowley3_Plasma_29_37-417_HS14-A_C18pos_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_29_37-417_HS14-A_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211007_Cowley3_Plasma_29_37-417-HS14-A_C18pos Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_29_37-417-HS14-A_C18pos; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211007_Cowley3_Plasma_31_85-463-HS14-A_C18pos Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_31_85-463-HS14-A_C18pos; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211007_Cowley3_Plasma_31_85-463-HS14-A_C18pos_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_31_85-463-HS14-A_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211007_Cowley3_Plasma_37_49-421-HS14-A_C18pos Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_37_49-421-HS14-A_C18pos; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211007_Cowley3_Plasma_37_49-421-HS14-A_C18pos_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_37_49-421-HS14-A_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211007_Cowley3_Plasma_1_74-434-HS14-RV_C18pos Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_1_74-434-HS14-RV_C18pos; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211007_Cowley3_Plasma_1_74-434-HS14-RV_C18pos_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_1_74-434-HS14-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211007_Cowley3_Plasma_7_38-417-HS14-RV_C18pos Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_7_38-417-HS14-RV_C18pos; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211007_Cowley3_Plasma_7_38-417-HS14-RV_C18pos_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_7_38-417-HS14-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211007_Cowley3_Plasma_11_62-429-HS14-RV_C18pos Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_11_62-429-HS14-RV_C18pos; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211007_Cowley3_Plasma_11_62-429-HS14-RV_C18pos_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_11_62-429-HS14-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211007_Cowley3_Plasma_20_86-463-HS14-RV_C18pos Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_20_86-463-HS14-RV_C18pos; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211007_Cowley3_Plasma_20_86-463-HS14-RV_C18pos_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_20_86-463-HS14-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211007_Cowley3_Plasma_24_50-421-HS14-RV_C18pos Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_24_50-421-HS14-RV_C18pos; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211007_Cowley3_Plasma_24_50-421-HS14-RV_C18pos_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_24_50-421-HS14-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211007_Cowley3_Plasma_5_76-434-HS21-A_C18pos Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_5_76-434-HS21-A_C18pos; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211007_Cowley3_Plasma_5_76-434-HS21-A_C18pos_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_5_76-434-HS21-A_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211007_Cowley3_Plasma_10_88-463-HS21-A_C18pos Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_10_88-463-HS21-A_C18pos; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211007_Cowley3_Plasma_10_88-463-HS21-A_C18pos_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_10_88-463-HS21-A_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211007_Cowley3_Plasma_12_40-417-HS21-A_C18pos Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_12_40-417-HS21-A_C18pos; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211007_Cowley3_Plasma_12_40-417-HS21-A_C18pos_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_12_40-417-HS21-A_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211007_Cowley3_Plasma_30_52-421-HS21-A_C18pos Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_30_52-421-HS21-A_C18pos; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211007_Cowley3_Plasma_30_52-421-HS21-A_C18pos_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_30_52-421-HS21-A_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211007_Cowley3_Plasma_36_64-429-HS21-A_C18pos Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_36_64-429-HS21-A_C18pos; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211007_Cowley3_Plasma_36_64-429-HS21-A_C18pos_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_36_64-429-HS21-A_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211007_Cowley3_Plasma_3_65-429-HS21-RV_C18pos Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_3_65-429-HS21-RV_C18pos; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211007_Cowley3_Plasma_3_65-429-HS21-RV_C18pos_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_3_65-429-HS21-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211007_Cowley3_Plasma_13_89-463-HS21-RV_C18pos Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_13_89-463-HS21-RV_C18pos; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211007_Cowley3_Plasma_13_89-463-HS21-RV_C18pos_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_13_89-463-HS21-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211007_Cowley3_Plasma_17_53-421-HS21-RV_C18pos Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_17_53-421-HS21-RV_C18pos; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211007_Cowley3_Plasma_17_53-421-HS21-RV_C18pos_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_17_53-421-HS21-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211007_Cowley3_Plasma_35_41-417_HS21-RV_C18pos_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_35_41-417_HS21-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211007_Cowley3_Plasma_35_41-417-HS21-RV_C18pos Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_35_41-417-HS21-RV_C18pos; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211007_Cowley3_Plasma_38_77-434-HS21-RV_C18pos Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_38_77-434-HS21-RV_C18pos; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211007_Cowley3_Plasma_38_77-434-HS21-RV_C18pos_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_38_77-434-HS21-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211007_Cowley3_Plasma_8_70-434-HS7-A_C18pos Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_8_70-434-HS7-A_C18pos; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211007_Cowley3_Plasma_8_70-434-HS7-A_C18pos_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_8_70-434-HS7-A_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211007_Cowley3_Plasma_14_34-417-HS7-A_C18pos Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_14_34-417-HS7-A_C18pos; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211007_Cowley3_Plasma_14_34-417-HS7-A_C18pos_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_14_34-417-HS7-A_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211007_Cowley3_Plasma_23_82-463-HS7-A_C18pos Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_23_82-463-HS7-A_C18pos; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211007_Cowley3_Plasma_23_82-463-HS7-A_C18pos_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_23_82-463-HS7-A_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211007_Cowley3_Plasma_25_46-421-HS7-A_C18pos Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_25_46-421-HS7-A_C18pos; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211007_Cowley3_Plasma_25_46-421-HS7-A_C18pos_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_25_46-421-HS7-A_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211007_Cowley3_Plasma_26_58-429-HS7-A_C18pos Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_26_58-429-HS7-A_C18pos; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211007_Cowley3_Plasma_26_58-429-HS7-A_C18pos_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_26_58-429-HS7-A_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211007_Cowley3_Plasma_15_47-421-HS7-RV_C18pos Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_15_47-421-HS7-RV_C18pos; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211007_Cowley3_Plasma_15_47-421-HS7-RV_C18pos_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_15_47-421-HS7-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211007_Cowley3_Plasma_27_35-417-HS7-RV_C18pos Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_27_35-417-HS7-RV_C18pos; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211007_Cowley3_Plasma_27_35-417-HS7-RV_C18pos_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_27_35-417-HS7-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211007_Cowley3_Plasma_34_83-463-HS7-RV_C18pos Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_34_83-463-HS7-RV_C18pos; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211007_Cowley3_Plasma_34_83-463-HS7-RV_C18pos_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_34_83-463-HS7-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211007_Cowley3_Plasma_39_71-434-HS7-RV_C18pos Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_39_71-434-HS7-RV_C18pos; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211007_Cowley3_Plasma_39_71-434-HS7-RV_C18pos_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_39_71-434-HS7-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211007_Cowley3_Plasma_40_59-429-HS7-RV_C18pos Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_40_59-429-HS7-RV_C18pos; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211007_Cowley3_Plasma_40_59-429-HS7-RV_C18pos_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_40_59-429-HS7-RV_C18pos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211007_Cowley3_Plasma_6_31-417-LS-A_C18pos Treatment:LS | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_6_31-417-LS-A_C18pos; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211007_Cowley3_Plasma_6_31-417-LS-A_C18pos_rep Treatment:LS | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_6_31-417-LS-A_C18pos_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211007_Cowley3_Plasma_9_43-421-LS-A_C18pos Treatment:LS | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_9_43-421-LS-A_C18pos; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211007_Cowley3_Plasma_9_43-421-LS-A_C18pos_rep Treatment:LS | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_9_43-421-LS-A_C18pos_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211007_Cowley3_Plasma_16_79-463-LS-A_C18pos Treatment:LS | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_16_79-463-LS-A_C18pos; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211007_Cowley3_Plasma_16_79-463-LS-A_C18pos_rep Treatment:LS | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_16_79-463-LS-A_C18pos_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211007_Cowley3_Plasma_18_55-429-LS-A_C18pos Treatment:LS | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_18_55-429-LS-A_C18pos; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211007_Cowley3_Plasma_18_55-429-LS-A_C18pos_rep Treatment:LS | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_18_55-429-LS-A_C18pos_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211007_Cowley3_Plasma_33_67-434-LS-A_C18pos Treatment:LS | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_33_67-434-LS-A_C18pos; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211007_Cowley3_Plasma_33_67-434-LS-A_C18pos_rep Treatment:LS | Source:Artery Plasma Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_33_67-434-LS-A_C18pos_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211007_Cowley3_Plasma_2_56-429-LSRV_C18pos Treatment:LS | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_2_56-429-LSRV_C18pos; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211007_Cowley3_Plasma_2_56-429-LSRV_C18pos_rep Treatment:LS | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_2_56-429-LSRV_C18pos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211007_Cowley3_Plasma_4_80-463-LSRV_C18pos Treatment:LS | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_4_80-463-LSRV_C18pos; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211007_Cowley3_Plasma_4_80-463-LSRV_C18pos_rep Treatment:LS | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_4_80-463-LSRV_C18pos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211007_Cowley3_Plasma_19_68-434-LS-RV_C18pos Treatment:LS | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_19_68-434-LS-RV_C18pos; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211007_Cowley3_Plasma_19_68-434-LS-RV_C18pos_rep Treatment:LS | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_19_68-434-LS-RV_C18pos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211007_Cowley3_Plasma_21_32-417-LS-RV_C18pos Treatment:LS | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_21_32-417-LS-RV_C18pos; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211007_Cowley3_Plasma_21_32-417-LS-RV_C18pos_rep Treatment:LS | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_21_32-417-LS-RV_C18pos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211007_Cowley3_Plasma_32_44-421-LS-RV_C18pos Treatment:LS | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_32_44-421-LS-RV_C18pos; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211007_Cowley3_Plasma_32_44-421-LS-RV_C18pos_rep Treatment:LS | Source:Vein Plasma Instrument Mode=C18positive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_Plasma_32_44-421-LS-RV_C18pos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS - 20211007_Blank_Cowley3_C18pos_1 Treatment:n/a | Source:n/a Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Blank_Cowley3_C18pos_1; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211007_Blank_Cowley3_C18pos_2 Treatment:n/a | Source:n/a Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Blank_Cowley3_C18pos_2; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211007_Blank_Cowley3_C18pos_3 Treatment:n/a | Source:n/a Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Blank_Cowley3_C18pos_3; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211007_Blank_Cowley3_C18pos_4 Treatment:n/a | Source:n/a Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Blank_Cowley3_C18pos_4; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211007_Blank_Cowley3_C18pos_5 Treatment:n/a | Source:n/a Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Blank_Cowley3_C18pos_5; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211007_Blank_Cowley3_C18pos_6 Treatment:n/a | Source:n/a Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Blank_Cowley3_C18pos_6; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211007_Blank_Cowley3_C18pos_7 Treatment:n/a | Source:n/a Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Blank_Cowley3_C18pos_7; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211007_Blank_Cowley3_C18pos_8 Treatment:n/a | Source:n/a Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Blank_Cowley3_C18pos_8; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_1 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_1; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_2 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_2; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_3 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_3; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_4 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_4; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_5 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_5; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_6 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_6; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_7 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_7; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_8 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=C18positive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_8; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20220107_Cowley3_Blank_C18pos_1 Treatment:n/a | Source:n/a Instrument Mode=C18positive; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220107_Cowley3_Blank_C18pos_1; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220107_Cowley3_Blank_C18pos_2 Treatment:n/a | Source:n/a Instrument Mode=C18positive; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220107_Cowley3_Blank_C18pos_2; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220107_Cowley3_Blank_C18pos_3 Treatment:n/a | Source:n/a Instrument Mode=C18positive; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220107_Cowley3_Blank_C18pos_3; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220107_Cowley3_Blank_C18pos_3_20220108145336 Treatment:n/a | Source:n/a Instrument Mode=C18positive; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220107_Cowley3_Blank_C18pos_3_20220108145336; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220110_Cowley3_Blank_C18pos_1 Treatment:n/a | Source:n/a Instrument Mode=C18positive; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220110_Cowley3_Blank_C18pos_1; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220110_Cowley3_Blank_C18pos_2 Treatment:n/a | Source:n/a Instrument Mode=C18positive; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220110_Cowley3_Blank_C18pos_2; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220110_Cowley3_Blank_C18pos_3 Treatment:n/a | Source:n/a Instrument Mode=C18positive; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220110_Cowley3_Blank_C18pos_3; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220110_Cowley3_Blank_C18pos_4 Treatment:n/a | Source:n/a Instrument Mode=C18positive; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220110_Cowley3_Blank_C18pos_4; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS 463 20211013_Cowley3_Plasma_16_85-463-HS14-A_C18neg Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_16_85-463-HS14-A_C18neg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211013_Cowley3_Plasma_16_85-463-HS14-A_C18neg_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_16_85-463-HS14-A_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211013_Cowley3_Plasma_18_49-421-HS14-A_C18neg Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_18_49-421-HS14-A_C18neg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211013_Cowley3_Plasma_18_49-421-HS14-A_C18neg_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_18_49-421-HS14-A_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211013_Cowley3_Plasma_21_73-434-HS14-A_C18neg Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_21_73-434-HS14-A_C18neg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211013_Cowley3_Plasma_21_73-434-HS14-A_C18neg_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_21_73-434-HS14-A_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211013_Cowley3_Plasma_27_37-417-HS14-A_C18neg Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_27_37-417-HS14-A_C18neg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211013_Cowley3_Plasma_27_37-417-HS14-A_C18neg_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_27_37-417-HS14-A_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211013_Cowley3_Plasma_28_61-429-HS14-A_C18neg Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_28_61-429-HS14-A_C18neg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211013_Cowley3_Plasma_28_61-429-HS14-A_C18neg_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_28_61-429-HS14-A_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211013_Cowley3_Plasma_10_86-463-HS14-RV_C18neg Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_10_86-463-HS14-RV_C18neg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211013_Cowley3_Plasma_10_86-463-HS14-RV_C18neg_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_10_86-463-HS14-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211013_Cowley3_Plasma_11_38-417-HS14-RV_C18neg Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_11_38-417-HS14-RV_C18neg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211013_Cowley3_Plasma_11_38-417-HS14-RV_C18neg_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_11_38-417-HS14-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211013_Cowley3_Plasma_13_62-429-HS14-RV_C18neg Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_13_62-429-HS14-RV_C18neg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211013_Cowley3_Plasma_13_62-429-HS14-RV_C18neg_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_13_62-429-HS14-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211013_Cowley3_Plasma_31_50-421-HS14-RV_C18neg Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_31_50-421-HS14-RV_C18neg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211013_Cowley3_Plasma_31_50-421-HS14-RV_C18neg_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_31_50-421-HS14-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211013_Cowley3_Plasma_34_74-434-HS14-RV_C18neg Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_34_74-434-HS14-RV_C18neg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211013_Cowley3_Plasma_34_74-434-HS14-RV_C18neg_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_34_74-434-HS14-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211013_Cowley3_Plasma_23_40-417-HS21-A_C18neg Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_23_40-417-HS21-A_C18neg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211013_Cowley3_Plasma_23_40-417-HS21-A_C18neg_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_23_40-417-HS21-A_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211013_Cowley3_Plasma_24_88-463-HS21-A_C18neg Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_24_88-463-HS21-A_C18neg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211013_Cowley3_Plasma_24_88-463-HS21-A_C18neg_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_24_88-463-HS21-A_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211013_Cowley3_Plasma_32_64-429-HS21-A_C18neg Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_32_64-429-HS21-A_C18neg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211013_Cowley3_Plasma_32_64-429-HS21-A_C18neg_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_32_64-429-HS21-A_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211013_Cowley3_Plasma_37_52-421-HS21-A_C18neg Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_37_52-421-HS21-A_C18neg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211013_Cowley3_Plasma_37_52-421-HS21-A_C18neg_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_37_52-421-HS21-A_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211013_Cowley3_Plasma_39_76-434-HS21-A_C18neg Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_39_76-434-HS21-A_C18neg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211013_Cowley3_Plasma_39_76-434-HS21-A_C18neg_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_39_76-434-HS21-A_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211013_Cowley3_Plasma_3_77-434-HS-21-RV_C18neg Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_3_77-434-HS-21-RV_C18neg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211013_Cowley3_Plasma_3_77-434-HS-21-RV_C18neg_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_3_77-434-HS-21-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211013_Cowley3_Plasma_6_65-429-HS-21-RV_C18neg Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_6_65-429-HS-21-RV_C18neg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211013_Cowley3_Plasma_6_65-429-HS-21-RV_C18neg_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_6_65-429-HS-21-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211013_Cowley3_Plasma_25_89-463-HS21-RV_C18neg Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_25_89-463-HS21-RV_C18neg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211013_Cowley3_Plasma_25_89-463-HS21-RV_C18neg_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_25_89-463-HS21-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211013_Cowley3_Plasma_26_53-421-HS21-RV_C18neg Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_26_53-421-HS21-RV_C18neg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211013_Cowley3_Plasma_26_53-421-HS21-RV_C18neg_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_26_53-421-HS21-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211013_Cowley3_Plasma_30_41-417-HS21-RV_C18neg Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_30_41-417-HS21-RV_C18neg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211013_Cowley3_Plasma_30_41-417-HS21-RV_C18neg_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_30_41-417-HS21-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211013_Cowley3_Plasma_7_82-463-HS7-A_C18neg Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_7_82-463-HS7-A_C18neg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211013_Cowley3_Plasma_7_82-463-HS7-A_C18neg_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_7_82-463-HS7-A_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211013_Cowley3_Plasma_17_34-417-HS7-A_C18neg Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_17_34-417-HS7-A_C18neg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211013_Cowley3_Plasma_17_34-417-HS7-A_C18neg_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_17_34-417-HS7-A_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211013_Cowley3_Plasma_33_46-421-HS7-A_C18neg Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_33_46-421-HS7-A_C18neg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211013_Cowley3_Plasma_33_46-421-HS7-A_C18neg_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_33_46-421-HS7-A_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211013_Cowley3_Plasma_38_70-434-HS7-A_C18neg Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_38_70-434-HS7-A_C18neg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211013_Cowley3_Plasma_38_70-434-HS7-A_C18neg_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_38_70-434-HS7-A_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211013_Cowley3_Plasma_40_58-429-HS7-A_C18neg Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_40_58-429-HS7-A_C18neg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211013_Cowley3_Plasma_40_58-429-HS7-A_C18neg_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_40_58-429-HS7-A_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211013_Cowley3_Plasma_1_35-417-HS7-RV_C18neg Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_1_35-417-HS7-RV_C18neg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211013_Cowley3_Plasma_1_35-417-HS7-RV_C18neg_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_1_35-417-HS7-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211013_Cowley3_Plasma_8_47-421-HS7-RV_C18neg Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_8_47-421-HS7-RV_C18neg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211013_Cowley3_Plasma_8_47-421-HS7-RV_C18neg_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_8_47-421-HS7-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211013_Cowley3_Plasma_9_71-434-HS7-RV_C18neg Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_9_71-434-HS7-RV_C18neg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211013_Cowley3_Plasma_9_71-434-HS7-RV_C18neg_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_9_71-434-HS7-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211013_Cowley3_Plasma_15_83-463-HS7-RV_C18neg Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_15_83-463-HS7-RV_C18neg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211013_Cowley3_Plasma_15_83-463-HS7-RV_C18neg_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_15_83-463-HS7-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211013_Cowley3_Plasma_22_59-429-HS7-RV_C18neg Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_22_59-429-HS7-RV_C18neg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211013_Cowley3_Plasma_22_59-429-HS7-RV_C18neg_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_22_59-429-HS7-RV_C18neg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211013_Cowley3_Plasma_4_43-421-LS-A_C18neg Treatment:LS | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_4_43-421-LS-A_C18neg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211013_Cowley3_Plasma_4_43-421-LS-A_C18neg_rep Treatment:LS | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_4_43-421-LS-A_C18neg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211013_Cowley3_Plasma_12_31-417-LS-A_C18neg Treatment:LS | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_12_31-417-LS-A_C18neg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211013_Cowley3_Plasma_12_31-417-LS-A_C18neg_rep Treatment:LS | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_12_31-417-LS-A_C18neg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211013_Cowley3_Plasma_29_79-463-LS-A_C18neg Treatment:LS | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_29_79-463-LS-A_C18neg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211013_Cowley3_Plasma_29_79-463-LS-A_C18neg_rep Treatment:LS | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_29_79-463-LS-A_C18neg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211013_Cowley3_Plasma_35_67-434-LS-A_C18neg Treatment:LS | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_35_67-434-LS-A_C18neg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211013_Cowley3_Plasma_35_67-434-LS-A_C18neg_rep Treatment:LS | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_35_67-434-LS-A_C18neg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211013_Cowley3_Plasma_36_55-429-LS-A_C18neg Treatment:LS | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_36_55-429-LS-A_C18neg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211013_Cowley3_Plasma_36_55-429-LS-A_C18neg_rep Treatment:LS | Source:Artery Plasma Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_36_55-429-LS-A_C18neg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211013_Cowley3_Plasma_2_44-421-LSRV_C18neg Treatment:LS | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_2_44-421-LSRV_C18neg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211013_Cowley3_Plasma_2_44-421-LSRV_C18neg_rep Treatment:LS | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_2_44-421-LSRV_C18neg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211013_Cowley3_Plasma_5_32-417-LSRV_C18neg Treatment:LS | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_5_32-417-LSRV_C18neg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211013_Cowley3_Plasma_5_32-417-LSRV_C18neg_rep Treatment:LS | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_5_32-417-LSRV_C18neg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211013_Cowley3_Plasma_14_80-463-HS14-LSRV_C18neg Treatment:LS | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_14_80-463-HS14-LSRV_C18neg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211013_Cowley3_Plasma_14_80-463-HS14-LSRV_C18neg_rep Treatment:LS | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_14_80-463-HS14-LSRV_C18neg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211013_Cowley3_Plasma_19_56-429-LSRV_C18neg Treatment:LS | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_19_56-429-LSRV_C18neg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211013_Cowley3_Plasma_19_56-429-LSRV_C18neg_rep Treatment:LS | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_19_56-429-LSRV_C18neg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211013_Cowley3_Plasma_20_68-434-LSRV_C18neg Treatment:LS | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_20_68-434-LSRV_C18neg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211013_Cowley3_Plasma_20_68-434-LSRV_C18neg_rep Treatment:LS | Source:Vein Plasma Instrument Mode=C18negative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_Plasma_20_68-434-LSRV_C18neg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS - 20211013_Blank_Cowley3_C18neg_1 Treatment:n/a | Source:n/a Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Blank_Cowley3_C18neg_1; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211013_Blank_Cowley3_C18neg_2 Treatment:n/a | Source:n/a Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Blank_Cowley3_C18neg_2; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211013_Blank_Cowley3_C18neg_3 Treatment:n/a | Source:n/a Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Blank_Cowley3_C18neg_3; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211013_Blank_Cowley3_C18neg_4 Treatment:n/a | Source:n/a Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Blank_Cowley3_C18neg_4; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211013_Blank_Cowley3_C18neg_5 Treatment:n/a | Source:n/a Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Blank_Cowley3_C18neg_5; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211013_Blank_Cowley3_C18neg_6 Treatment:n/a | Source:n/a Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Blank_Cowley3_C18neg_6; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211013_Blank_Cowley3_C18neg_7 Treatment:n/a | Source:n/a Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Blank_Cowley3_C18neg_7; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211013_Blank_Cowley3_C18neg_8 Treatment:n/a | Source:n/a Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Blank_Cowley3_C18neg_8; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_1 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_1; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_2 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_2; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_3 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_3; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_4 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_4; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_5 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_5; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_6 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_6; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_7 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_7; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_8 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=C18negative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211013_Cowley3_QC-PlasmaPool_C18neg_10uL_8; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20220107_Cowley3_Blank_C18neg_1 Treatment:n/a | Source:n/a Instrument Mode=C18negative; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220107_Cowley3_Blank_C18neg_1; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220107_Cowley3_Blank_C18neg_2 Treatment:n/a | Source:n/a Instrument Mode=C18negative; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220107_Cowley3_Blank_C18neg_2; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220107_Cowley3_Blank_C18neg_3 Treatment:n/a | Source:n/a Instrument Mode=C18negative; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220107_Cowley3_Blank_C18neg_3; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220107_Cowley3_Blank_C18neg_3_20220109231151 Treatment:n/a | Source:n/a Instrument Mode=C18negative; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220107_Cowley3_Blank_C18neg_3_20220109231151; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220111_Cowley3_Blank_C18neg_1 Treatment:n/a | Source:n/a Instrument Mode=C18negative; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220111_Cowley3_Blank_C18neg_1; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220111_Cowley3_Blank_C18neg_2 Treatment:n/a | Source:n/a Instrument Mode=C18negative; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220111_Cowley3_Blank_C18neg_2; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220111_Cowley3_Blank_C18neg_3 Treatment:n/a | Source:n/a Instrument Mode=C18negative; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220111_Cowley3_Blank_C18neg_3; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220111_Cowley3_Blank_C18neg_4 Treatment:n/a | Source:n/a Instrument Mode=C18negative; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220111_Cowley3_Blank_C18neg_4; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS 421 20211020_Cowley3_Plasma_2_49-421-HS14-A_HILICpos Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_2_49-421-HS14-A_HILICpos; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 421 20211020_Cowley3_Plasma_2_49-421-HS14-A_HILICpos_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_2_49-421-HS14-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 463 20211020_Cowley3_Plasma_9_85-463-HS14-A_HILICpos Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_9_85-463-HS14-A_HILICpos; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 463 20211020_Cowley3_Plasma_9_85-463-HS14-A_HILICpos_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_9_85-463-HS14-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 434 20211020_Cowley3_Plasma_23_73-434-HS14-A_HILICpos Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_23_73-434-HS14-A_HILICpos; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 434 20211020_Cowley3_Plasma_23_73-434-HS14-A_HILICpos_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_23_73-434-HS14-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 417 20211020_Cowley3_Plasma_27_37-417-HS14-A_HILICpos Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_27_37-417-HS14-A_HILICpos; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 417 20211020_Cowley3_Plasma_27_37-417-HS14-A_HILICpos_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_27_37-417-HS14-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 429 20211020_Cowley3_Plasma_39_61-429-HS14-A_HILICpos Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_39_61-429-HS14-A_HILICpos; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 429 20211020_Cowley3_Plasma_39_61-429-HS14-A_HILICpos_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_39_61-429-HS14-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 434 20211020_Cowley3_Plasma_7_74-434-HS14-RV_HILICpos Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_7_74-434-HS14-RV_HILICpos; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 434 20211020_Cowley3_Plasma_7_74-434-HS14-RV_HILICpos_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_7_74-434-HS14-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 429 20211020_Cowley3_Plasma_22_62-429-HS14-RV_HILICpos Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_22_62-429-HS14-RV_HILICpos; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 429 20211020_Cowley3_Plasma_22_62-429-HS14-RV_HILICpos_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_22_62-429-HS14-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 421 20211020_Cowley3_Plasma_25_50-421-HS14-RV_HILICpos Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_25_50-421-HS14-RV_HILICpos; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 421 20211020_Cowley3_Plasma_25_50-421-HS14-RV_HILICpos_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_25_50-421-HS14-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 463 20211020_Cowley3_Plasma_30_86-463-HS14-RV_HILICpos Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_30_86-463-HS14-RV_HILICpos; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 463 20211020_Cowley3_Plasma_30_86-463-HS14-RV_HILICpos_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_30_86-463-HS14-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 417 20211020_Cowley3_Plasma_33_38-417-HS14-RV_HILICpos Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_33_38-417-HS14-RV_HILICpos; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 417 20211020_Cowley3_Plasma_33_38-417-HS14-RV_HILICpos_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_33_38-417-HS14-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 421 20211020_Cowley3_Plasma_3_52-421-HS21-A_HILICpos Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_3_52-421-HS21-A_HILICpos; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 421 20211020_Cowley3_Plasma_3_52-421-HS21-A_HILICpos_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_3_52-421-HS21-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 417 20211020_Cowley3_Plasma_19_40-417-HS21-A_HILICpos Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_19_40-417-HS21-A_HILICpos; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 417 20211020_Cowley3_Plasma_19_40-417-HS21-A_HILICpos_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_19_40-417-HS21-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 463 20211020_Cowley3_Plasma_26_88-463-HS21-A_HILICpos Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_26_88-463-HS21-A_HILICpos; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 463 20211020_Cowley3_Plasma_26_88-463-HS21-A_HILICpos_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_26_88-463-HS21-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 429 20211020_Cowley3_Plasma_32_64-429-HS21-A_HILICpos Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_32_64-429-HS21-A_HILICpos; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 429 20211020_Cowley3_Plasma_32_64-429-HS21-A_HILICpos_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_32_64-429-HS21-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 434 20211020_Cowley3_Plasma_36_76-434-HS21-A_HILICpos Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_36_76-434-HS21-A_HILICpos; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 434 20211020_Cowley3_Plasma_36_76-434-HS21-A_HILICpos_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_36_76-434-HS21-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 417 20211020_Cowley3_Plasma_10_41-417-HS21-RV_HILICpos Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_10_41-417-HS21-RV_HILICpos; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 417 20211020_Cowley3_Plasma_10_41-417-HS21-RV_HILICpos_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_10_41-417-HS21-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 421 20211020_Cowley3_Plasma_16_53-421-HS21-RV_HILICpos Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_16_53-421-HS21-RV_HILICpos; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 421 20211020_Cowley3_Plasma_16_53-421-HS21-RV_HILICpos_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_16_53-421-HS21-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 434 20211020_Cowley3_Plasma_31_77-434-HS21-RV_HILICpos Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_31_77-434-HS21-RV_HILICpos; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 434 20211020_Cowley3_Plasma_31_77-434-HS21-RV_HILICpos_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_31_77-434-HS21-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 463 20211020_Cowley3_Plasma_34_89-463-HS21-RV_HILICpos Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_34_89-463-HS21-RV_HILICpos; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 463 20211020_Cowley3_Plasma_34_89-463-HS21-RV_HILICpos_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_34_89-463-HS21-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 429 20211020_Cowley3_Plasma_37_65-429-HS21-RV_HILICpos Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_37_65-429-HS21-RV_HILICpos; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 429 20211020_Cowley3_Plasma_37_65-429-HS21-RV_HILICpos_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_37_65-429-HS21-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 463 20211020_Cowley3_Plasma_4_82-463-HS7-A_HILICpos Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_4_82-463-HS7-A_HILICpos; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 463 20211020_Cowley3_Plasma_4_82-463-HS7-A_HILICpos_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_4_82-463-HS7-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 417 20211020_Cowley3_Plasma_8_34-417-HS7-A_HILICpos Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_8_34-417-HS7-A_HILICpos; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 417 20211020_Cowley3_Plasma_8_34-417-HS7-A_HILICpos_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_8_34-417-HS7-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 421 20211020_Cowley3_Plasma_4_46-421-HS7-A_HILICpos Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_4_46-421-HS7-A_HILICpos; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 421 20211020_Cowley3_Plasma_4_46-421-HS7-A_HILICpos_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_4_46-421-HS7-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 434 20211020_Cowley3_Plasma_17_70-434-HS7-A_HILICpos Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_17_70-434-HS7-A_HILICpos; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 434 20211020_Cowley3_Plasma_17_70-434-HS7-A_HILICpos_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_17_70-434-HS7-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 429 20211020_Cowley3_Plasma_35_58-429-HS7-A_HILICpos Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_35_58-429-HS7-A_HILICpos; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 429 20211020_Cowley3_Plasma_35_58-429-HS7-A_HILICpos_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_35_58-429-HS7-A_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 434 20211020_Cowley3_Plasma_5_71-434-HS7-RV_HILICpos Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_5_71-434-HS7-RV_HILICpos; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 434 20211020_Cowley3_Plasma_5_71-434-HS7-RV_HILICpos_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_5_71-434-HS7-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 417 20211020_Cowley3_Plasma_11_35-417-HS7-RV_HILICpos Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_11_35-417-HS7-RV_HILICpos; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 417 20211020_Cowley3_Plasma_11_35-417-HS7-RV_HILICpos_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_11_35-417-HS7-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 463 20211020_Cowley3_Plasma_14_83-463-HS7-RV_HILICpos Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_14_83-463-HS7-RV_HILICpos; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 463 20211020_Cowley3_Plasma_14_83-463-HS7-RV_HILICpos_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_14_83-463-HS7-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 429 20211020_Cowley3_Plasma_18_59-429-HS7-RV_HILICpos Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_18_59-429-HS7-RV_HILICpos; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 429 20211020_Cowley3_Plasma_18_59-429-HS7-RV_HILICpos_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_18_59-429-HS7-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 421 20211020_Cowley3_Plasma_29_47-421-HS7-RV_HILICpos Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_29_47-421-HS7-RV_HILICpos; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 421 20211020_Cowley3_Plasma_29_47-421-HS7-RV_HILICpos_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_29_47-421-HS7-RV_HILICpos_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 463 20211020_Cowley3_Plasma_1_79-463-LS-A_HILICpos Treatment:LS | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_1_79-463-LS-A_HILICpos; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 463 20211020_Cowley3_Plasma_1_79-463-LS-A_HILICpos_rep Treatment:LS | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_1_79-463-LS-A_HILICpos_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 421 20211020_Cowley3_Plasma_6_43-421-LS-A_HILICpos Treatment:LS | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_6_43-421-LS-A_HILICpos; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 421 20211020_Cowley3_Plasma_6_43-421-LS-A_HILICposrep Treatment:LS | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_6_43-421-LS-A_HILICposrep; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 417 20211020_Cowley3_Plasma_12_31-417-LS-A_HILICpos Treatment:LS | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_12_31-417-LS-A_HILICpos; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 417 20211020_Cowley3_Plasma_12_31-417-LS-A_HILICpos_rep Treatment:LS | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_12_31-417-LS-A_HILICpos_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 434 20211020_Cowley3_Plasma_15_67-434-LS-A_HILICpos Treatment:LS | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_15_67-434-LS-A_HILICpos; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 434 20211020_Cowley3_Plasma_15_67-434-LS-A_HILICpos_rep Treatment:LS | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_15_67-434-LS-A_HILICpos_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 429 20211020_Cowley3_Plasma_28_55-429-LS-A_HILICpos Treatment:LS | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_28_55-429-LS-A_HILICpos; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 429 20211020_Cowley3_Plasma_28_55-429-LS-A_HILICpos_rep Treatment:LS | Source:Artery Plasma Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_28_55-429-LS-A_HILICpos_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma, Sample
SUBJECT_SAMPLE_FACTORS 463 20211020_Cowley3_Plasma_20_80-463-LS-RV_HILICpos Treatment:LS | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_20_80-463-LS-RV_HILICpos; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 463 20211020_Cowley3_Plasma_20_80-463-LS-RV_HILICpos_rep Treatment:LS | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_20_80-463-LS-RV_HILICpos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 434 20211020_Cowley3_Plasma_21_68-434-LS-RV_HILICpos Treatment:LS | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_21_68-434-LS-RV_HILICpos; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 434 20211020_Cowley3_Plasma_21_68-434-LS-RV_HILICpos_rep Treatment:LS | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_21_68-434-LS-RV_HILICpos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 417 20211020_Cowley3_Plasma_24_32-417-LS-RV_HILICpos Treatment:LS | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_24_32-417-LS-RV_HILICpos; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 417 20211020_Cowley3_Plasma_24_32-417-LS-RV_HILICpos_rep Treatment:LS | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_24_32-417-LS-RV_HILICpos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 429 20211020_Cowley3_Plasma_38_56-429-LS-RV_HILICpos Treatment:LS | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_38_56-429-LS-RV_HILICpos; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 429 20211020_Cowley3_Plasma_38_56-429-LS-RV_HILICpos_rep Treatment:LS | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_38_56-429-LS-RV_HILICpos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 421 20211020_Cowley3_Plasma_40_44-421-LS-RV_HILICpos Treatment:LS | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_40_44-421-LS-RV_HILICpos; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS 421 20211020_Cowley3_Plasma_40_44-421-LS-RV_HILICpos_rep Treatment:LS | Source:Vein Plasma Instrument Mode=HILICpositive; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_Plasma_40_44-421-LS-RV_HILICpos_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma, Sample
SUBJECT_SAMPLE_FACTORS - 20211020_Blank_Cowley3_HILICpos_1 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Blank_Cowley3_HILICpos_1; Sample Type=Blank; Sample Group=n/a, n/a, Blank
SUBJECT_SAMPLE_FACTORS - 20211020_Blank_Cowley3_HILICpos_2 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Blank_Cowley3_HILICpos_2; Sample Type=Blank; Sample Group=n/a, n/a, Blank
SUBJECT_SAMPLE_FACTORS - 20211020_Blank_Cowley3_HILICpos_3 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Blank_Cowley3_HILICpos_3; Sample Type=Blank; Sample Group=n/a, n/a, Blank
SUBJECT_SAMPLE_FACTORS - 20211020_Blank_Cowley3_HILICpos_4 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Blank_Cowley3_HILICpos_4; Sample Type=Blank; Sample Group=n/a, n/a, Blank
SUBJECT_SAMPLE_FACTORS - 20211020_Blank_Cowley3_HILICpos_5 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Blank_Cowley3_HILICpos_5; Sample Type=Blank; Sample Group=n/a, n/a, Blank
SUBJECT_SAMPLE_FACTORS - 20211020_Blank_Cowley3_HILICpos_6 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Blank_Cowley3_HILICpos_6; Sample Type=Blank; Sample Group=n/a, n/a, Blank
SUBJECT_SAMPLE_FACTORS - 20211020_Blank_Cowley3_HILICpos_7 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Blank_Cowley3_HILICpos_7; Sample Type=Blank; Sample Group=n/a, n/a, Blank
SUBJECT_SAMPLE_FACTORS - 20211020_Blank_Cowley3_HILICpos_8 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Blank_Cowley3_HILICpos_8; Sample Type=Blank; Sample Group=n/a, n/a, Blank
SUBJECT_SAMPLE_FACTORS - 20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_1 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_1; Sample Type=Quality Control; Sample Group=n/a, n/a, QualityControl
SUBJECT_SAMPLE_FACTORS - 20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_2 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_2; Sample Type=Quality Control; Sample Group=n/a, n/a, QualityControl
SUBJECT_SAMPLE_FACTORS - 20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_3 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_3; Sample Type=Quality Control; Sample Group=n/a, n/a, QualityControl
SUBJECT_SAMPLE_FACTORS - 20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_4 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_4; Sample Type=Quality Control; Sample Group=n/a, n/a, QualityControl
SUBJECT_SAMPLE_FACTORS - 20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_5 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_5; Sample Type=Quality Control; Sample Group=n/a, n/a, QualityControl
SUBJECT_SAMPLE_FACTORS - 20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_6 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_6; Sample Type=Quality Control; Sample Group=n/a, n/a, QualityControl
SUBJECT_SAMPLE_FACTORS - 20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_7 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_7; Sample Type=Quality Control; Sample Group=n/a, n/a, QualityControl
SUBJECT_SAMPLE_FACTORS - 20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_8 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211020_Cowley3_QC-PlasmaPool_HILICpos_10uL_8; Sample Type=Quality Control; Sample Group=n/a, n/a, QualityControl
SUBJECT_SAMPLE_FACTORS - 20220113_Cowley3_Blank_HILICpos_1_20220114102319 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220113_Cowley3_Blank_HILICpos_1_20220114102319; Sample Type=Blank; Sample Group=n/a
SUBJECT_SAMPLE_FACTORS - 20220113_Cowley3_Blank_HILICpos_2 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220113_Cowley3_Blank_HILICpos_2; Sample Type=Blank; Sample Group=n/a
SUBJECT_SAMPLE_FACTORS - 20220113_Cowley3_Blank_HILICpos_3 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220113_Cowley3_Blank_HILICpos_3; Sample Type=Blank; Sample Group=n/a
SUBJECT_SAMPLE_FACTORS - 20220113_Cowley3_Blank_HILICpos_4 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220113_Cowley3_Blank_HILICpos_4; Sample Type=Blank; Sample Group=n/a
SUBJECT_SAMPLE_FACTORS - 20220113_Cowley3_Blank_HILICpos_1_20220116052940 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220113_Cowley3_Blank_HILICpos_1_20220116052940; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220113_Cowley3_Blank_HILICpos_2_20220116155333 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220113_Cowley3_Blank_HILICpos_2_20220116155333; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220113_Cowley3_Blank_HILICpos_3_20220117004515 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220113_Cowley3_Blank_HILICpos_3_20220117004515; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220113_Cowley3_Blank_HILICpos_4_20220117093703 Treatment:n/a | Source:n/a Instrument Mode=HILICpositive; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220113_Cowley3_Blank_HILICpos_4_20220117093703; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS 463 20211029_Cowley3_Plasma_10_85-463-HS14-A_HILICneg Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_10_85-463-HS14-A_HILICneg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211029_Cowley3_Plasma_10_85-463-HS14-A_HILICneg_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_10_85-463-HS14-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211029_Cowley3_Plasma_28_61-429-HS14-A_HILICneg Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_28_61-429-HS14-A_HILICneg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211029_Cowley3_Plasma_28_61-429-HS14-A_HILICneg_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_28_61-429-HS14-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211029_Cowley3_Plasma_32_37-417-HS14-A_HILICneg Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_32_37-417-HS14-A_HILICneg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211029_Cowley3_Plasma_32_37-417-HS14-A_HILICneg_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_32_37-417-HS14-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211029_Cowley3_Plasma_34_73-434-HS14-A_HILICneg Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_34_73-434-HS14-A_HILICneg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211029_Cowley3_Plasma_34_73-434-HS14-A_HILICneg_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_34_73-434-HS14-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211029_Cowley3_Plasma_39_49-421-HS14-A_HILICneg Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_39_49-421-HS14-A_HILICneg; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211029_Cowley3_Plasma_39_49-421-HS14-A_HILICneg_rep Treatment:HS14 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_39_49-421-HS14-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211029_Cowley3_Plasma_5_74-434-HS14-RV_HILICneg Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_5_74-434-HS14-RV_HILICneg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211029_Cowley3_Plasma_5_74-434-HS14-RV_HILICneg_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_5_74-434-HS14-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211029_Cowley3_Plasma_8_50-421-HS14-RV_HILICneg Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_8_50-421-HS14-RV_HILICneg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211029_Cowley3_Plasma_8_50-421-HS14-RV_HILICneg_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_8_50-421-HS14-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211029_Cowley3_Plasma_11_62-429-HS14-RV_HILICneg Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_11_62-429-HS14-RV_HILICneg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211029_Cowley3_Plasma_11_62-429-HS14-RV_HILICneg_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_11_62-429-HS14-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211029_Cowley3_Plasma_16_86-463-HS14-RV_HILICneg Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_16_86-463-HS14-RV_HILICneg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211029_Cowley3_Plasma_16_86-463-HS14-RV_HILICneg_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_16_86-463-HS14-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211029_Cowley3_Plasma_31_38-417-HS14-RV_HILICneg Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_31_38-417-HS14-RV_HILICneg; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211029_Cowley3_Plasma_31_38-417-HS14-RV_HILICneg_rep Treatment:HS14 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_31_38-417-HS14-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS14, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211029_Cowley3_Plasma_12_64-429-HS21-A_HILICneg Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_12_64-429-HS21-A_HILICneg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211029_Cowley3_Plasma_12_64-429-HS21-A_HILICneg_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_12_64-429-HS21-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211029_Cowley3_Plasma_23_76-434-HS21-A_HILICneg Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_23_76-434-HS21-A_HILICneg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211029_Cowley3_Plasma_23_76-434-HS21-A_HILICneg_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_23_76-434-HS21-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211029_Cowley3_Plasma_24_40-417-HS21-A_HILICneg Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_24_40-417-HS21-A_HILICneg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211029_Cowley3_Plasma_24_40-417-HS21-A_HILICneg_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_24_40-417-HS21-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211029_Cowley3_Plasma_25_52-421-HS21-A_HILICneg Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_25_52-421-HS21-A_HILICneg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211029_Cowley3_Plasma_25_52-421-HS21-A_HILICneg_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_25_52-421-HS21-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211029_Cowley3_Plasma_26_88-463-HS21-A_HILICneg Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_26_88-463-HS21-A_HILICneg; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211029_Cowley3_Plasma_26_88-463-HS21-A_HILICneg_rep Treatment:HS21 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_26_88-463-HS21-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211029_Cowley3_Plasma_13_89-463-HS21-RV_HILICneg Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_13_89-463-HS21-RV_HILICneg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211029_Cowley3_Plasma_13_89-463-HS21-RV_HILICneg_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_13_89-463-HS21-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211029_Cowley3_Plasma_20_77-434-HS21-RV_HILICneg Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_20_77-434-HS21-RV_HILICneg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211029_Cowley3_Plasma_20_77-434-HS21-RV_HILICneg_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_20_77-434-HS21-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211029_Cowley3_Plasma_22_41-417-HS21-RV_HILICneg Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_22_41-417-HS21-RV_HILICneg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211029_Cowley3_Plasma_22_41-417-HS21-RV_HILICneg_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_22_41-417-HS21-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211029_Cowley3_Plasma_29_53-421-HS21-RV_HILICneg Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_29_53-421-HS21-RV_HILICneg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211029_Cowley3_Plasma_29_53-421-HS21-RV_HILICneg_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_29_53-421-HS21-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211029_Cowley3_Plasma_35_65-429-HS21-RV_HILICneg Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_35_65-429-HS21-RV_HILICneg; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211029_Cowley3_Plasma_35_65-429-HS21-RV_HILICneg_rep Treatment:HS21 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_35_65-429-HS21-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS21, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211029_Cowley3_Plasma_7_34-417-HS7-A_HILICneg Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_7_34-417-HS7-A_HILICneg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211029_Cowley3_Plasma_7_34-417-HS7-A_HILICneg_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_7_34-417-HS7-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211029_Cowley3_Plasma_9_46-421-HS7-A_HILICneg Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_9_46-421-HS7-A_HILICneg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211029_Cowley3_Plasma_9_46-421-HS7-A_HILICneg_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_9_46-421-HS7-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211029_Cowley3_Plasma_21_70-434-HS7-A_HILICneg Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_21_70-434-HS7-A_HILICneg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211029_Cowley3_Plasma_21_70-434-HS7-A_HILICneg_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_21_70-434-HS7-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211029_Cowley3_Plasma_30_58-429-HS7-A_HILICneg Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_30_58-429-HS7-A_HILICneg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211029_Cowley3_Plasma_30_58-429-HS7-A_HILICneg_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_30_58-429-HS7-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211029_Cowley3_Plasma_36_82-463-HS7-A_HILICneg Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_36_82-463-HS7-A_HILICneg; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211029_Cowley3_Plasma_36_82-463-HS7-A_HILICneg_rep Treatment:HS7 | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_36_82-463-HS7-A_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211029_Cowley3_Plasma_1_71-434-HS7-RV_HILICneg Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_1_71-434-HS7-RV_HILICneg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211029_Cowley3_Plasma_1_71-434-HS7-RV_HILICneg_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_1_71-434-HS7-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211029_Cowley3_Plasma_3_47-421-HS7-RV_HILICneg Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_3_47-421-HS7-RV_HILICneg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211029_Cowley3_Plasma_3_47-421-HS7-RV_HILICneg_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_3_47-421-HS7-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211029_Cowley3_Plasma_15_83-463-HS7-RV_HILICneg Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_15_83-463-HS7-RV_HILICneg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211029_Cowley3_Plasma_15_83-463-HS7-RV_HILICneg_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_15_83-463-HS7-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211029_Cowley3_Plasma_27_35-417-HS7-RV_HILICneg Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_27_35-417-HS7-RV_HILICneg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211029_Cowley3_Plasma_27_35-417-HS7-RV_HILICneg_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_27_35-417-HS7-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211029_Cowley3_Plasma_40_59-429-HS7-RV_HILICneg Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_40_59-429-HS7-RV_HILICneg; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211029_Cowley3_Plasma_40_59-429-HS7-RV_HILICneg_rep Treatment:HS7 | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_40_59-429-HS7-RV_HILICneg_rep; Sample Type=Sample; Sample Group=HS7, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211029_Cowley3_Plasma_2_43-421-LS-A_HILICneg Treatment:LS | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_2_43-421-LS-A_HILICneg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 421 20211029_Cowley3_Plasma_2_43-421-LS-A_HILICneg_rep Treatment:LS | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_2_43-421-LS-A_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211029_Cowley3_Plasma_14_79-463-LS-A_HILICneg Treatment:LS | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_14_79-463-LS-A_HILICneg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 463 20211029_Cowley3_Plasma_14_79-463-LS-A_HILICneg_rep Treatment:LS | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_14_79-463-LS-A_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211029_Cowley3_Plasma_17_31-417-LS-A_HILICneg Treatment:LS | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_17_31-417-LS-A_HILICneg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 417 20211029_Cowley3_Plasma_17_31-417-LS-A_HILICneg_rep Treatment:LS | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_17_31-417-LS-A_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211029_Cowley3_Plasma_18_55-429-LS-A_HILICneg Treatment:LS | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_18_55-429-LS-A_HILICneg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211029_Cowley3_Plasma_18_55-429-LS-A_HILICneg_rep Treatment:LS | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_18_55-429-LS-A_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211029_Cowley3_Plasma_19_67-434-LS-A_HILICneg Treatment:LS | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_19_67-434-LS-A_HILICneg; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 434 20211029_Cowley3_Plasma_19_67-434-LS-A_HILICneg_rep Treatment:LS | Source:Artery Plasma Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_19_67-434-LS-A_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Artery Plasma
SUBJECT_SAMPLE_FACTORS 429 20211029_Cowley3_Plasma_4_56-429-LS-RV_HILICneg Treatment:LS | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_4_56-429-LS-RV_HILICneg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 429 20211029_Cowley3_Plasma_4_56-429-LS-RV_HILICneg_rep Treatment:LS | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR3; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_4_56-429-LS-RV_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211029_Cowley3_Plasma_6_68-434-LS-RV_HILICneg Treatment:LS | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_6_68-434-LS-RV_HILICneg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 434 20211029_Cowley3_Plasma_6_68-434-LS-RV_HILICneg_rep Treatment:LS | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR4; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_6_68-434-LS-RV_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211029_Cowley3_Plasma_33_32-417-LS-RV_HILICneg Treatment:LS | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_33_32-417-LS-RV_HILICneg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 417 20211029_Cowley3_Plasma_33_32-417-LS-RV_HILICneg_rep Treatment:LS | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR1; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_33_32-417-LS-RV_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211029_Cowley3_Plasma_37_80-463-LS-RV_HILICneg Treatment:LS | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_37_80-463-LS-RV_HILICneg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 463 20211029_Cowley3_Plasma_37_80-463-LS-RV_HILICneg_rep Treatment:LS | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR5; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_37_80-463-LS-RV_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211029_Cowley3_Plasma_38_44-421-LS-RV_HILICneg Treatment:LS | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_38_44-421-LS-RV_HILICneg; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS 421 20211029_Cowley3_Plasma_38_44-421-LS-RV_HILICneg_rep Treatment:LS | Source:Vein Plasma Instrument Mode=HILICnegative; Biological Replicate=BR2; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_Plasma_38_44-421-LS-RV_HILICneg_rep; Sample Type=Sample; Sample Group=LS, Vein Plasma
SUBJECT_SAMPLE_FACTORS - 20211029_Blank_Cowley3_HILICneg_2 Treatment:n/a | Source:n/a Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Blank_Cowley3_HILICneg_2; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211029_Blank_Cowley3_HILICneg_3 Treatment:n/a | Source:n/a Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Blank_Cowley3_HILICneg_3; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211029_Blank_Cowley3_HILICneg_4 Treatment:n/a | Source:n/a Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Blank_Cowley3_HILICneg_4; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211029_Blank_Cowley3_HILICneg_5 Treatment:n/a | Source:n/a Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Blank_Cowley3_HILICneg_5; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211029_Blank_Cowley3_HILICneg_6 Treatment:n/a | Source:n/a Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Blank_Cowley3_HILICneg_6; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211029_Blank_Cowley3_HILICneg_7 Treatment:n/a | Source:n/a Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Blank_Cowley3_HILICneg_7; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211029_Blank_Cowley3_HILICneg_8 Treatment:n/a | Source:n/a Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Blank_Cowley3_HILICneg_8; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211029_Blank_Cowley3_Plasma_HILICneg_1 Treatment:n/a | Source:n/a Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Blank_Cowley3_Plasma_HILICneg_1; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_1 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_1; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_2 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_2; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_3 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_3; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_4 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_4; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_5 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_5; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_6 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_6; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_7 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_7; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_8 Treatment:Plasma Pool | Source:Plasma Pool Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Plasma; RAW_FILE_NAME=20211029_Cowley3_QC-PlasmaPool_HILICneg_10uL_8; Sample Type=Quality Control; Sample Group=Plasma Pool, Plasma Pool
SUBJECT_SAMPLE_FACTORS - 20220118_Cowley3_Blank_HILICneg_1 Treatment:n/a | Source:n/a Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220118_Cowley3_Blank_HILICneg_1; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220118_Cowley3_Blank_HILICneg_2 Treatment:n/a | Source:n/a Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220118_Cowley3_Blank_HILICneg_2; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220118_Cowley3_Blank_HILICneg_3 Treatment:n/a | Source:n/a Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220118_Cowley3_Blank_HILICneg_3; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220118_Cowley3_Blank_HILICneg_4 Treatment:n/a | Source:n/a Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=Cortex; RAW_FILE_NAME=20220118_Cowley3_Blank_HILICneg_4; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220119_Cowley3_Blank_HILICneg_1 Treatment:n/a | Source:n/a Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220119_Cowley3_Blank_HILICneg_1; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220119_Cowley3_Blank_HILICneg_2 Treatment:n/a | Source:n/a Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220119_Cowley3_Blank_HILICneg_2; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220119_Cowley3_Blank_HILICneg_3 Treatment:n/a | Source:n/a Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220119_Cowley3_Blank_HILICneg_3; Sample Type=Blank; Sample Group=n/a, n/a
SUBJECT_SAMPLE_FACTORS - 20220119_Cowley3_Blank_HILICneg_4 Treatment:n/a | Source:n/a Instrument Mode=HILICnegative; Biological Replicate=n/a; CF=OM; RAW_FILE_NAME=20220119_Cowley3_Blank_HILICneg_4; Sample Type=Blank; Sample Group=n/a, n/a
#COLLECTION
CO:COLLECTION_SUMMARY Plasma was collected through an arterial and renal venous catheter throughout
CO:COLLECTION_SUMMARY the study (200 µL of arterial and renal venous blood were sampled at the day 7,
CO:COLLECTION_SUMMARY 14, and 21). Overnight urine (18 hours) from the day before the blood draw was
CO:COLLECTION_SUMMARY collected on ice. The kidneys were collected either at 14 days of HS (HS14) or
CO:COLLECTION_SUMMARY 21 days of HS (HS21). The kidneys of only LS fed SD rats were also collected for
CO:COLLECTION_SUMMARY comparison. The collected kidneys (n=5 for each group for metabolomics) were
CO:COLLECTION_SUMMARY dissected to cortex and outer medulla and snap frozen with liquid nitrogen.
CO:COLLECTION_SUMMARY Plasma, urine and tissue were stored in -80°C until further analysis.
CO:SAMPLE_TYPE Arterial plasma; Venous plasma
CO:STORAGE_CONDITIONS -80?
#TREATMENT
TR:TREATMENT_SUMMARY Rats (n=7, 10-11 weeks of age) were performed renal blood flow (RBF) probe
TR:TREATMENT_SUMMARY implantation and femoral arterial catheterization5. Briefly, rats were
TR:TREATMENT_SUMMARY anesthetized with isoflurane and arterial catheter was inserted. Following an
TR:TREATMENT_SUMMARY abdominal incision, RBF probe was implanted on left renal artery and the cable
TR:TREATMENT_SUMMARY was exposed at nape of the neck via the subcutaneous route. In addition to the
TR:TREATMENT_SUMMARY RBF probe implantation, renal venous catheter was inserted through the femoral
TR:TREATMENT_SUMMARY vein and placed in the left renal vein and secured to the luminal wall with 10-0
TR:TREATMENT_SUMMARY nylon. RBF and BP via arterial line were measured by conscious freely moving
TR:TREATMENT_SUMMARY rats and recorded on average of every minute for 24 h/day. After 7-10 days of
TR:TREATMENT_SUMMARY recovery period, 200 µL of arterial and renal venous blood were sampled and
TR:TREATMENT_SUMMARY that blood was replaced from donor rats before and following 7, 14 and 21 days
TR:TREATMENT_SUMMARY after the switch in diet from 0.4% (LS) to 4.0% (HS) salt diet (Dyets Inc,
TR:TREATMENT_SUMMARY Bethlehem, PA). Overnight urine (18 hours) from the day before the blood draw
TR:TREATMENT_SUMMARY was collected on ice. The kidneys were collected either at 14 days of HS (HS14)
TR:TREATMENT_SUMMARY or 21 days of HS (HS21). The kidneys of only LS fed SD rats were also collected
TR:TREATMENT_SUMMARY for comparison. The collected kidneys (n=5 for each group for metabolomics and
TR:TREATMENT_SUMMARY mRNAseq analysis) were dissected to cortex and outer medulla and snap frozen
TR:TREATMENT_SUMMARY with liquid nitrogen. Plasma, urine and tissue were stored in -80°C until
TR:TREATMENT_SUMMARY further analysis.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY Plasma/Urine Metabolite Extraction. Metabolites were extracted from 20 µL of
SP:SAMPLEPREP_SUMMARY plasma and 20 µL of urine from each SD rat in the study according to standard
SP:SAMPLEPREP_SUMMARY operating procedures in the Mass Spectrometry and Protein Chemistry Service at
SP:SAMPLEPREP_SUMMARY The Jackson Laboratory34. Metabolites were extracted using 500 µL of an ice
SP:SAMPLEPREP_SUMMARY cold 2:2:1 methanol:acetonitrile:water (MeOH:ACN:H2O) buffer; the sample was
SP:SAMPLEPREP_SUMMARY part of the water fraction. Caffeine, 1-napthylamine, and 9-anthracene
SP:SAMPLEPREP_SUMMARY carboxylic acid were all added at 0.5 ng/ µL in the extraction buffer as
SP:SAMPLEPREP_SUMMARY internal standards. Each sample was then vortexed for 30 seconds on the highest
SP:SAMPLEPREP_SUMMARY setting, subject to one minute of mixing with the Tissue Lyser II in pre-chilled
SP:SAMPLEPREP_SUMMARY cassettes, and then sonicated at 30 Hz for 5 minutes of 30 seconds on 30 seconds
SP:SAMPLEPREP_SUMMARY off in an ice water bath. Samples were then placed in the -20°C freezer
SP:SAMPLEPREP_SUMMARY overnight (16 hours) for extraction. Following the extraction, samples were
SP:SAMPLEPREP_SUMMARY centrifuged at 21,000 x g at 4°C and supernatant from each metabolite extract
SP:SAMPLEPREP_SUMMARY was equally divided into five 2 mL microcentrifuge tubes. Each sample
SP:SAMPLEPREP_SUMMARY supernatant was divided into five equal volume aliquots, one for each of the
SP:SAMPLEPREP_SUMMARY four modes and the rest to create equal representation pools of all samples, one
SP:SAMPLEPREP_SUMMARY for each mode. Each aliquot was then dried down using a vacuum centrifuge for
SP:SAMPLEPREP_SUMMARY storage at -80°C until further use. Tissue Metabolite Extraction. Metabolites
SP:SAMPLEPREP_SUMMARY were extracted from 20 mg of kidney cortex and medulla from each SD rat in the
SP:SAMPLEPREP_SUMMARY study according to standard operating procedures in the Mass Spectrometry and
SP:SAMPLEPREP_SUMMARY Protein Chemistry Service at The Jackson Laboratory34 as described for the
SP:SAMPLEPREP_SUMMARY plasma and urine samples with slight modification. Metabolites were extracted
SP:SAMPLEPREP_SUMMARY using 1000 µL of an ice cold 2:2:1 methanol:acetonitrile:water (MeOH:ACN:H2O)
SP:SAMPLEPREP_SUMMARY buffer containing internal standards as above per 20 mg of sample to ensure the
SP:SAMPLEPREP_SUMMARY extraction equivalents were normalized. Each sample had a 5 mm stainless steel
SP:SAMPLEPREP_SUMMARY bead added, then were pulverized in extraction buffer for two minutes
SP:SAMPLEPREP_SUMMARY usingTissue Lyser II. Samples were then placed in the -20°C freezer overnight
SP:SAMPLEPREP_SUMMARY (16 hours) for extraction and the supernatant was collected as with the
SP:SAMPLEPREP_SUMMARY urine/plasma samples. Each sample supernatant was divided into five equal volume
SP:SAMPLEPREP_SUMMARY aliquots, one for each of the four modes and the rest to create equal
SP:SAMPLEPREP_SUMMARY representation pools of all samples, one for each mode. Each aliquot was then
SP:SAMPLEPREP_SUMMARY dried down using a vacuum centrifuge for storage at -80°C until further use.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY This chromatography method was utilized for all C18 positive polarity runs in
CH:CHROMATOGRAPHY_SUMMARY this study.
CH:CHROMATOGRAPHY_TYPE Reversed phase
CH:INSTRUMENT_NAME Thermo Vanquish
CH:COLUMN_NAME Agilent InfinityLab Poroshell 120 EC-C18 (2.1 x 50 mm; 2.7-Micron)
CH:SOLVENT_A 100% water, 0.2% acetic acid
CH:SOLVENT_B 100% acetonitrile, 0.2% acetic acid
CH:FLOW_GRADIENT 0-1 minutes at 98% A1/2% B1, 1-13 minutes from 98% A1/2% B1 to 10% A1/90% B1,
CH:FLOW_GRADIENT 13-15 minutes at 10% A1/90% B1, 15-16 minutes from 10% A1/90% B1 to 98% A1/2%
CH:FLOW_GRADIENT B1, and was re-equilibrated from 16-25 minutes at 98% A1/2% B1
CH:FLOW_RATE 0.1 mL/minute
CH:COLUMN_TEMPERATURE 25C
CH:INTERNAL_STANDARD Caffeine, 1-napthylamine, and 9-anthracene carboxylic acid were all added at 0.5
CH:INTERNAL_STANDARD ng/ µL in the extraction buffer as internal standards
#ANALYSIS
AN:ANALYSIS_TYPE MS
AN:LABORATORY_NAME The Jackson Laboratory Mass Spectrometry and Protein Chemistry Lab
#MS
MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE Orbitrap
MS:MS_TYPE ESI
MS:ION_MODE POSITIVE
MS:MS_COMMENTS C18 positive plasma data: The tandem mass spectrometry RAW data files
MS:MS_COMMENTS (consisting of MS1 and MS2 spectra collected) were analyzed using Thermo
MS:MS_COMMENTS Compound Discoverer (v3.2.0.421). The MS1 and MS2 data was searched against the
MS:MS_COMMENTS Thermo mzCloud database, ChemSpider database, Metabolika Pathways, and mzLogic
MS:MS_COMMENTS predicted composition in the Compound Discoverer workflow.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS Area
MS_METABOLITE_DATA_START
Samples 20211007_Cowley3_Plasma_22_73-434-HS14-A_C18pos 20211007_Cowley3_Plasma_22_73-434-HS14-A_C18pos_rep 20211007_Cowley3_Plasma_28_61-429-HS14-A_C18pos 20211007_Cowley3_Plasma_28_61-429-HS14-A_C18pos_rep 20211007_Cowley3_Plasma_29_37-417_HS14-A_C18pos_rep 20211007_Cowley3_Plasma_29_37-417-HS14-A_C18pos 20211007_Cowley3_Plasma_31_85-463-HS14-A_C18pos 20211007_Cowley3_Plasma_31_85-463-HS14-A_C18pos_rep 20211007_Cowley3_Plasma_37_49-421-HS14-A_C18pos 20211007_Cowley3_Plasma_37_49-421-HS14-A_C18pos_rep 20211007_Cowley3_Plasma_1_74-434-HS14-RV_C18pos 20211007_Cowley3_Plasma_1_74-434-HS14-RV_C18pos_rep 20211007_Cowley3_Plasma_7_38-417-HS14-RV_C18pos 20211007_Cowley3_Plasma_7_38-417-HS14-RV_C18pos_rep 20211007_Cowley3_Plasma_11_62-429-HS14-RV_C18pos 20211007_Cowley3_Plasma_11_62-429-HS14-RV_C18pos_rep 20211007_Cowley3_Plasma_20_86-463-HS14-RV_C18pos 20211007_Cowley3_Plasma_20_86-463-HS14-RV_C18pos_rep 20211007_Cowley3_Plasma_24_50-421-HS14-RV_C18pos 20211007_Cowley3_Plasma_24_50-421-HS14-RV_C18pos_rep 20211007_Cowley3_Plasma_5_76-434-HS21-A_C18pos 20211007_Cowley3_Plasma_5_76-434-HS21-A_C18pos_rep 20211007_Cowley3_Plasma_10_88-463-HS21-A_C18pos 20211007_Cowley3_Plasma_10_88-463-HS21-A_C18pos_rep 20211007_Cowley3_Plasma_12_40-417-HS21-A_C18pos 20211007_Cowley3_Plasma_12_40-417-HS21-A_C18pos_rep 20211007_Cowley3_Plasma_30_52-421-HS21-A_C18pos 20211007_Cowley3_Plasma_30_52-421-HS21-A_C18pos_rep 20211007_Cowley3_Plasma_36_64-429-HS21-A_C18pos 20211007_Cowley3_Plasma_36_64-429-HS21-A_C18pos_rep 20211007_Cowley3_Plasma_3_65-429-HS21-RV_C18pos 20211007_Cowley3_Plasma_3_65-429-HS21-RV_C18pos_rep 20211007_Cowley3_Plasma_13_89-463-HS21-RV_C18pos 20211007_Cowley3_Plasma_13_89-463-HS21-RV_C18pos_rep 20211007_Cowley3_Plasma_17_53-421-HS21-RV_C18pos 20211007_Cowley3_Plasma_17_53-421-HS21-RV_C18pos_rep 20211007_Cowley3_Plasma_35_41-417_HS21-RV_C18pos_rep 20211007_Cowley3_Plasma_35_41-417-HS21-RV_C18pos 20211007_Cowley3_Plasma_38_77-434-HS21-RV_C18pos 20211007_Cowley3_Plasma_38_77-434-HS21-RV_C18pos_rep 20211007_Cowley3_Plasma_8_70-434-HS7-A_C18pos 20211007_Cowley3_Plasma_8_70-434-HS7-A_C18pos_rep 20211007_Cowley3_Plasma_14_34-417-HS7-A_C18pos 20211007_Cowley3_Plasma_14_34-417-HS7-A_C18pos_rep 20211007_Cowley3_Plasma_23_82-463-HS7-A_C18pos 20211007_Cowley3_Plasma_23_82-463-HS7-A_C18pos_rep 20211007_Cowley3_Plasma_25_46-421-HS7-A_C18pos 20211007_Cowley3_Plasma_25_46-421-HS7-A_C18pos_rep 20211007_Cowley3_Plasma_26_58-429-HS7-A_C18pos 20211007_Cowley3_Plasma_26_58-429-HS7-A_C18pos_rep 20211007_Cowley3_Plasma_15_47-421-HS7-RV_C18pos 20211007_Cowley3_Plasma_15_47-421-HS7-RV_C18pos_rep 20211007_Cowley3_Plasma_27_35-417-HS7-RV_C18pos 20211007_Cowley3_Plasma_27_35-417-HS7-RV_C18pos_rep 20211007_Cowley3_Plasma_34_83-463-HS7-RV_C18pos 20211007_Cowley3_Plasma_34_83-463-HS7-RV_C18pos_rep 20211007_Cowley3_Plasma_39_71-434-HS7-RV_C18pos 20211007_Cowley3_Plasma_39_71-434-HS7-RV_C18pos_rep 20211007_Cowley3_Plasma_40_59-429-HS7-RV_C18pos 20211007_Cowley3_Plasma_40_59-429-HS7-RV_C18pos_rep 20211007_Cowley3_Plasma_6_31-417-LS-A_C18pos 20211007_Cowley3_Plasma_6_31-417-LS-A_C18pos_rep 20211007_Cowley3_Plasma_9_43-421-LS-A_C18pos 20211007_Cowley3_Plasma_9_43-421-LS-A_C18pos_rep 20211007_Cowley3_Plasma_16_79-463-LS-A_C18pos 20211007_Cowley3_Plasma_16_79-463-LS-A_C18pos_rep 20211007_Cowley3_Plasma_18_55-429-LS-A_C18pos 20211007_Cowley3_Plasma_18_55-429-LS-A_C18pos_rep 20211007_Cowley3_Plasma_33_67-434-LS-A_C18pos 20211007_Cowley3_Plasma_33_67-434-LS-A_C18pos_rep 20211007_Cowley3_Plasma_2_56-429-LSRV_C18pos 20211007_Cowley3_Plasma_2_56-429-LSRV_C18pos_rep 20211007_Cowley3_Plasma_4_80-463-LSRV_C18pos 20211007_Cowley3_Plasma_4_80-463-LSRV_C18pos_rep 20211007_Cowley3_Plasma_19_68-434-LS-RV_C18pos 20211007_Cowley3_Plasma_19_68-434-LS-RV_C18pos_rep 20211007_Cowley3_Plasma_21_32-417-LS-RV_C18pos 20211007_Cowley3_Plasma_21_32-417-LS-RV_C18pos_rep 20211007_Cowley3_Plasma_32_44-421-LS-RV_C18pos 20211007_Cowley3_Plasma_32_44-421-LS-RV_C18pos_rep 20211007_Blank_Cowley3_C18pos_1 20211007_Blank_Cowley3_C18pos_2 20211007_Blank_Cowley3_C18pos_3 20211007_Blank_Cowley3_C18pos_4 20211007_Blank_Cowley3_C18pos_5 20211007_Blank_Cowley3_C18pos_6 20211007_Blank_Cowley3_C18pos_7 20211007_Blank_Cowley3_C18pos_8 20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_1 20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_2 20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_3 20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_4 20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_5 20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_6 20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_7 20211007_Cowley3_QC-PlasmaPool_C18pos_10uL_8
Factors Treatment:HS14 | Source:Artery Plasma Treatment:HS14 | Source:Artery Plasma Treatment:HS14 | Source:Artery Plasma Treatment:HS14 | Source:Artery Plasma Treatment:HS14 | Source:Artery Plasma Treatment:HS14 | Source:Artery Plasma Treatment:HS14 | Source:Artery Plasma Treatment:HS14 | Source:Artery Plasma Treatment:HS14 | Source:Artery Plasma Treatment:HS14 | Source:Artery Plasma Treatment:HS14 | Source:Vein Plasma Treatment:HS14 | Source:Vein Plasma Treatment:HS14 | Source:Vein Plasma Treatment:HS14 | Source:Vein Plasma Treatment:HS14 | Source:Vein Plasma Treatment:HS14 | Source:Vein Plasma Treatment:HS14 | Source:Vein Plasma Treatment:HS14 | Source:Vein Plasma Treatment:HS14 | Source:Vein Plasma Treatment:HS14 | Source:Vein Plasma Treatment:HS21 | Source:Artery Plasma Treatment:HS21 | Source:Artery Plasma Treatment:HS21 | Source:Artery Plasma Treatment:HS21 | Source:Artery Plasma Treatment:HS21 | Source:Artery Plasma Treatment:HS21 | Source:Artery Plasma Treatment:HS21 | Source:Artery Plasma Treatment:HS21 | Source:Artery Plasma Treatment:HS21 | Source:Artery Plasma Treatment:HS21 | Source:Artery Plasma Treatment:HS21 | Source:Vein Plasma Treatment:HS21 | Source:Vein Plasma Treatment:HS21 | Source:Vein Plasma Treatment:HS21 | Source:Vein Plasma Treatment:HS21 | Source:Vein Plasma Treatment:HS21 | Source:Vein Plasma Treatment:HS21 | Source:Vein Plasma Treatment:HS21 | Source:Vein Plasma Treatment:HS21 | Source:Vein Plasma Treatment:HS21 | Source:Vein Plasma Treatment:HS7 | Source:Artery Plasma Treatment:HS7 | Source:Artery Plasma Treatment:HS7 | Source:Artery Plasma Treatment:HS7 | Source:Artery Plasma Treatment:HS7 | Source:Artery Plasma Treatment:HS7 | Source:Artery Plasma Treatment:HS7 | Source:Artery Plasma Treatment:HS7 | Source:Artery Plasma Treatment:HS7 | Source:Artery Plasma Treatment:HS7 | Source:Artery Plasma Treatment:HS7 | Source:Vein Plasma Treatment:HS7 | Source:Vein Plasma Treatment:HS7 | Source:Vein Plasma Treatment:HS7 | Source:Vein Plasma Treatment:HS7 | Source:Vein Plasma Treatment:HS7 | Source:Vein Plasma Treatment:HS7 | Source:Vein Plasma Treatment:HS7 | Source:Vein Plasma Treatment:HS7 | Source:Vein Plasma Treatment:HS7 | Source:Vein Plasma Treatment:LS | Source:Artery Plasma Treatment:LS | Source:Artery Plasma Treatment:LS | Source:Artery Plasma Treatment:LS | Source:Artery Plasma Treatment:LS | Source:Artery Plasma Treatment:LS | Source:Artery Plasma Treatment:LS | Source:Artery Plasma Treatment:LS | Source:Artery Plasma Treatment:LS | Source:Artery Plasma Treatment:LS | Source:Artery Plasma Treatment:LS | Source:Vein Plasma Treatment:LS | Source:Vein Plasma Treatment:LS | Source:Vein Plasma Treatment:LS | Source:Vein Plasma Treatment:LS | Source:Vein Plasma Treatment:LS | Source:Vein Plasma Treatment:LS | Source:Vein Plasma Treatment:LS | Source:Vein Plasma Treatment:LS | Source:Vein Plasma Treatment:LS | Source:Vein Plasma Treatment:n/a | Source:n/a Treatment:n/a | Source:n/a Treatment:n/a | Source:n/a Treatment:n/a | Source:n/a Treatment:n/a | Source:n/a Treatment:n/a | Source:n/a Treatment:n/a | Source:n/a Treatment:n/a | Source:n/a Treatment:Plasma Pool | Source:Plasma Pool Treatment:Plasma Pool | Source:Plasma Pool Treatment:Plasma Pool | Source:Plasma Pool Treatment:Plasma Pool | Source:Plasma Pool Treatment:Plasma Pool | Source:Plasma Pool Treatment:Plasma Pool | Source:Plasma Pool Treatment:Plasma Pool | Source:Plasma Pool Treatment:Plasma Pool | Source:Plasma Pool
L-Isoleucine 4664388544 4486266673 5741775689 6971823973 5864988303 6611088495 7317098619 6428957602 6071551381 5455808286 10747306753 7067605012 9280309037 9174602195 9997702264 8562303497 7139262896 8127538104 9392966615 8964442522 8002338882 6889990009 5349222033 5213036979 5914556138 5756790405 9022215006 6221200903 7896990000 7116268149 8884838401 7917375309 9415570105 7536571235 10005000678 12783078831 6104613548 7916081452 7748663184 8467258019 6127960652 6238477265 9800517374 10475139698 6539672473 8345146768 8045046280 6797239656 5588078065 6132115067 11242732078 9849365726 9193753616 8844300734 5516828841 5516168768 8003489855 7191411795 10035011959 11303661396 10143868771 10584050032 5296177839 5562751161 8082686786 9362721997 8600485846 7651123398 6927602111 6246929120 10680019978 9163283148 7782344793 8658269801 8607766740 8157259407 11776205927 11115096433 6063502756 6768179648 1191759.455 1077275.129 474333.0458 1143393.69 909743.7648 1205897.089 1263439.544 2068680.149 5385694444 4854225522 7536411935 8481127530 7055583092 5594507234 3493026883 7362960741
6-Methylquinoline 1454283012 1434564803 2793504092 2727397205 1408516379 1593018091 978868885.1 791644721.5 3137048755 2693385264 2607786394 1555470484 1260539159 1180729335 4410131419 3968810740 2898747141 2800067382 4456893260 4163607769 1939361688 1591189993 2149917787 2055452481 1872160404 1633201705 2061239826 1963391449 2301342783 1838301751 3211411678 3177340988 1337213817 1339877039 3377907595 3233654960 1358751363 1623348463 1759396946 1733660803 2292404586 2321104214 980965395.7 1176469250 766855680.5 906810496.6 1489965804 1307793567 2063264236 1933219806 2810031410 2220917381 901315556.4 869717346.2 1863236788 1570907609 1565842550 1276307900 3680284310 3341545237 2922621220 2696160199 2468398112 1862412530 2898627209 2806488558 3703436403 3201361946 3015956453 2685772802 4915427892 4676070839 2229837503 2095481634 3361398845 3089865813 3984758304 3842291829 2063639444 1529816454 187776.1107 7145368.341 26319528.91 22733915.8 14247299.69 11816324.41 5424126.296 5620677.448 9657609298 9059138384 8877179716 9675074959 8044671454 8022280761 7769234782 11143418116
DL-Tryptophan 4477784151 4293680501 3777833370 3647129651 3084620292 3310691549 4708829724 3968557099 3788021913 3225044985 6855626995 4106351182 5300042883 5580211464 6364097541 6057840518 5876013961 5626138108 6141290019 5953325090 4758829901 3813701137 5098469498 5294142736 3533860760 3273437909 4267693723 4149160335 4392144544 3848269287 5761397010 5551178680 5696141446 5864517054 4947283514 4798210128 2682348964 3319704103 4384379655 4208712249 5364624309 5013270445 5403478917 5397124809 4690123696 5650181953 4925875865 4426275211 3828305437 3888753318 8464111511 6942716734 4245531247 3935341543 4872190765 4424077306 5298684321 4658046173 9756223785 9808972979 5619259037 5331299912 6574681409 4979713252 7043206806 7172937482 4413689743 3737814909 4356935829 3736560056 7428574823 6161250464 7390041722 6686340203 4851333137 4818629814 8883760437 8822891089 4764083736 3938940903 548958.9618 747518.8233 693303.5481 649841.964 512804.114 458722.799 508803.1219 762511.8356 5144152089 5171915374 4622575653 4811398972 3985467081 3685277623 3564858196 7018496228
L-Phenylalanine 3550386883 3739060125 3022659147 3040046309 2810800769 3043263534 3408200953 3000341307 3464461314 2591765019 5703316144 3597269518 4448084851 4642392704 4840230448 4236424716 4027966209 4688293789 4150981342 4175705021 4398547893 3918743980 4417042251 4476682991 3794141438 3504896116 3708737861 3893676197 3216373866 2664760094 4453130421 4165135471 4769285574 4584840458 4927271010 5870429651 3254189878 3424458784 3695985011 3587795413 3719874599 3804524592 4216215167 4504444540 3279404408 3845318369 3778055524 3518611393 2808470465 3047952118 5354343376 4508760123 3795197133 3425523554 3693553132 3517041381 3724024534 2997727421 6656917184 5687943827 6263784281 5634439854 5258635257 4311321493 4342852002 4424584709 3652351401 3238155898 4063595161 3487133180 5761796872 5232974565 4912340305 4137956397 4301886611 4441571815 5661300267 5306592292 4073291398 3459327574 774728.9197 1616248.899 1149381.725 1099860.965 1013163.578 903867.7374 876397.5645 1557305.054 4203355485 4023749901 3696644228 3958645935 3098599818 3158828297 2994508409 5304253814
(2E)-3-(3-Hydroxyphenyl)acrylaldehyde 3460787342 3657277054 2939393812 2961371659 2734403334 2968957688 3326973116 2927605282 3353096217 2511755575 5513518945 3499433552 4315706626 4483541868 4650932561 4087369444 3912463619 4577601016 4049155661 4070490554 4225598086 3785006346 4224716917 4321518122 3664534172 3375431824 3601341294 3787184502 3109000093 2580401900 4299913943 4039445579 4619013152 4446700318 4757108294 5711996143 3170190507 3316483325 3577694394 3475328778 3590686944 3674279282 4103648000 4360220781 3170524918 3736131046 3680418799 3421067855 2736378660 2974808077 5142731677 4380976958 3695872606 3334248724 3583298445 3424657077 3609212732 2907147857 6411407738 5467576786 6007717177 5410020235 5059875684 4131806513 4194519075 4287295754 3537440915 3142118965 3948696857 3382555826 5560549012 5055412357 4734836592 4000863977 4180106575 4314504897 5550336606 5157452738 3969051641 3373925371 509612.6644 1659564.561 1081549.131 1023137.927 1333353.406 844512.0578 868388.3028 1454339.774 4095275617 3884301874 3569653437 3870199391 3022135488 3082151362 2907138498 5132366273
Caffeine 2345840092 2392377366 2976298538 2916821504 2387903326 2672437353 2463205770 2063356052 2842842780 2266242485 3412745871 2256347930 2808261807 3049575026 3419385502 2986684499 2943922034 2926416264 2928166469 2945259771 3365037558 2834400004 2888646655 2924858393 2880144353 2750548912 2719948884 2736709007 2867269760 2387259217 3217741085 3064917459 2950889723 2947245455 3138733139 3018574646 2109403080 2519042515 2554791746 2442749152 2783542700 3016911033 2453837544 2605937028 2260178111 2511237029 2447693998 2427901221 2627558967 2650901659 3123508336 2499532343 2545844715 2378553231 2447772654 2179948206 2656234479 2246741773 4526726780 4387810804 3165395330 3093727634 3103148940 2592765228 2910104952 2940360208 3283997716 3065089806 2964852888 2618175044 3702027866 3329683927 3287705607 2986669620 2898233310 3109467756 2889763648 2843326604 2704157373 2304323976 1405305.86 832979.6189 604403.4276 689777.8248 549711.5043 579036.4768 752811.9736 1492863.164 3248290002 3005435204 2942719019 3010818240 2564059607 2453485100 2365616294 4024736150
L-Valine 1430746548 1424014084 1426070042 1329309591 1441262932 1460336302 716425708.4 1131632261 440350931 384030714.8 1502943692 1514159698 2114451104 2188426865 2282865381 2229161284 2087202433 2117981746 2330250262 2058898897 1582691849 1452308622 1509552295 1728538964 981356785.4 971471750.1 1751941301 1930766405 757601454.1 485978048.6 2232907692 2056340609 2290637050 2323937712 2896147084 2811615190 842546780.8 864693374.3 1784194893 1602846200 1640846979 1532096383 2376297200 2434506496 1661955844 1731667804 1188786015 1058489538 1337009589 1327483290 2460064026 2178487532 1758804481 1716283180 1795162241 1374188334 1398595971 1614689345 2681200982 1053149182 2465702283 2582086657 1892832159 1436455530 1644750997 1849298536 1208095589 1807497110 1290343176 1156853342 2624172383 2299640100 1949358920 1868260531 1458437098 2002996521 2594100979 2665976773 1827473400 1745947266 1573451.102 1682916.069 2704689.407 2859798.823 2704628.143 3099509.981 2974716.912 5116147.137 1749340680 1787628791 1502427478 1446279128 1401872110 1444020325 1379006820 2176220937
Pivagabine 33684878.47 33625659.04 44784484.02 43357247 1585814077 1727123206 16936247.55 12175295.39 39667890.28 32992877.24 33300485.27 23120164.51 2021021774 2137850699 584875138.6 564167110.7 12304075.49 12929439.71 31631110.88 30359729.89 64236463.29 53780801.7 77184299.93 89056639.15 28969580.7 30920047.49 1030826434 1050144620 38893391.84 33821529.77 41476257.26 37659448.69 152794501.8 141463335.8 14749416.54 14417141.07 876900665.6 1088413193 18088415.54 18827523.9 24387110.92 25051685.63 1322541893 1310535533 9995458.048 10159161.57 27569912.81 24080519.75 20948137.94 21121031.13 18456344.7 16953447.08 1110003141 1075178138 15598952.48 14446904.82 31324103.81 25990780.6 31290566.49 24290964.08 19268854.83 19272761.03 1907714552 1548787241 14566922.11 14142730.64 42127467.45 37414251.33 123350547.9 104959371.2 900403896.7 770072153.5 397960270.1 367977987.6 43862501.75 35144782.31 217012089.9 215419997.3 642892400 576030501.2 6913470.261 7800863.072 8225926.665 9006278.141 8708051.638 9291028.473 7057751.13 16959959.26 360677687.4 353901774.3 336610923.4 322936585.1 283806772.1 267694741.2 259464637.1 464232438.6
Dipropylene glycol dimethyl ether 35912894.37 35315764.69 40001760.21 44313577.38 23336325.6 31800642.64 36159049.75 34945160.05 43190926.91 36281383.47 45755142.78 32904861.12 36127774.55 39075725.39 44025031.47 56890786.23 39847853.58 41200787.07 44500206.01 44716894.83 46721831.65 39210141.28 45256574.79 45441845.36 46706255.33 46832349.16 36729678.11 49851284.67 35702893.92 33294153.31 51038263.84 53098598.1 36531405.17 49273676.8 44659920.7 47182726.63 32699106.11 30991381.03 36232646.44 37867681.14 44427951.03 56322050.92 33647115.98 43375232.1 37882961.06 39782589.47 34617551.19 41619039.54 37294853.18 35086023.9 44204963.42 41140453.27 33108064.22 36442336.51 34120027.64 33399987.92 34333390.13 31213809.43 48841465.52 67249229.31 51211353.7 60360656.78 36550342.91 58551073.96 46457707.21 47542949.98 44025725.91 47546624.92 42558592.85 39304908.22 53177364.38 59878149.06 44340420.08 46473963.97 42895174.18 45578372.27 41488742.57 41403793.16 33629439.55 37766747.21 29805950.9 40355765.04 61225118.48 55348177.4 50440477.86 55113731.96 50951401.35 102079424.5 1844176498 1828289437 1692412612 1498471239 1454824337 1411039397 1350732165 2324395255
L-Methionine sulfoxide 664508221.2 673352868.4 807269191.9 705690295 595806551.2 632166990.9 521237666.1 501763499.8 420861739.2 398699205.3 665634296.1 519669622.3 883345118.5 864112985.4 1072883155 992460416.9 768364646.4 719651969.5 554532203.6 526335226.5 835043025.5 884477313.8 982014510 1040908037 580978437.9 567966982.3 661023553.4 669915717.2 518373131.3 591853061.1 1613682905 1507210836 746825830.7 630714707.6 821655321.4 668713770.1 362043751.6 358340871.5 529281367.4 542707971.7 746008159.1 887868246.7 1046612897 899536563.3 708690540.3 627135425.4 507449781 477156301.9 691082398.7 867251418.3 712415153.3 615389031.6 756240980.1 836014675.2 601200504.3 525579011.4 564521952.6 479963480.4 254696315.5 819792951.3 857657651.8 884272372.4 759065332.4 587403907.5 714160240.7 810953938 727887115.8 606155574.6 370496412.2 283195617 1250932418 1103090893 1229338306 782689184.8 509787636.7 487622483 637670265.5 562423374.2 342425986.8 335435997.4 1843733.403 206190.6477 513192.9727 1361679.136 147810.9973 387908.5243 861510.8218 2208619.604 536143903.1 827699155 751673694 708196086.8 474478763.8 608818641 531341356.6 823717880.7
Pentahomoserine 417825892.5 398187732.7 584458126.7 604640008.2 566524958.8 552847749.5 749301666.5 775357935.6 505977898.6 512087884.2 663810976.3 644001209.9 808600727.6 844371795.6 1027806639 1001215885 879849683.9 862552329.7 711880045.8 444972413.7 344263980.5 292142552.1 700508798.4 778395112.2 427545417.1 428522386.7 799869040.3 809921914.3 828709327.1 783687981.9 1027134759 1046364077 804858092.1 815897880.6 1245815986 1364887683 413071828.4 398108709.2 510270513.1 507883045.2 688915467.9 724544421.8 612362461.9 963930904.8 760620213.2 803252521.7 396882326.4 739774427.1 654541458.4 569154118.2 1069602007 604692704.4 695039255.6 731978469.5 638906824.2 33575151.53 732764558.3 768552952.7 1177169568 62089321.88 1302887143 28753334.23 652633730.5 672840090.2 977056761.7 597691875.7 795601930.5 756603108.4 554462562.7 502705496.4 1130833193 1233947756 14813858.14 185007755.6 592567794.8 685316179.9 121832696.5 1147186671 539643449.5 7904579.838 1530954.716 730862.4201 651157.5641 447655.8767 237153.311 526429.0913 1451849.628 519419.8331 758315038.4 733438602.6 367216004.1 666906561.9 658679290.8 588003747.1 610166341.4 762495731.6
Valine 424455617.9 428150114.7 293483742.9 296936509.3 299681346.7 368971741.1 268963470.6 253702822.7 377531441 363539035.7 354426256.2 480600171.5 459855279.3 364544538.5 615691392.2 531240019.4 382323610.2 384403017.3 534841454.4 646686661 280172494.6 235487418.9 364758855.9 371395896 619530876.6 538915810.5 359654721.6 352133001.1 494922200.1 411384956.8 373783010.2 515972719.6 316836062.8 425478178.4 432315359.3 422099686.4 704661735.2 541855254.9 400099595.7 378046145 375285739.8 483939032.7 428853639.8 365615658.5 343110919.7 280892664.6 368345688.1 371546684.7 435634875.6 445363498.2 503846246 542909522.1 369649039.2 358329747.4 352739535.3 375327754.8 268163682 359875379.8 1059587593 1316610634 524699697.2 595068134.4 487369406.7 269652974.5 519858681.9 484529262.7 316959243.9 158848781.8 441623422.7 435073031.4 553270736.1 366206402.6 252936746.4 455148215.1 502271035.2 590499671.5 365131082.5 675555571.6 544679457.8 537191099.6 262601.793 655632.4758 644714.1458 439274.5565 595234.7987 770586.1754 486384.6044 757225.3446 471711064.5 436341465.7 396864039.8 210529789.2 431018545.5 382741858.7 350014987.5 502645897.7
9-Anthroic acid 578606888.6 598498870.6 617954653.1 603098080.2 501514209.1 512971221.1 613641203.4 502221493.5 593894416.3 499049902.7 913600044.2 544280779.1 661717733.9 684616275.2 652788166.7 623926490.5 603253867.1 598890711.6 601004145.8 587733452.2 796246265.3 671179618.9 719051035.7 750532330.3 685756327.6 684031406.3 555037250.5 543087634.6 619164091.6 536750091.8 735393995.5 706224301.1 721811672.2 708103896.7 636963112.2 611243688.2 509841454.7 582493229.1 609889213.7 612727557.4 726012483.1 695392506.8 536690933.9 570998860.7 570685519.7 614204749.3 587437666.3 613039704.9 557662242.1 558728333.2 692808341.8 570122073.2 575397849.3 543567346.1 498348498.3 466001620.7 608204889.8 528557880.4 1293449404 1085839075 824385388.8 826096429.3 669172251.3 528084980.7 690369236.7 697494846 677004323.8 645510041.5 621872375.1 552580793.8 766645776.8 716640344.6 751967513.5 702504392.3 646467961.5 600092052.4 601276488.2 600817730.3 571947802.9 456149645.7 121297.9629 120098.9561 96571.90444 112682.2611 106856.2607 103044.4825 103144.8106 204687.6789 724904030.2 609895955.7 568762062.2 547493868 492028867.7 486375114.8 494156671.3 881841057.7
4-Ethoxy ethylbenzoate 64137636.92 65022981.49 61460073.86 60048544.03 58801012.1 64304188.57 57130045.39 50312824.73 52408022.26 57462241.46 97805181.17 91382760.89 72390870.29 15656799.67 74039891.89 76931185.4 63829053.81 7654974.77 59521974.94 61651491.83 89441646.41 92748289.82 68989289.8 77238887.66 77719749.87 86250707.03 57057819.43 53288956.22 56163662.84 53452616.22 88923543.94 92652015.52 75050419.59 71321012.97 63103608.89 63883117.92 58296329.3 62586152.81 54616485.16 61536715.69 75233060.6 80092578.48 76361139.26 74788029.89 61664388.58 60443781.21 64325096.18 59701162.11 62173147.07 59362221.11 71866982.28 68724198.2 41898718.95 56212411.92 60404721.57 59641053.55 54832471.81 55666991.51 1036258030 100510950.6 68297264.55 75449158.06 70346906.81 75934655.84 73515795.1 76356865.06 66942593.96 73043774.21 55458028.67 55706475.39 81488430.56 88374015.32 86921637.86 96527811.67 64233146.21 66522931.1 60635421.98 64017460.75 51280490.53 54363536.39 122516340.5 95903247.88 85143152.94 81815469.53 78937200.63 63141970.29 71943125.55 111125877.4 87059503.18 73003228.46 67235724.49 65082444.09 57151272.38 57402822.2 54799347.98 102330308.5
l-Histidinal 81230490.88 41720381.18 530410285.7 99098764.92 231797361.9 126866266.4 243429790.6 285636188.1 376376827.6 503170122.7 138314907.5 136537507.1 276996430.7 249763062.9 73691104.43 172924885.9 159989364.4 47418478.45 196495802.6 199275841.1 55041764.47 46177503.41 56072806.76 50064748.26 36843062.29 53579259.37 56909394.43 51097256.15 12040811.95 268306317.7 174453948.3 60473325.64 160479378.1 174758192.8 146600082.4 51589837.05 1083373395 207548416.8 449081499.5 320031951.2 41677109.66 150866439.9 200172255.7 202606228.1 160372448.5 188249044.5 62421516.55 186530147 374916196.6 30581917.4 184252552.1 710719830.4 202915605.5 29968688.83 246231652 251239673.8 239130304.6 448386445.4 81746408.97 112728848.1 187539373.3 155258376.4 77398423.93 352152501 82617610.58 193514000.1 30707836.46 165035934.6 62780944.95 633074989.2 44155069.64 160097602.3 189690058.2 48237659.06 207484227 48226691.68 40105190.86 244329062.6 338683680.9 330625485.9 41930010.74 197929110.3 149440487.7 261143340 176034606.6 181775141.2 75759423.06 185666915.6 246913527.7 373846410.6 273181612.7 233722159 58425479.25 63640241.43 261654480.6 276988602.3
Adenosine 22479786.35 23282646.6 1563245.461 1706342.763 2026766.627 1809377.099 93455570.76 14556905.97 35796968.12 1396538.21 37686699.18 22323224.11 829928477.8 35036397.96 2558606.321 2437922.576 11405069.2 11672079.59 592366.9879 665116.8531 24463182.54 19505038.62 2105733.04 3282972.973 573389.3354 574681.6377 588299.0385 782492.7766 1368789.644 1276071.849 1035801.399 1077304.845 417027210.6 21413809.89 636548.4064 1472479.222 515561.439 904677.0197 27786795.23 25166140.81 71721756.68 69948717.31 1233451.611 2224381.983 29899119.03 29940649.94 124024103.1 5254810.642 821166.5462 1042538.497 2555261.891 3118788.957 856370.0318 930564.9198 17357351.21 17053388.81 40454233.6 35572868.65 2853751.461 2611500.89 1537614.211 1671777.703 1100212.23 2156017.233 46568765.17 46107073.42 1798405.114 1468142.642 22152844.2 19381517.02 1550546.209 1736814.117 44111027.36 37691246.78 268250177.5 28867460.51 1412809.335 1611463.661 739470.9936 1010198.748 641587.7793 5225305.818 2404605.446 1389251.523 1231383.927 1026058.758 1045279.405 2115037.115 10615402.39 11351987.43 9963719.654 8990826.224 8235108.056 7496817.05 8245984.751 14988447.91
L-(-)-Methionine 1267521.382 117053190.7 1992639.003 754394.0276 800451.9096 464919.3531 738971.6709 811787.9224 1690306.639 893746.8765 813405.505 344440.0704 717444.3187 771471.7652 613260.8356 686526.7761 889946.7396 877893.4301 752315.2675 809143.9815 726127.7253 327428.3967 508318.5294 298273.4425 324008.443 489936.2208 692046.0663 1161340.682 946649.8157 1267803.89 378097.0529 611568.9079 764328.2484 786055.3026 809364.4367 844974.7681 1081264.525 773787.9513 1372623.156 1771337.78 736571.9032 482829.0492 622556 935978.7961 739580.4281 779604.2216 648693.4986 847958.4896 463353108.5 470356640.8 654743.5101 762541.7155 623999.1909 774144.0995 1330620.905 1316512.389 2025074.313 1803041.088 4973900.725 4434999.189 735808.801 1045278.879 23328089.08 340785.8926 592806.4702 713133.9632 376489.562 896701.7129 1193689.584 1160151.216 941747.583 977693.1288 955441.7624 656586.5206 808386.0646 829555.9618 1365669.849 1339647.751 1086914.443 671630.3096 194514.4423 133318.4593 94321.6333 149435.9422 230421.9773 162240.1226 210419.2525 1330597.132 649882806.8 440595733.6 439720185.2 387508615.6 563892121.1 718766039 9273931.126 2998173.326
Creatine 391197076 384540339.8 249130442.5 240526038.4 209077436.5 207593294 138896775.4 181173322.9 228496446 212302248.7 781503904.2 697111724 342060348.4 349140087.2 394920320.3 386100969.3 149554932.2 149146022.3 301469857.9 209229699 843585323.2 877056868.7 815668626.3 804840143.6 699670518.6 601978556.1 178658057.6 264417810.6 271718534.4 241800065.6 343539639 360657026.7 588520143.5 572378395.7 273275211.2 439151559.7 285503480 484791663.3 638294157.7 656057944.2 169910137.5 169117970.8 292271118.3 305880465.3 141279769.1 142943457.4 145264905.6 138379071.1 197167600.6 195807780.1 193704341.7 172650277 297201380.7 306852245.9 166287851.5 157775026.3 192424535.8 187663670.2 369954199.5 407877177.5 306127828 298996742.7 182719518.8 220953209.7 171012478.8 162174801 219260190.1 190587417.8 232753520.8 210515865.4 217820852.7 299996428.9 176669914 215513504.5 220746536.6 249112192.6 220491578.3 330654062.5 161857638.9 164319437.7 2056497.434 13064556.5 5926068.273 4585516.133 4586680.806 4293457.716 4514656.042 6468695.67 366666096.4 221423722.6 186552272.8 283738340.5 248649154.9 252779334.2 240004176.9 334061926.7
Pipecolic acid 386804023.8 398634652.4 315397148.4 334639804.5 308200020.6 311641038.8 409889539.6 414660000.6 351042106.7 370060098.1 460704900.9 563848863 529879687.8 527671638.6 555307863.1 497394264.4 462680138.9 508374723 537466462.6 463071554.6 519707013.3 462325644.2 530721334.8 661009335.5 526699714.1 382962608.9 383026518.8 366145111.9 465368216.5 400658751.4 594197607.8 562383390.2 706922907.3 622085725.2 501572883.6 464411652.8 454796333.2 471078233.2 549396378 607914022 445005278.4 458261507.5 477747438.6 463288760.5 385412529.9 377210624.5 275669200.4 358794244.9 310795241.6 305260320.5 621270039.8 603629885.7 321064747.1 353891886.8 427770342.3 413797647 498896497.6 514300348.5 726452180.6 798542286.5 647780911.1 493973875.9 449578524.4 481354810.3 467155962.2 520643100.7 332158791.2 345365757.1 554550450.8 544177896.6 624177656.7 613233910 569653808 514127160.4 531488264.5 453907109 542841602 538126043.1 403153162.4 402958703.1 1165823.582 6054295.883 3721464.307 2670820.843 2673073.372 2495941.595 2866050.326 4662477.628 515826034.3 472290914.3 385136905.5 352539643.2 390135228.8 389831053.7 309893665.8 675154853.4
N-Acetyl-L-leucine 9659099.072 27752191.75 10164380.76 7714453.687 439058505.6 550825958.2 1463094.9 6981323.308 11343594.59 6774351.472 5061423.481 3016169.252 539336835.2 686405339.6 205759391.2 172002492.1 7936486.253 2937400.251 8237829.25 5970501.335 21114473.06 11190189.12 10557920.06 8067839.763 5677794.705 5837147.634 304311821 352733209.9 5880112.827 10865379.29 6162715.587 5960140.573 23042887 14466625.38 2939430.381 3990956.451 183982743.2 208859638.5 2318708.244 2611393.313 3167390.006 4108664.72 463783910.8 275097322.3 6066885.614 5258909.605 5536721.094 12120774.98 2935762.252 2209553.295 14391564.18 17115453.13 315726004.6 218223567.9 3031087.389 3181616.136 4105685.093 5071489.25 18776132.12 6549559.605 4759281.519 2389074.238 715325966.2 434742301.4 20435003.7 3277147.259 10348462.16 8336675.899 25676682.48 24638823.44 183804616.7 140736118.2 29333907.65 24431224.62 7119339.726 10769821.52 77149466.15 161640661.9 209878710 196754003.7 558597.3967 535835.1509 497692.1161 570307.4452 557992.2315 566299.3174 575224.7244 952560.2971 80805199.1 80695287.95 75409504.15 73683642.12 69334526.11 64479308.7 61670325.38 97753699.14
Bis(methylbenzylidene)sorbitol 251688584.3 252962854.2 277871904 266114105.4 230563343.8 239833489.5 284923016.5 245983004.6 270290400.5 244827135.7 448479301.8 271826039.1 319326692.6 335700682.8 334877897.2 290618456.9 292925093.8 281316608.8 283364331.4 281706288 257224939 204910629.4 199524316 187513709.5 169499387.3 182679238 135328700 130481673.1 151886046.9 133443311.3 235073473.6 208488089.6 205249606.9 185500707.4 181211100.5 158323451.4 116834904.9 138473909.1 150967765.9 158018204.7 337767800.1 330634746.4 341009206.8 276323496.3 320253494.5 287993576 332530822.4 291711252.6 241792260.3 247591166.5 305571436.2 264172003.3 275449012.5 237209626.8 226453065 200309625.5 297825911 261436012 750237893.9 704044028 233414212.3 252966779.7 165554334 125020628.5 169522829 168906465 168891913.4 147213896.3 155533530 142024670.9 201242894.7 195311187.3 220363371.2 204381664.3 165399403.6 149567758.7 146092914.6 143893207.7 131041615.7 137718384.3 35994790.35 55766547.39 46584351.89 38141267.17 36760397.97 37697330.56 37059282.28 90889016.61 302919442.8 270903765.6 213810423.5 171603474.2 182685661.3 173191277.8 175138473.7 439666908.9
Cyprodenate 36551543.38 33245575.62 43090781.58 35505715.87 23446684.3 22912974.04 56467732.82 66855612.61 28186573.51 18295148.91 30308884.03 22866699.15 42480829.69 29620823.08 47205293.39 44551171.97 17958906.48 20110292.06 41208661.48 39301228 116951732.4 71924161.61 46060812.49 57598199.44 63672502.46 53727998.33 53190313.94 49680785.8 58301076.26 65315787.45 72217656.42 79680504.5 78507025.34 89737701.94 60623305.67 60865335.97 24309653.1 33861751.38 27290715.89 30303211.89 21475435.44 32212292.69 34714132.76 39864976.98 20423647.52 21953546.64 22818922.99 27867654.36 54495289.37 53315250.59 36818088.6 33664507.87 28306534.58 30555337.34 46065213.46 55280386.79 38148829.21 35777674.1 196801070.4 78098520.3 543938032.8 547935632.8 152433223.2 115735035.5 131788364.3 139546263.4 46070726.58 39833549.48 448090406.8 380155659.7 51795115.3 61586249.71 83324424.19 72060871.29 84713729.69 87067520.1 37660609.25 50255210.5 189998760.1 169014218.3 12135734.58 18653135.04 17654752.85 17229568.54 16886382.92 17075910.58 21439864.28 34721199.37 90749352.06 72944384.58 69298938.22 67384674.83 60132200.93 64560910.38 56505025.98 104047588.6
Cytosine 167451763.2 621535740.5 51867603.12 118028350.7 474431739.7 155659796.6 40715559.51 16246552.28 22708950.99 18115847.75 52612396.68 70562882.41 51424941.46 54662082.54 36266088.91 740840347.6 35017661.55 33334118.61 40846151.08 50641137.28 29042867.34 59213291.19 522488.4538 44742782.01 82938893.2 85633332.68 16925732.84 16583746.13 11489857.32 15014536 41822497.64 42838997.09 45259854.8 42418370.41 45442451.91 29311239.7 53406239.26 46692742.78 7017663.213 30257908.65 20373259.76 49643275.04 20074723.35 20150782.74 16176568.92 33335525.25 37369356.85 31586624.88 98946307.52 199637295.2 55815936.95 52965639.77 20046725.85 17398468.41 9709729.03 9564461.362 25096940.35 32711122.5 39556311.46 56010533.59 112036388.4 130748403.1 39242400.77 792100741.8 16909513.81 12933729.6 37173389.82 42088677.75 73226210.32 46855616.67 62586782.75 63828937.19 64913254.49 60117018.39 60196908.14 67252398.61 64260223.38 72176036.62 47310533.6 39915736.34 341962.1002 108964.9723 96487.43575 114487.8756 75575.98787 70320.69553 79868.04415 55365.51423 35978699.72 49561242.79 76044366.86 56405020.76 434211445.3 482661410.3 427238349.2 453256735.7
Dioxy-creatinine 225489457.3 71662517.78 180489109 109640467.7 136237776.7 224815891.7 200986234.3 191843729.9 227486402.8 204918676.1 386444190.4 310173461.3 278050770.4 275355032.3 95102510 76944310.31 253673718.8 242506953.6 111236208.8 279563595.5 129026545.9 179896797.4 181276586.8 38113123.64 280228222.7 278354279.1 234528048.5 85851666.47 84325838.49 251988511.4 306947136.3 87710708.61 180869583 217366849.5 367003327.3 71909617.92 122963770.1 408798407.4 137474003.8 181011870.9 74980829.62 198214155.3 225625524.6 60123780.4 39925872.66 203762912.6 233761041.3 125233200.9 109415999.3 166635038.1 288684169.1 125507962.1 79211288.09 105049178.6 175721775.9 259705281.5 276037945.7 285046248.6 487564283.3 397677102.7 229477527.4 270572277.5 210215723.2 84977200.38 58222697.64 271787068.2 182459758.7 194741616.8 176642127.7 293650031.8 158142837.9 344826583.6 254069433.3 304057735.5 260118833.6 299900107.6 104520602.3 340611238.1 165969738.6 241390128.3 1246930.672 1925527.167 1935248.582 1886959.4 432429.8416 1042616.48 1833570.858 2379430.631 234126452.3 250356623.3 232098614.3 132209724.5 108988480.1 231811447.5 204405004.2 312703840.8
DL-Lysine 211708415 212219215.6 169943834.4 165999774.8 220090775.7 237175505.7 221848084.4 178711642 204095414 162810636.8 319606368.3 208917597.4 331064617.1 337918046.9 304529107 255600763.4 314392727 324666101.4 334850960 297822015.1 232871547.5 188819560.8 313297407.7 310478630.6 323534152.8 312890084.2 208830661.2 189054011 195714667.3 142690492.2 296329228.8 244848162.6 320257471.7 301610057.3 276542406.3 265004188.6 226405247.5 293371815.7 260598073.6 248256250.8 253879531.1 223250532.3 366423051.9 384837230.3 261884564.9 239265502.6 241041620.4 201538161.7 219220440.7 208146549.3 359498515.2 312665297.5 250122036.8 202768942.4 279537863.6 212876416 274566055.4 217570729.7 418370978 381157184.7 444720873.9 456515513.9 344327967.5 263334123.8 317417711.9 318306169.9 214715560.3 175403410.2 287043857.8 220547234.9 366981230.4 336827132.4 384172080.9 309630459.3 311986907.2 262345936.1 491053969.9 430947490.9 290115250.8 216290323.8 718653.0042 1049520.019 1354837.492 1135424.037 1174365.191 914083.4552 1296717.503 1556831.967 337053735.4 317892730.5 284484535.7 289545737.8 280035138.6 248096438 251061671.1 397147102.4
5-Methyl-2-octyl-3(2H)-furanone 32371969.11 29427861.13 38772196.37 31196097.64 21365683.35 20797808.57 46904378.33 57464334.09 25567700.39 15543356.27 27335447.29 20562009.69 37641123.52 25029257.64 39139864.61 40809660.09 15351869.2 16944605.83 36698147.97 34697001.44 105525602.3 65611046.24 37089485.44 49752983.98 54886561.31 42165163.91 47214425.39 43863426.87 48834765.41 57195417.73 67113168.39 73097275.62 70261403.66 79291612.2 45821560.02 48290690.4 21557734.86 31939573.72 24372390.83 26697116.43 17893228.77 28029094.14 28819022.97 35707578.35 14991655.97 17321973.53 17547378.41 24083602.17 47715314.84 47176358.63 32653538.88 29204555.44 25632367.56 28196966.31 40481663.62 51069829.83 34408663.7 31895858.58 185890355.5 67157043.26 472628838.7 481963833.3 143987418.6 107872851.3 119396507.2 125323246.5 38832043.78 34074541.76 410299392 347441667.3 41828422.85 52912808.46 72850648.88 62246998.38 74745308.47 76361065.06 31594981.45 45599192.24 181993381.7 153179399.2 13360026.16 17016878.26 15652033.54 15768354.85 15555378.04 14710765.84 19387542.49 30316834.38 78815078.83 65596285.1 60623597.53 61325741.61 53644869.39 58379229.29 50729082.29 90512659.81
Hydrochlorothiazide 300704.2469 323928.3303 302915.4587 294308.0269 275975.9842 306715.1566 293505.2598 250278.7828 296097.6704 283907.2825 630410.5049 1293387.02 505544.8903 386702.8353 380645.8985 399019.6578 299577.3191 319797.4989 300853.3793 330355.88 578999.5733 614671.9038 517971.7378 527723.9072 350357.5895 324059.8249 302636.9956 297332.4455 232430.1269 270866.7185 743861.5953 793364.0322 418878.1379 331393.8598 332940.3982 326527.4438 225754.98 244714.3337 292881.6684 250836.3825 591266.1399 606428.3471 415484860.9 365648844.8 264651.9002 326666.8986 320746.9795 257964.3267 277667.5849 283149.591 386662.9649 293020.3732 321529.8367 329153.5239 260372.9919 266980.8153 361962.8922 242490.3708 1316353.392 495041.9323 469776.2326 376421.1308 501298.8382 453076.449 394904.6719 410119.7313 355211.7057 311290.4134 258562.436 276894.4525 657796.8422 466093.4812 702731.7753 639723.6777 295545.7965 367440.0477 310789.8555 359471.1757 268060.0792 270556.8663 1234244.214 278420.0776 132279.3409 211006.7433 150036.854 152171.9036 141297.3754 332153.6183 14125041.86 14460137.06 14350542.71 11616438.31 10875583 10265992.54 9779959.62 19516805.05
D-(+)-Pipecolinic acid 176493881.8 179501644.7 147403547.9 140116958.6 185706476.1 201041811 189543741.8 146411314.1 171599766.4 136500988.4 263774457.1 173203103.5 276504623.5 284047745.1 251241010.6 215919065.8 261576552.5 276510275.7 283774717.5 251307595.1 191978903.6 155920624.2 256733290.5 256852132 265402497.1 257605645.7 176249739.7 161308528.7 165974948.9 118106127.6 247108273 204236127.3 265527906.9 259709822.1 234614709.4 222683924.2 185959729 244558526.9 225599787.1 208115400.1 214214861.8 188627973.9 305340020 325111967.7 217049922.5 199970231.7 202183743.8 167609813.3 187592800.1 174888977.3 297174373.9 259850222.5 209656149.5 177832424.1 236626573.1 178730374.1 229627938.9 183106578.1 340849360.7 306562853 366751928.3 373436550.5 286393754.3 212442556.8 269851681.7 268284119.3 184798500.3 145993546.3 242292204.2 187340774.9 304190847.6 278348071.8 318772927.4 257096159.7 260871103 224127198.2 408524804.4 361524935.6 245835414.9 183001023.4 579261.7605 1056946.635 1290243.365 1046909.178 1122318.954 842696.4888 1144430.374 1177064.316 286000432.8 265664801 240355985.5 240507170.6 235016680.6 215796302.3 213113904.2 332415035.7
D-Homoproline 109707946.1 123909202.9 68255328.22 64943592.44 79216320.38 84573739.18 133657357.1 97184938.19 127784877.1 62751264.78 324256802.6 78999624.57 115015444.5 86241996.12 209896431.8 99131324.07 148767572.6 170652913.1 135463174 180339041.4 41709452.34 49513681.37 296379344.3 100109990.8 62357476.63 69142399.22 78218428.12 100708821.2 54402268.92 56464544.7 105820614.1 97040397.71 197549074.1 350761085.4 245898209.2 134511501.3 141953409.9 160615152.7 208728902.7 195980748.1 100902212.2 104663511.4 225252956.1 366776959 171779191.6 176419347.6 127376852.9 120949996.6 98938063.02 88199255.6 113483131.4 99302912.09 98718471.62 99701591.45 127682297.9 116532047.8 94831991.97 59883848.39 314057722.2 131801620.7 45940614.46 70355223.65 120219398.4 110935276.2 240497582.6 189370326.6 146836325.5 171012195.3 129383033.9 151377975.1 156640745.1 135227509.6 167561547 175457824 294167830.9 156983115.1 277240237.4 303076195.7 142057561.6 127002891.2 3079930.063 597598.3328 2142530.348 350670.5763 751722.6 1297788.959 154196.5092 1237763.772 100962306.5 90750402.72 156180943.8 132524789.7 122990624.3 129979835.1 80258871.99 128587628.7
QS4476500 136860208 135579381.3 141545553.1 141373518.8 159542207.6 171266737.1 9034728.58 9781597.801 175789302.5 162849413.8 146159646.4 105304573.5 156214748 142814635.7 125512262.2 106748858.4 3411289.818 10558641.61 206827637.8 202028107.6 73768710.12 63242005.58 1514131.847 767213.4504 176444760.9 176552776.3 127850974.4 121309237.9 218109393.1 205372478.6 205282980.8 178484761.4 1657454.633 2159929.885 145877475.8 132501410.6 150404020.6 185592298.4 66713818.97 73558473.18 146554869.1 130719657 236404687.6 210378023.4 2821114.006 4224460.271 190412181.5 193788410.8 221809111.2 251691690.7 248649884.4 199126687.6 153353361.9 134702228.8 8558046.78 2269147.092 164750715.8 141273812.9 491163923.8 443351688 250029964.6 247018093.1 325129943.6 255610143.1 2019986.729 3284881.223 202638789.6 197096971.2 198743520.3 156032141.6 215303151.2 198066962.3 2278380.102 1941193.855 171930600.5 141816801.7 262093077.2 255251744.9 302856303.4 285608524.4 490821.1623 175063.6446 232798.7923 134525.9756 156136.8434 185103.1171 178979.7322 297723.0494 173929452.2 194331422.8 125717560.6 130482301.5 123176543.3 129305422.2 122513132.8 239539249.9
Gabapentin 70219833.92 73170714.74 57510998.37 58893941.58 78315892.44 73008846.75 61355581 59059939.44 49480576.89 50176155.61 58877600.12 75139489.53 72588655.38 81636587.24 79461572.57 92475712.26 61248366.91 63243447.09 55826179.62 61055436.34 101047946.5 104069474.6 92674422.86 100750012 80133935.03 93052374.81 78027821.16 86258008.54 59336181.7 64785636.48 82626887.25 91054517.42 93867035.2 98905757.36 79963686.03 84412334.07 60503482.61 58128420.18 58863329.32 66240027.75 71285553.41 77647790.79 86965465.92 78404506.41 76713434.8 71862039.62 70988692.01 71843753.8 56815289.82 57795039.14 73062882.22 76441453.56 75994766.32 74387747.52 48843467.05 59044372.08 56681767.39 61330943.92 323062499 90934194.51 84141123.47 88158801.8 75928671.42 82895389.24 78762559.42 78720893.37 77302559.2 72495788.61 66066956.8 74092620 92879093.94 92323714.69 128161307.7 145661069.8 70220242.92 70189797.43 66244313.01 71729190.9 71051245.83 75574911.23 88791351.21 89336182.21 89539341.48 78366114.99 73951718.8 81094359.52 70754693.11 123682039.1 100045602.1 93740358.93 76626027.03 70947927.45 71783850.84 75812838.65 73295624.79 105391834
Citric acid 61159493.16 48623012.95 102913505.9 96812602.43 45899759.88 47161635.05 192087065.6 165048000.6 146661395.3 131662403.3 41793337.47 37615804.8 48487659.66 48334504.29 128557497.9 107389353.3 124076783.6 123667124.3 105644790.6 113921307.9 81489805.32 68273369.92 88400699.23 92305114.55 49758241.43 53875764.06 134591145.6 112619534.2 109516422.6 101487391.6 92941752.53 84804695.18 59874962.59 51120410.35 109014814.4 74295280.88 31757617.05 34592510.21 34418102.67 33633311.21 163702569.8 164047451.4 98836792 92146806.61 138616696.2 146202811.3 179208378 173975183 117058077 111260926.9 144626099.3 122395599.9 53633915.66 47381854.17 63211791.51 53144581.75 84587838.49 69251849.57 238826535.6 280432223.9 204232132.6 193740136.9 311009014.5 264422255.1 235789420.2 243650016.9 194102949.2 180782844 143002258.6 115724678 137322742.4 139112518.4 179802849.3 152763538.6 46111896.95 70914503.21 106304402 103066117.3 136948745.6 122564425.3 539890.774 265141.6852 146979.7322 153723.676 154848.9174 236530.6754 264682.0861 380923.5357 81324054.44 92270542.05 74099819.33 66281540.01 61673093.34 59096861.38 60009350.84 124277603.2
2'-Deoxycytidine 2875251.547 615212.5233 2968394.066 994382.1299 1035234.909 1005682.557 1855836.564 1910135.394 1547945.174 1308610.624 288797.3177 267988.4226 383309.0037 401441.9948 474848.8846 438405.2727 653312.1711 665595.0989 656006.8939 648948.606 225171.6605 202512.1172 350372.8899 376920.1758 253762.104 247801.4662 1344613.677 1431851.236 122472257.8 13702782.77 366406.2987 355637.2707 427111.3156 416084.2043 601041.7642 562212.6857 17361633.26 8746668.803 1596344.403 1438787.75 338688.6789 329226.3834 611194.4397 566677.6859 574573.9327 618645.9804 731332.0722 661429.3749 332301109.4 320250434.1 515040.544 457511.1365 935853.91 1016775.318 5616898.658 7856043.623 1343429.085 1209817.676 1294288.895 1050307.072 367903.5002 339749.0099 363655.5429 321650.4791 499911.3131 491671.9632 391432.6673 371903.0985 3090252.379 3372537.468 376754.2509 381014.5301 313309.1219 299719.6297 494118.1587 553957.5814 754566.8201 752645.8352 2537000.623 3129942.305 192438.7702 91005.67679 72432.82383 120012.1425 180449.4253 407379.9612 1196864.235 279595.5576 228512179.4 247352409.7 272941473.6 299151400.9 148736802 7523758.765 2952392.52 824898.8762
L(-)-Pipecolinic acid 18408558.69 20556175.13 15461647.05 15544723.26 23257999.87 19039978.1 34338272.79 49108371.67 55434156.95 54953783.56 396005987.2 114043357 30577484.86 32408040.8 54034673.41 8182044.632 39266854.01 52483102.26 88814322.52 109355712 133116339 105049280.8 52813391.06 9129451.818 122050111.3 119120123.5 20230293.07 4704617.86 28200891.48 49123542.66 38646082.06 7332279.988 100313807.3 153904284.7 100682537.4 44711224 76795295.97 60421222.25 129072488.6 103921704.6 25563993.84 30050172.17 42433769.49 39031081.72 68765813.53 85192192.42 91130882.67 55205963.79 22116309.65 20539878.3 82587835.22 74736451.04 21342002.91 20017975.29 10028258.15 21281087.18 95852043.43 102913650.3 95867808.4 119404308.5 96258961.77 162693718.4 38676175.6 23506808.12 54857712.48 33460645.95 57889123.17 78932593.08 84682627.37 95782111.36 14012422.87 118786766.2 172759417.2 132819920.2 139512317.4 136923329.5 147820418.2 67009227.35 101547252 50587364.82 838338.8863 427212.8669 258512.099 701611.4157 187107.222 624404.6164 820195.0446 1186174.056 46991871.98 43415310.12 58271940.99 34507166.12 25863829.16 60946917.56 5594452.181 42592557.88
Nicotinamide 25114039.48 24944765.43 32357872.39 30606433.19 55662266.41 51928912.96 72069460.71 33177131.05 49659866.89 32857965.22 36969549.42 26369037.41 348881899.3 51519530.01 64487704.68 57455302.65 37538568.35 37700957.41 49037248.76 47660120.43 22587191.16 21927363.55 35195885.98 34282883.26 38724406.42 36820943.38 24886430.71 24465144.11 43637657.64 41252128.72 64898339.18 55980831.93 188617675.7 46814067.65 32800628.1 29659316.22 54625576.48 68437178.48 22954393.82 22453493.43 28173456.6 28471976.99 60078908.55 59049670.59 34473332.69 35070288.46 80013466.69 33192576.16 39684843.14 44180210.06 73489183.51 65494629.19 30980014.16 28322030.11 34050581.05 33006107.05 30826639.82 29538109.76 69518297.17 63658996.4 31917846.73 33117001.69 71927410.06 60547578.31 43777594.31 43696731.27 54233086.15 49292207.77 37416913.74 34694208.22 71476392.55 65261794.91 47623046.52 43772820.9 135444120 36660499.23 41367781.48 39574644.16 72532781.01 60589710.94 99117.55829 4065591.496 1900685.324 1530776.673 931260.521 920249.0837 1645119.437 1728276.882 43412853.05 40437405.67 46281794.54 38769839.94 39574498.08 36286131.18 35087150.24 50781194.73
Dibutyl phthalate 14577205.11 14384388.13 24644161.15 24664926.93 10068991.75 10735866.12 41362729.47 34636030.39 6409480.465 5649092.95 236758336 151817094.1 68691413.1 76082794.37 45265476.2 40373671.89 116519323.2 121108680.6 42238030.89 43482999.08 34915829.1 25458603.39 48653575.56 49865849.59 8236521.379 9241120.889 6534930.796 6434553.495 29043435.4 26351833.36 95076350.39 95470164.51 60882091.99 58085115.93 63077538.38 57935873.79 71934730.71 89767214.78 311829184.7 319052498.1 28124133.37 29301401.56 7213394.98 7187185.365 40454015.72 37590247.65 5094191.882 5112754.499 15213875.8 14655543.39 47150577.25 41154897.38 42859572.29 40733767.86 65224331.85 59455402.88 86855287.09 77166995.09 62535159.45 50152449.44 15031910.78 13992422.19 6487844.644 5067580.54 29534547.68 30646190.27 8236855.49 8773672.552 9909357.34 9180864.825 21910846.48 20823767.9 105047580 101884135.2 69104756.99 66456578.1 24036113.7 21599636.39 52666205.94 43218935.76 2008134.557 978843.0279 616866.5619 678973.0505 596059.9212 620054.7967 719741.6814 1692909.856 63344200.85 47344499.44 40553047.98 35528157.68 33022001.29 35967350.8 34492414.53 90638009.96
N-Nonanoylglycine 6432740.31 6074220.571 8141332.139 7774768.895 213812451.7 218908634.8 5003202.541 3602630.384 5753643.3 4417548.598 6042379.008 3743171.401 290939184 297981386.4 76033268.24 73072492.4 2411882.618 2388509.406 5428437.445 5335328.497 12951997.28 13194290.39 12871997.21 14381549.28 5328401.435 5993721.945 135565823 131967154.3 6080937.016 5045192.868 6871846.511 5789873.825 31310747.9 29021664.36 3619514.446 3587283.302 109794799.9 145206408.9 2866808.47 3114341.162 5065954.717 5210153.662 191556056.7 194210916.3 2076438.5 2105906.664 5016194.456 3671236.744 3165097.799 3339342.257 3722963.874 3416642.188 150731642.4 135541834.9 5263523.512 5123749.491 4691797.7 4442507.965 28047189.96 8960514.672 14926898.56 15040237.99 271483256.7 203636913.6 4904662.755 5035879.837 5255309.906 4896451.883 21581155.29 17390363.17 121321592.1 109668236.7 80658268.09 74341952.54 8138781.913 6163386.826 26797406.73 26009705.04 83806119.71 76240082.71 967237.2425 1142694.268 1136369.166 1185987.158 1065839.667 1189141.913 1234002.679 2466836.191 48104987.29 48893436.96 45073300.33 43949817.61 38970233.95 36224745.89 34646501.39 62628276.26
NP-011548 7571030.355 7698444.105 9739045.906 11297730.04 308853402.6 331649567 6001439.452 5804877.29 4766245.698 4731903.387 4362242.035 3995434.376 230912067.1 178253424.4 105562768 80680436.88 6114821.337 5737156.649 5210021.709 5299133.318 10544036.74 8608389.606 10189975.74 11635200.5 6368355.959 7736205.879 157924594.8 145813680.4 8490012.455 8308202.454 8890041.691 8262084.18 7825101.883 7858761.651 6371664.874 6030389.206 50164389.69 74030031.1 5801968.987 5934162.489 7198494.599 8161554.187 178898350.9 164939909.2 5581493.659 5531548.466 5524921.318 5182531.928 4762395.541 5092687.459 6605206.743 8716830.598 163750451.1 137204780.8 4349210.54 4977120.864 6974332.556 6619180.929 136835537.3 13102470.13 5005572.777 5855673.536 244706158.1 162133905.7 6139854.548 6755032.035 5871223.472 6467627.535 22015962.34 19574082.8 119052411.8 96712526.32 6917710.251 6351863.608 10287007.97 9708061.786 20243567.51 18236835.98 123768109.2 98657848.04 2194202.265 6150086.714 6777242.889 6060132.165 5916941.28 6049848.35 5666327.84 12938081.71 57173180.69 56050641.29 49235800.97 49211338.39 40207475.3 38561627.37 35120592.76 84799918.44
2,4,9a-Trimethoxy-3,4a,5-trimethyl-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-6-ol 10016945.52 10560664.75 73878138.05 72942790.03 51826186.69 51009493.81 5193747.78 4290820.123 50228669.81 42706779.05 258890378.5 143605859.7 78815476.93 79888661.69 16582213.61 15172282.04 14391552 13904614.32 41575388.25 41060692.68 27761092 21881845.2 8043338.28 7713275.89 27622467.75 28226864.19 62519619.24 63127060.73 108812531.9 87319025.21 20221595.7 16887677.79 7898695.004 7947430.186 38573014 33735968.44 36380835.23 47955842.06 293797723 296763018.6 63453803.64 62554526.68 92447108.98 78382578.18 8214254.944 7409735.864 65745683.85 56957252.59 55775231.92 55198618.8 73896117.4 57076478.91 52855471.19 53499243.03 8269767.341 6923633.797 171742841.6 140088586.7 28277640.47 33394937.28 217918285.1 204806909.3 56906324.97 41919560.85 6451541.422 6225658.581 107590767.1 98521355.41 19215484.53 15427679.78 18654156.6 17748677.89 20588720.85 18677356.35 154743972.1 148757755.7 57204025.6 53639954.55 73280973.91 87223675.08 437046.4603 541641.9645 388524.4768 410381.2852 281369.5074 205509.3402 307772.9146 852319.6958 69790419.5 65128738.33 57397311.06 47973745.05 48643016.7 42405817.66 46830431.39 95124678.25
D-(+)-Pyroglutamic Acid 125995502.1 122650981 137374339.1 81186634.4 141102823.1 121003366.2 101194062.5 128318947.6 50266816.89 63399636.28 236988216.4 234120993 133998693.6 131487762.3 180548464.9 96203046.31 202618678.2 66226008.1 157320436.9 78041904.71 48275486.01 39900476.72 75332096.01 128237116.8 69479093.81 70339246.38 119609189 115594543.1 146579557.5 91591822.39 90856260.19 122919516 113102785.2 140822848.2 86931066.39 131702058.9 124664470 145283046.7 64063601.93 58845717.54 105424736.4 69728725.12 127481161.3 145257763.5 70636858.62 134498728.5 121098253.9 72868086.45 106614771.8 145701881.1 138652471.8 135145983.8 68037774.61 133221739.4 130420065.2 120336233.3 149375135.9 104107326.2 161104884.8 157524369 103634828.9 171259835.1 85861838.76 115031984.9 96319997.76 92787363.43 120858320.6 111777225.6 100596842.6 210245532.9 89595585.13 81986723.09 134973577 120261862.7 131802852 82176794.11 234145142.1 224196073.6 170716075.6 164549576.2 1380668.569 2808976.693 2718627.236 2301944.332 2229887.426 2368036.877 2503936.913 5340607.544 113175966.9 49074019.64 11984197.06 120955051.9 60603030.14 85283680.25 70103392.97 111469486
Hippuric acid 24539334.07 24556389.65 16526133.56 16513536.26 18083758.99 17976236.55 9014171.44 7263270.847 2154218.988 5462528.399 2519929.941 1614536.509 2487898.359 2279696.839 2141079.093 1803316.142 1971837.206 1918668.584 2187887.204 1935541.569 22309313.21 18627172.17 286196554 280628241.8 16648327.5 15973272.77 140793943.9 143325539 9145895.053 7923600.567 2858614.191 2836871.726 38108801.11 39176000.77 40343402.04 38993660.36 1890986.78 2386467.024 1653093.197 1685115.952 23851511.17 25752144.86 29598873.16 32156200.69 45288865.4 51447976.64 12022477.15 11438955.37 17221311.85 16999105.85 2294901.502 1918076.984 3625407.114 3287352.627 2613576.237 2314265.947 1632107.246 1429170.955 4537752.907 5302594.583 148227337.3 144504738.6 48269255.84 37316990.38 36338825.73 36675521 25948447.36 21742442.1 36370076.45 29896734.41 4154559.211 3372810.502 3152661.223 2552976.952 2120475.671 2000685.771 4262039.37 4284925.875 2512210.526 2082706.242 225851.6282 122015.5303 55815.13718 54431.25262 116352.487 101943.226 59339.44184 179644.6525 24534618.32 25301422.98 24060154.33 24368421.5 20750074.85 20340569.23 19724639.35 30510675.03
7-hydroxy-1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid 25740693.24 25882516.05 5075282.019 5095386.617 3478362.393 3738033.357 11098769.19 9320024.817 2446678.54 2073901.844 40635942.68 21211393.66 6313997.391 6464034.986 12517969.25 11331813.69 13586407.86 13538002.34 4364504.207 4129094.77 29578165.94 24144963.18 9298643.232 9446144.283 2831951.017 2955817.986 2482498.619 2523687.427 501266.7127 412856.438 1660683.475 1511296.471 10474566.37 10387361.2 276928807.5 269491064.6 3398388.841 4277184.041 28619506.78 30277773.35 42345415.29 41625882.41 9245332.066 9318082.509 10702626.71 10841996.27 1072175.671 1132752.592 5026565.995 5152342.953 1770196.89 1468486.426 8088512.062 7378827.067 10348940.96 8757183.125 50684907.57 42745879.42 20128038.29 19691000.43 65393259.36 64472684.58 49188225.1 35692914.48 11251000.4 11258959.53 6359444.325 5716586.228 21089203.41 17661519.26 13674136.52 11569781.19 18847689.07 15603550.68 25864848.39 24781199.68 64588210.77 62442015.78 36205812.68 28981620.7 148815.416 72647.14953 62619.86748 68919.54811 78161.00887 73470.14408 113721.8175 165413.0168 30858635.82 27513953.87 23943332.97 22006785.77 20183982.01 19066565.91 18676809.76 43120845
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid 25698822.75 25841018.65 5033733.626 5045625.96 3421772.371 3675714.271 11055277.85 9209673.753 2394280.821 2023380.251 40532988.8 21120369.66 6268009.842 6421495.355 12466019.94 11288293.64 13542012.46 13380279.53 4278210.109 4059970.58 29484623.29 24065322.08 9227555.8 9368727.165 2795322.173 2923891.392 2433718.657 2475669.135 440617.3066 340855.7265 1626691.663 1443571.978 10399899.61 10291302.89 269242105.6 263304875.9 3334720.163 4230434.658 28569469.3 30224398.04 42312501.98 41484937.11 9204470.189 9277467.161 10593642.4 10726422.24 1020647.231 1028611.271 4982626.521 5110803.935 1705113.681 1429684.093 7894119.987 7220695.731 10225089.89 8680262.193 50543676.33 42615667.24 19649062.89 19497481.01 65363638.03 64231631.01 49046585.65 35578778 11178664.21 11222627.24 6319930.16 5676153.271 21001749.69 17576539.44 13575947.15 11468445.68 18730101.33 15511477.95 25729647.83 24678083.08 64345120.26 62179650.04 36091129.83 28894388.05 98633.58051 40356.71265 29468.58115 32432.0666 36779.47364 34570.60778 64448.02387 77823.58891 30726992.77 27358749.46 23767133.44 21934586.85 20090839.2 18985015.67 18598727.98 42873462.27
DL-Serine 7842539.794 21552095.39 51078226.47 36260236.14 14487908.25 24994374.58 2651136.525 6621246.179 69913219.53 40706945.11 12111760.74 6058876.228 26584483.23 27672793.97 83397462.44 7112179.689 16576170.89 18710855.19 6774507.227 281364557 17290649.45 6691687.501 17534456.19 122180533.3 104231284.2 22998231.07 23320591.12 21135278.45 12024879.56 12604518.87 10142078.73 177347761.1 17507306.74 11728279.74 19343380.51 12293231.26 86743468.9 201673574.4 21719628.41 138283361.2 8450164.162 11932436.73 139574694.5 70999940.81 10674091 6812198.67 30383087.81 7286778.711 4124626.095 13162202.83 5545534.093 29119516.01 25713077.25 25851247.98 104382125.7 20038563.46 37934561.26 117201655.6 189320166.9 276067671.8 14849051.31 119100359.6 193513576.7 37757345.48 10535671.95 176493496.7 38365486.2 10406621.83 11235501.57 38912505.49 234172884.1 176818430 29576414.25 154657856.7 8696211.373 38175224 8297258.242 11626242.64 163862009.5 176852182.5 975929.9398 401563.6056 170467.1976 490121.3996 657280.625 192127.7129 135578.307 1292649.286 19394898.84 149530455 11639105.88 6940343.207 28207715.23 30242345.98 92523956.15 176535839.6
6-Hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one 13938602.04 14411321.36 13303617.25 12629695.32 13349876.59 13006679.87 13471764.21 13634072.02 13497946.02 13070318.52 19706618.34 21711006.17 18990882.37 18889207.77 16326556.39 15950107.37 13124978.79 13787754.59 13540072.16 13403371.82 21169429.9 20318664.31 18719093.55 17196261.8 16918267.11 17602565.23 14265871.23 13552409.2 12241664.66 13326141.31 21832158.57 20971463.46 17782523.69 17155123.53 15837179.54 14416368.28 13934696 14592630.01 14174268.86 14580939.12 17120378.12 17667374.17 16241343.63 15869545.06 13877433.23 13602949.93 14664312.24 13124328.63 13455459.4 12906975.66 15033935.57 15707829.22 13005914.32 12213042.24 12648751.5 12769915.37 13802808.45 14051361.23 334957967.8 29115086.54 18881284.79 22598152.06 17308387.03 17170049.14 15074513.11 16196060.93 15178289.4 16386952.73 12931366.92 13114803.79 21478024.99 20740665.97 20529580.88 19714672.96 14262860.61 13968582.87 13140455.89 14448277.34 12657191.61 12787161.96 23820139.97 20711849.75 16743019.21 14861782.81 13159861.49 13185287.39 13512711.27 30995999.55 22599676.49 18516617.13 15400184.17 12682157.74 13112318.7 13754991.19 12454175.17 29575479.22
PEG n8 102025307.1 94862602.18 70776787.92 70059811.42 53480183.05 54265818.48 96010536.23 74601915.23 70889494.98 54263968.29 235656565.2 114719710.2 151021560 153910495.1 192862917.1 172261039.1 155444883.3 154049435.7 149408124.7 154777008.3 135634118.3 97799888.79 149305154.7 151215352.8 80885105.62 81840079.57 81292957.46 81289248.37 85875127.91 66691129.85 192637167.7 172694406 153799133.8 162127955.2 136184743.6 123784200.6 38364488.44 51985460.99 79348328.38 79056530.45 147080366.9 144676810.6 150697362.9 150198848.7 125493536.5 135783983 108023388.4 100055563.3 76105126.88 75928230.28 271049743.1 209608501.4 81525221.07 71387904.57 92164422.41 79078695.68 101702226.4 84888854.43 271206742.6 268664949.6 183091270.2 165388569.5 198179392.4 142857391 218228366.6 204495904.6 111269005.4 87595331.91 84338289.57 69804121.15 251428556.9 201428722.2 264153838.7 222487402.1 126794964.8 119072578.1 257831411.5 268804102.3 89911445.6 74280728.73 637820.8679 809315.0542 757567.5377 703720.8722 622385.9998 563675.5469 478080.6061 1081928.26 143384647.8 125626335.5 104076495 202073983.4 159849709.3 134945464.6 122899402.2 137909510.3
Ethyl 3-methyl-3-(p-tolyl)glycidate 13457623.02 14064080.26 12704870.39 12881450.65 12112106 12060431.2 11740057.14 13981340.8 12514275.26 12900993 18785279.06 20023657.85 14995070.59 14648225.58 14617185.58 14868071.93 13525469.3 13721643.93 13134081.5 13029921.24 17936982.59 18718049.96 16283889.88 16366799.12 15806242.27 16978130.4 11754685.94 12480450.96 13487954.52 12911882.97 18487553.04 18977081.55 15825020.26 15804972.68 14363811.99 14427855.56 12799211.22 12127359.45 12577945.79 13117207.11 16039535.24 16730888.54 13705869.72 13726586.74 13030559.5 12583120.83 12699721.91 13176701.4 13644911.67 12653652.77 14343703.18 14309023.78 11844757.8 11663497.38 12742056.34 12618797.27 13011492.61 12882187.33 315391403.1 26869221.15 16714185.34 18398969.77 14431415 14689042.78 14633328.87 15498994.48 14563557.12 14432090.87 12701074.77 11341365.05 17752619.64 15829741.43 18216271.58 18077149.91 13172624.5 13648851.13 12717234.53 12674376.43 11999069.35 12440199.53 23117452.1 19829294.1 17347576.59 14966320.12 14688824.48 13953658.92 13762576.88 28378070.49 18897708.23 16750978.78 15141666.29 13334582.21 12328495.37 11604956.78 12152309.69 25062362.88
octadec-9-ynoic acid 16371482.92 14668145.42 14976067.95 16921734.03 239595577.9 299218710.7 4651598.77 4200046.081 738471.2485 836573.3681 11676481.31 6706852.019 115095835.5 93852661.77 205253354.6 137322754.8 2648859.261 3113092.716 785138.4518 935811.257 24666871.05 16379014.87 32589487.81 24608675.73 603619.1079 1918789.738 130464123.3 118059560.5 36009829.49 34300400.68 21431804.34 18441494.47 17073861.9 13844290.16 1457163.354 1553037.335 72492389.13 99426118.81 9258627.19 8024801.98 8451842.36 8111069.908 74100819.51 77476914.06 1056514.269 1223767.035 619082.5081 773288.0467 325473.3695 511771.1081 818385.223 1652155.454 100001579.3 74678905.54 810629.5607 2403335.178 26972034.67 21560423.03 8078164.234 2452667.214 580366.8283 1068458.614 105220422.7 100615753 1119354.6 1591970.737 553076.3409 677202.4836 98698172.91 97151971.05 108759835.8 88438309.48 16280674.94 14180473.28 20021708.18 14098620.23 19195274.67 20108901.1 278783015.3 220785384.8 123788.3915 207254.6822 298838.7869 295735.9194 332371.9251 695943.254 627982.4422 883593.9669 53975599.5 43244059.43 40179050.64 33765955.9 32771524.59 27206733.64 31984484.72 84477080.86
N-Undecanoylglycine 18218371.24 18950481.88 20400015.2 19666649.01 36998482.2 36732519.46 32010778.23 24038980.02 14295270.68 11947046.13 29122531.14 18279079.3 65338084.37 53203616.69 27840069.32 24510149.56 11264480.23 11710763.14 22247818.22 20901827.69 48487323.86 49606220.88 35590059.12 34252011.05 28045377.78 28278857.56 37051470.28 36021177.36 34485160.99 27662825.15 30889266.52 28651526.22 52367135.23 42114725.71 35560315.14 35655581.77 27774657.32 33828969.67 17381674.08 18148525.66 19618888.53 19539509.97 39439526.37 40250047.21 10970196.95 12351599.41 21737051.74 15143038.61 22068759.32 20593728.36 20116609.02 17051431.6 41425693.6 37336781.5 37218621.19 33221610.2 21209719.33 19706678.5 91625605.94 46844677.79 244255241.6 232410205.2 104091042.4 77734000.88 73661223.29 72246523.92 20585688.08 20359008.37 206491047 172380923 61466697.31 53010285.42 44675209.07 39895087.33 47927910.13 41769737.63 41675981.24 39804046.22 86270076.24 65669658.92 4095283.558 4400910.74 4333218.18 4329910.918 3692003.476 3600937.725 3808099.592 7457158.616 42981520.87 42056564.45 40230972.3 38551554.7 33238869.76 31367531.75 29709205.7 56827254.47
Linoleamide 16133814.6 14745519.19 14682548.48 16620149.19 233761471.1 293222770.4 4429758.759 4066581.487 577773.6449 692993.742 11417229.26 6550471.298 113363608.5 92469387.75 201035683.7 134473901.2 2440218.952 2821549.2 608871.4213 767955.2983 24126899.73 16040607.64 31947523.89 24153896.23 478278.7216 1826410.871 128320997.8 116369885.5 35012494.64 33619444.16 21025013.77 18033560.5 16811963.42 13643007.01 1177438.559 1316462.561 71311762.2 97901174.65 9131740.558 7911250.526 8246499.456 7936586.017 72811536.22 76124138.56 892015.9719 1023736.353 447956.9738 622454.8186 188059.1307 365402.3196 607903.7481 1465189.143 98534058.59 73317375.52 623921.201 2278342.527 26536032.56 21168045.33 7572931.063 2273105.797 293912.7864 788907.9054 101734163.3 98945176.41 950290.2599 1390814.499 430680.8112 546155.1714 96777119.97 95606654 107049963.9 87000419.75 16076787.91 13940886 19655674.66 13787197.42 18889400.8 19780377.01 274280598.7 216603206.6 94248.78475 179946.4543 255256.4875 255990.9462 287071.5659 654461.8044 645969.465 1017512.213 53233850.86 42582233.53 39389774.61 33096575.46 32326693.62 26602250.31 31389193.22 83655240.55
Bemegride 3339701.448 3101763.153 3525533.814 3237356.091 201670628.2 202250589.9 695856.4682 959338.3475 4443325.653 3253184.191 3343522.431 2164317.899 235460238.3 248451532.4 78561107.07 71055641.19 741803.0236 1153746.422 2711706.196 2885210.011 5875827.172 5292729.293 3727348.119 3641068.79 2457986.036 2604260.584 112839472.6 117723811.6 2696030.029 2456170.499 2807119.391 2669930.207 2863177.785 2337207.194 1212125.098 1351564.309 85273870.04 101677770.3 1140191.829 1096457.143 1569225.77 1619877.408 127060625.9 121942405.4 483985.247 935629.6976 2178324.5 1735072.497 1302830.734 1743728.924 1749822.415 1119988.02 108551665.2 101064331.6 2427546.042 1326833.765 1582037.746 1410958.621 2354190.395 1830386.174 1152915.591 1188363.313 246693962.3 191261627.4 727391.105 786208.9791 4023272.069 3333024.206 12920056.73 11609247.57 73357835.91 64773886.6 10240224.41 8795394.604 3153899.105 2763401.979 36814712.2 34703742.31 98172435.88 91378564.65 794356.0158 301584.4684 282006.6013 253519.2574 151833.7336 164363.7733 212818.0447 288686.3129 37863173.1 37963029.52 35070955.35 35538063.7 34756988.55 31028813.58 31571847.24 43135734.89
1-arachidonoyl-sn-glycero-3-phosphoethanolamine 58120757.92 51520414.48 32214272.71 30748561.32 42036081.53 45137681.76 74233210.23 64542131.34 39743561.4 31336435.12 71444328.07 38948682 89825761.27 78067187.55 57368830.56 45629954.1 83959377.55 73570976.51 40118477.02 36463122.15 90069361.8 68413374.59 152160175.6 124685621.4 68216082.8 49472972.74 43945496.63 37011699.06 30416470.88 25903703.39 44043720.36 41613507.06 133076690.3 124941715.5 81016747.26 77196011.03 36695527.27 46335115.07 53981405.14 50634382.82 71764857.7 51377545.49 69084600.7 76437646.87 78701942.87 87764936.1 50883567.67 47519570.39 33603119.61 31453550.29 63828530.51 53220473.98 70228391.69 61657204.52 63354509.66 58885769.86 50028929.21 45382406.12 127240584.5 116537205.4 179785208.1 167791803.3 86243327.13 66830850.52 75901146.33 74280332.5 35847975.68 29708812.65 92860869.91 72702297.8 53480978.29 42872548.03 94770502.85 64560495.61 59123167.51 56517176.09 56115641.75 52774263.72 82151796.33 63953486.64 53538.09946 165036.4368 197282.8554 117066.5557 109246.4298 91870.99129 92660.75249 420991.7592 94557541.55 83672006.15 69695598.39 62058896.89 58394138.04 56516278.34 55292372.5 143944401.2
2-Acetyl-3,5-dimethylfuran 3131296.832 2994454.4 3229238.106 2992722.121 194818218.2 195735637.6 566087.6015 799127.77 4093932.324 3013705.9 2958978.333 1924757.594 201071831.9 211055646.9 76115764.37 68622807.64 561666.7078 886358.9605 2478733.958 2590281.099 5625588.881 4950334.499 3393841.635 3297917.952 2251093.024 2416089.31 109217958 113890098.7 2480029.175 2292059.89 2565138.611 2433844.911 2540301.147 2095426.494 980310.9592 1108910.076 81848201.97 97589259.66 968094.599 891596.9165 1174992.302 1199703.543 122952642.9 117693976.8 357135.4847 766022.0143 1874407.388 1552255.582 1439516.401 1446890.95 1465117.21 963682.166 105147355.6 97771913.46 1213682.157 1110407.11 1384977.909 1256274.686 1790349.524 1500577.131 576541.1625 947393.221 238821222 185252532.6 564092.0011 601468.5743 3733396.784 3110939.813 12417210.9 11021366.41 71039962.28 62762259.63 9703663.926 8355798.383 2923039.13 2579695.762 35646962.42 33418291.8 84059569.54 88184119.39 154629.6984 278960.5915 206702.116 199881.8379 122855.7625 146729.3201 181648.7603 192110.0002 36670665.74 36720273.59 33854479.43 34447053.15 33606318.44 30071667.46 30561667.03 41723605.02
3,5-di-tert-Butyl-4-hydroxybenzaldehyde 25915114.27 25401289.63 22482219.04 22597001.9 23175024.33 25856227.38 22042085.03 20987177.18 21099067.99 17963281.06 42402791.87 37955186.72 27948610.36 30146337.46 31804564.11 27651719.61 26487743.57 25534772.69 20355701.29 22251952.22 44776454.53 38575154.41 26969712.01 27082982.68 30758848.44 29578726.91 23069547.9 22760240.2 22797021.56 21638461.7 39637328.86 38810372.97 29070946.39 27456162.65 25894337.48 24456413.2 21705870.2 25659330.13 26201053.33 24938168.02 29444996.94 27701253.75 24831830.28 24456421.94 22955850.65 21563124.59 19317745.99 20001781.4 23901573.08 21893640.69 25865863.57 23816391.95 20291805.45 19526647.46 25290097.4 23425385.56 19189620.64 18612355.07 250763975.7 43248891.87 22317266.82 24006669.31 27446988.79 25498750.79 28005269.56 28112840.86 30199350.32 28419778.69 23420544.63 21265172.92 41279635.53 42000305.66 36912374.16 39596789.31 26604119.36 26156765.15 20222879.18 20712384.09 22242478.26 18209080.11 31901365.8 20318045.94 16117004.43 13864151.44 12771544.84 12516750.2 12097870.61 24147057.25 28763111.61 24717290.79 21942486.34 18963564.96 18246218.28 17235713.5 18207513.45 36907641.67
DL-Glutamine 3227467.568 54247065.03 3420195.42 31057121.78 62182106.91 5863690.701 5550529.523 41380004.09 2647658.169 4333675.078 11080427.21 2872532.136 372325.5296 39766834.23 86088287.02 468150.5059 2096092.219 76534758.93 69240543.31 6610532.186 56920907.92 4175299.377 2591802.283 389564.2696 76805049.72 15481314.14 50632818.64 6381181.189 43510607 4634224.094 8879158.819 62856608.81 3419262.041 7688452.083 5826641.333 96247447.33 8390783.367 4794057.64 92362798.59 2605871.928 2570686.65 4421476.831 2137259.241 1624469.673 7491279.216 36533220.74 43448780.28 57633292.16 50737710.4 6062825.961 21620509.61 3925513.806 46191415.33 35772769.36 6156804.334 3460548.449 57558667.37 6791138.02 12552813.96 250125065.9 6349811.86 60011860.14 144894099 47723549.05 5106776.179 78464777.78 34736838.58 2565108.162 2008383.111 2587394.439 41242378.17 107981613.8 1324397.87 89400297.99 3818836.31 66097953.98 8925192.675 5138701.742 7232058.666 161609669.7 261936.0466 256067.7491 156065.9945 171025.5855 121826.7361 203297.5918 134023.7059 1071631.503 108196009.2 3865395.293 8789896.59 3075108.735 62036095.95 63033254.39 62792809.89 152226289.2
Cuminaldehyde 9800515.977 10430830.93 7267986.293 9208946.843 9435908.561 9848865.39 10291585.97 11584599.83 10438257.07 7541350.371 11957484.61 12163584.15 10917656.1 11819230.7 11843333 9003169.77 10569793.04 11281868.08 10640325.01 10107016.47 10074742.85 13315406.99 11831808.93 8489756.317 10809336.03 11369593.85 9715312.127 7561305.688 10805352.77 9693050.117 12060145.15 11606372.41 12106627.51 11923796.65 10959745.11 11584699.07 10586414.85 11505593.71 9724551.707 10251377.55 12411745.55 13552837.11 9928138.649 12016302.47 9395145.495 9904605.551 9786081.76 10417972.7 10399780.63 9088647.6 12526847.74 11206335.39 11057966 8383324.31 9744493 10571831.84 11322717.67 6151581.529 232313117.6 20053296.85 12061424.08 12505224.59 10297367.74 11178142.81 11588775.86 6768007.148 13086661.4 5483832.573 9573639.19 11055296.34 11730737.67 13046611.2 12249101.23 10798816.5 12893705.15 8124741.832 10842965.57 10816875.35 9043712.61 10480810.37 11865802.34 6174746.124 8395496.649 12037427.35 11829343.16 12789600.45 9998913.956 16841818.26 11783177.92 11333026.52 11609022.14 11724496.86 12079092.45 5781583.211 7331837.874 17118059.04
L-Glutamic acid 75634539.35 52583714.38 68479959.18 66361605.06 76265163.37 97901846.77 78837373.3 78931099.91 81194734.89 56081934.37 109291864 111256769.1 110853448.9 96922642.55 84571196.62 96269338.16 84384571.37 83207117.97 93106901.77 106314333.5 71607888.31 56391822.14 89624034.58 88386184.41 104314061.7 127059047.4 74375244.98 76928102.76 85745042.6 59806868.5 90326039.31 106183526.5 51641298.81 59119308.2 114645015.4 63480278.48 90693662.61 95670554.32 71372172.25 72989120.78 86844772.32 86247026.6 95577152.33 112535012.3 72027799.18 87231668.55 57692363.18 89012091.3 70118928.42 82505977.53 131053227.4 131736105.6 69093667.59 72967248.48 80680621.8 64010368.82 117766089.4 84310300.71 143743531.8 120656975.5 158127090.6 172338974.6 129516863.5 122447702.6 102415497.8 93350398.4 81821769.52 60359739.04 110737776.2 95143332.99 88747875.4 93335880.17 145460890.2 87438749.63 101400436.4 81148693.58 205424834.3 203995641.3 106753778.5 91883665.2 453469.6018 278785.3038 297819.8863 96448.06969 300737.0366 490665.7924 3626105.007 5258436.865 78792893.34 86714174.05 82977376.47 50793724.71 80233991.44 79693966.65 64036484.64 94750062.89
4,9-dimethyldodeca-2,4,6,8,10-pentaenedial 7167798.121 9165961.186 9151208.401 9856729.416 7783434.473 6172316.582 8759843.647 7626500.949 8327031.363 8510499.363 12397014.29 17168220.79 10162155.69 9517180.67 13281809.07 14217803.51 7702371.048 9802045.884 9170224.311 5972145.827 16149141.71 24257962.3 12619584.32 10705931.81 12273090.29 13676810.16 12439817.48 8254311.832 7825004.374 8252783.288 4121111.641 11789651.76 11558845.86 9496629.153 10012920.79 10185801.69 6557327.353 7356539.213 7269210.281 9133148.067 9218911.529 3066306.299 12505567.5 13527146.74 8054134.279 9856576.751 8595598.844 9111845.451 8724228.167 7227752.968 15664918.66 11986137.54 8983370.092 8535984.41 7011057.509 9775238.378 8771294.667 9629259.658 210800890.4 16123485.56 13201382.86 15870215.65 11822972.07 9827286.962 10996966.96 12608890.62 10877095.76 7307836.877 10262827.28 9840937.965 10551178.31 13579433.46 16735805.14 14726183.35 9808080.526 10835640 11250407.98 8008973.355 9177720.651 5756494.687 26345493.38 16374211.54 12457684.62 13173286.62 10729965.09 10284505.1 11256016.41 14837477.07 15282855.52 11010370.39 11265030.39 8105987.125 9312094.553 10199848.99 8903753.769 17124559.44
D-PANTOTHENIC ACID 74303872.16 74835885.36 50568075.72 50665216.95 51268158.57 53671443.86 67561480.3 50178901.65 46229021.01 35372336.97 164980195 97673411.51 184049411.4 85066347.91 82557069.33 76963306.42 100768442.4 100839736.2 79837855.66 74897371.83 65477385.28 54950200.84 69626589.21 73546333.3 83836196.59 78460428.32 52740509.6 54121905.88 57008434.47 49801696.5 91188817.79 87193172.67 155164636.5 110506469.5 94867298.49 96725024.12 63939875.38 68317330.26 86910770.37 83215549.25 83587825.84 83468094.64 69926127.85 72159005.29 59913051.81 64475026.82 68698443.6 54918244.52 59461721.17 58993730.97 86447465.22 76875101.41 57942231 54964470.02 61463623.21 54464508.91 86881563.77 71040407.74 143977005.5 129031084.5 94471970.97 95710040.65 74524062.62 56840724.66 47400613.96 47270179.54 60205095.21 51852883.59 87130269.69 75907159.37 105042714.1 91005889.07 61180583.34 54765093.32 125110938.2 101154242.3 94538863.15 91650530.74 57573489.19 51981075.65 417766.5924 2123481.129 662380.4699 509422.4696 477792.7468 374452.2744 395938.371 769131.3659 72736623.24 74570603.84 65565118.71 67578255.05 58747968.32 56621689.77 53422431.81 93148051.49
PEG n6 5375495.496 5667108.385 6496596.511 6247530.743 11868625.51 12219564.18 6830289.112 3453638.528 4963758.326 3018582.836 14322184.79 8251364.469 20114862.86 5197948.773 10052591.36 10267968.14 3317014.518 3615768.625 2806920.462 3208106.576 11070381.53 8580645.08 5917988.441 6375047.454 5508589.446 6152693.902 4090201.617 4872550.686 4579002.101 4462988.044 4163169.546 4231848.489 13350747.42 4527622.73 7848048.32 8244383.183 4340036.217 3839097.585 3272963.089 3476707.963 8099295.851 7305329.042 6130528.187 6297698.596 2467431.784 2797364.824 8700855.96 4411893.227 6227676.07 6552100.901 9257330.628 7944420.351 3524755.267 3919616.094 5249546.086 5373637.856 3734064.213 3448875.37 225716278.3 192031296.6 15086741.91 14983195.29 5061455.01 4666454.793 2339918.302 2901694.365 3781634.496 3850152.628 2343151.154 2560582.239 13700859.59 11604359.23 4494401.504 5225575.497 10698448.57 3890084.261 7361957.435 8380483.981 6294611.677 6101247.447 1217801.177 1856751.725 2491219.169 2146339.048 2138168.05 2037077.139 1962747.939 4880656.147 56705688.98 53067280.04 46820742.23 41064697.47 39941934.65 37013419.99 34747621.15 77916945.34
PEG n5 7740545.223 8246783.904 13357055.03 12566025.96 11220126.29 10412799.09 9805098.49 4778905.963 6875496.554 4027479.427 19981948.94 11911865.49 44027133.43 8871769.767 15964886.24 17218609.5 4116162.862 4535662.088 4728820.009 5674632.849 11593743.71 14023506.97 16579719.39 18459473.56 7617984.239 8619707.511 5501732.735 7339146.171 6015726.95 6179508.82 7057737.634 7581941.137 26445115.68 8082273.745 17300612.61 17068252.49 10672500.14 9833576.38 5084710.411 5383679.827 9265977.328 11491523.97 13768504.07 13275652.82 5198634.817 5683281.639 12285093.86 6039685.108 6314405.056 6325138.238 20662057.32 17302120.68 5748221.205 6919986.874 7050979.189 7270881.299 5277764.032 4800389.988 196819317 157836254.7 22421103.53 22244799.63 7761188.468 6774764.058 4230509.321 5224038.417 6047689.844 5859961.17 2988173.654 3194721.335 32036362.72 27922061.2 8918773.411 8904455.088 17771986.42 5100909.171 10946109.25 12175910.03 8624432.727 8939399.793 2839069.498 2476853.642 3560327.305 3454624.246 3386622.344 2929463.814 2807224.079 5677150.785 13531554.54 12504217.49 12213547.25 9792151.816 9814342.666 8609680.445 8535000.036 17866557.37
D-(+)-Proline 32939735.12 39697193.7 31914182.11 108698380.3 91835225.18 55452256.47 54138085.97 66990362.95 49027583.74 4974078.471 99186439.87 57740466.22 20608752.89 54269412.81 86253775.68 9547240.319 77151478.56 76682418.78 139351224.8 103042601.2 48575208.95 28818949.84 48301146.89 41058674.49 60051650.1 36529027.67 170920951.8 69851498.06 62232196.76 40568151.5 103124868.4 110525372.4 147412804.4 75570522.72 63830574.92 174929304.8 19149974.14 6219594.409 28170684.59 66230689.24 55885247.2 13862923.47 25494490.51 74644120.9 132896495.9 96418127.04 88203292.47 7837550.93 44434845.5 42247358.99 101810641.9 72417727.18 124527307.9 77109433.72 8522637.588 55286189.07 52297591.82 34453624.5 98366088.53 46013513.97 122399545.6 56450375.45 34379242.2 45226001.95 67255007.51 91819403.03 148703173.9 47185557.62 85606163.2 25452078.11 15107505.72 23701078.62 100000581.6 99564791.04 52430646.79 47839283.38 133139482.8 184015488 50809771.36 11536834.36 808999.4083 1395633.869 1408525.055 736615.3919 460066.4599 557479.4138 450605.0355 507776.0946 10020778.19 19179530.84 62885587.99 43156152.47 35779358.74 10724928.19 41584048.97 55907403.18
1-linoleoyl-sn-glycero-3-phosphoethanolamine 52747520.72 48350611.85 47701598.04 44414013.69 44840742.85 46968174.8 72713499.74 60704863.51 40840614.09 31241081.64 83107493.61 41011135.06 91704656.59 74176342.54 99116444.85 77985555.49 81180574.57 75774339.87 45920489.21 44279620.22 90881291.05 69951481.18 146286394.6 120128857.8 37429538.4 26964002.48 52417303.01 51110871.43 49182246.1 40522061.13 80112706.97 74938613.02 129094488.9 130517378.5 69346651.22 68957521.38 24064914.11 30668077.81 59600950.38 57206417.04 77628426.06 56135816.37 79939515.88 89484339.68 70329585.82 72222549.12 50299742.11 47154889.71 43156765.62 42192942.75 77007632.31 64723545.01 76864735.91 70898785.61 63082113.81 55897661.52 54920963.89 48736775.71 171625524.4 172834803.2 141988273.2 128587447.7 73026292.24 50393372.9 71530760.95 70317060.28 69898867.2 57860581.41 73607844.6 59884767.09 106868750.4 80673043.34 95154946.36 64077850.45 59914956.57 53975393.93 47810629.17 45697072.94 54651430.74 42616966.26 54209.26706 116276.5918 58474.45529 78053.75628 114849.0658 96127.39347 101082.4742 407466.4664 93371442.59 84407254.87 72546296.92 62797605.11 58018985.89 57201855.95 53542593.9 145717774.1
HIAA 42134945.63 39679681.38 36436235.43 36980737.21 45808200.99 45983862.04 32609575.74 25321292.61 37697994.54 27565253.77 35087800.21 20374005.96 36049927.04 39572456.31 33830944.51 27338073.45 20822343.71 20890328.01 26953034.25 26864567.1 37668279.45 29606035.16 47458457.46 52019552.51 82172037.83 77203849.43 39131364.98 34668300.16 48102271 33951286.03 31574818.62 28098365.81 29093703.55 28675146.21 23372238.99 23981365.88 27904425.64 31795575.6 20857360.65 19133199.14 84626165.24 79434286.25 62757705.33 68187350.97 31500793.49 38505868.53 75718388.66 75183383.05 68184559.28 81653590.59 79442543.29 57573104.07 25895430.84 23177843.8 19231952.57 18961503.06 32228857.5 28301949.11 121307697.9 105842619.4 110649114.3 107794546.8 163009030.8 106919118.2 60597142.58 59045176.77 103413056.5 90844097.85 100596168.4 90506179.04 102656054.5 85618075.54 40982066.3 33816338.33 51282715.08 48995680.82 59583039.09 53580227.08 54688756.25 46463376.62 262198.4105 72124.22402 90175.5455 64913.7526 65107.81491 65774.51806 65230.6949 150744.0682 50132600.93 50945740.9 50001148.79 43611031.31 38525336.77 36754567.23 36723006.51 69130973.57
L-(+)-Arginine 38305970.18 26786943.13 28880422.38 3650252.727 31633245.18 32907190.62 13002629.24 86433718.61 39947589.96 95708831.05 82291761.08 153824153.5 71058382.67 18358057.62 67699289.65 20743770.5 49050487.96 36137459.09 21600285.1 24398731.13 47982835.51 13447247.02 48972190.23 55882795.4 41910426.75 139485216.5 35266638.43 32772961.06 12508847.12 78195813.94 47690069.71 58272640.43 22768478.14 17286483.69 20502519.67 15811893.43 100733314.2 16916345.77 49604440.83 17681802.51 13363097.49 40022097.96 54223794.78 72042220.77 41081290.57 30779971.91 16119528.54 95011988.08 25837482.57 31221985.46 22056477.64 21724810.5 39078072.68 39298316.74 48026468.06 21454799.88 17912924.05 16584915.65 94585446.24 108265904.1 24026681.42 20279482.52 66070589.91 16679629.47 4932817.595 44820886.45 3195461.992 11826861.61 16540384.32 106160274.8 78683223.97 45208287.12 11592937.13 5605183.556 17577601.08 20687029.51 21803965.33 26322524.42 15334734.47 18011496.27 253794.6769 626045.3228 137174.7542 676655.1281 665711.0595 676177.8283 725795.67 1401758.304 42035787.2 49757713.78 56941613.66 43213738.66 30984862.74 35859698.79 30242372.93 68167425
Creatinine 87607579.87 94834264.97 70417179.85 71608398.49 67835777.83 67681564.48 108758792.8 87206126.11 85964161.66 76842097.98 127147421 71038576.36 77272025.88 75775725.09 78642640.38 67142982.85 89796218.38 89369068.06 95472786.24 88356000.52 88240158.47 79728600.32 122464141.6 124847846.8 117716337.7 114056192.3 90328315.35 93083379.12 100260648.6 97128711.75 96094387.34 87326068.39 117864395.5 117034094.3 105157854.7 90495238.57 76478254.86 100151507.5 84354926.9 89520752.69 91944217.33 99022395.25 104268205.6 106096666 97245385.64 98019040.36 91317991.86 85061802.64 78581700.8 79668658.68 97936109.33 75474515.52 48948991.76 54517188.93 76318905.84 65978592.12 80623400.82 70409636.38 107173700 103284751.2 151123344.4 149123907.2 130014628.6 103294120.9 130033539.4 133652363.3 85642807.53 71315665.21 129622659.3 106632825.8 104845103.2 87326957.72 115206480.7 100419122.8 84004861.66 83024756.74 96013202.54 100914344.6 82411746.2 68801996.58 324170.869 367897.3046 87273.90547 986965.0626 1075114.139 99308.89302 1086363.692 1504531.142 86578651.44 84037907.75 70193854.99 70480046.92 70239846.65 74169042.71 69395543.68 98198868.07
L-Kynurenine 39714614.32 37693320.69 34377283.33 33896759.15 43115091.48 43003971.75 30799841.28 23599264.3 35568234.59 26142449.2 32969048.2 19176465.66 33877388.65 36799706.6 31976802.2 25660146.24 19412956.32 19655475.74 25208238.49 25210072.91 35363095.08 27908632.93 44183300.3 48866411.11 76570696.68 72222421.78 37149100.77 32642027.66 45721892.83 32103633.27 29794824.52 26497256.8 27240619.92 26858160.22 21962974.42 22520848.8 26308610.34 29885807.62 19814650.04 17817700.75 79417914.53 73803147.3 58196851.35 63913744.14 29831956.46 36030508.84 71080076.5 70530316.44 63566395.65 77160805.38 75132670.93 53642089.75 24334547.9 21797913.54 20440012.75 17931141.28 30269081.55 26780219.56 115639575.7 100777985.6 102787525.2 101981639.3 151731879.6 99135107.39 56520960.63 55422110.39 96593058.64 85348515.31 93758229.56 84732562.35 96852602.56 81227263.02 38259682.51 31779873.39 48480320.42 46293515.9 55545516.71 49781260.42 51263677.75 43758801.54 149105.9768 41126.49749 155660.5744 37215.0035 37441.93446 78213.03526 42906.63094 161870.5796 47317004.66 47655741.52 47618414 40874256.91 36101477.02 34826326.15 34440653.08 65489279.35
Cytidine 57870330.94 56969890.76 25665447.73 27864714.21 41377929.6 42572499.66 47918171.74 45108829.87 53012209.74 46624807.44 137618249.6 85582574.21 77268227.36 76691606.7 60564576.25 52591320.75 54987718.23 54085597.63 80269169.74 80402188.65 60239584.76 49555438.21 62892541.63 65665152.87 126062451.6 130576160.7 28061118.7 29146468.58 45387797.29 37894832.49 49082938.58 45889212.44 79266920.3 74695433.23 47159629.29 43984174.04 86253633.34 101871028.5 45073092.82 47372295.36 68944494.02 69965972.63 65742099.39 64056751.77 55040545.62 55807688.83 62090147.16 55136307.87 36755976.67 39188909.58 93035899.58 93851471.15 39870361.21 37906571.7 39104894.36 34486597.66 51690217.42 56104895.95 147751721.5 145694656.8 136150226.9 143858533.3 144866467.8 120283985.8 56425766.16 55799958.53 62971902.57 56478398.06 126304691.3 112803225.4 93934576.48 85296338.77 69203305.68 64920599.57 142574554.6 132105731.4 120832111 120713050.7 101251407.8 94907533.53 197162.9063 175966.8621 64925.51865 58274.72056 52423.44067 53730.40192 52874.82308 97166.48904 61540765.87 67838567.33 53142120.62 48646463.4 43696436.83 43614293.53 37884301.84 91168155.93
Meglutol 91839649.06 71608830.83 40192772.9 42984555.96 49173246.52 53878510.21 40130501.34 55936003.09 38375067.24 35298220.45 118626218.6 138416826.4 92735160.38 108306104.5 99375320.81 93042274.22 75167470.06 89335153.31 89007498.67 108328131 86492634.14 97863494.17 74784490.17 78212164.74 109479637.4 96711032.87 45031639.89 55264493.89 49073239.18 46419481.41 153357735.5 156911165.2 103093201.9 98691301.17 98188258.5 84376387.03 78359387.71 68365072.53 45069896.53 48048569.29 86831741.36 87340205.93 93364451.5 88735653.16 79091608.37 98433381.74 75958164.72 65747038.7 52087375.68 46822756.15 131502172.1 136567946.1 49628860.33 61429897.52 60177866.29 64747096.39 57822233.18 57750409.61 90844669.76 101423477.7 157001331.4 143643871.1 91349269.07 127776654.5 83516067.46 92103399.22 71243700.04 73931671.58 63962629.09 64685802.2 156455645.9 127176230.7 116958030.9 140474080.7 110236297.1 78299937.07 158801872.6 146558315.7 76819175.45 55951970.54 570854.9164 1469313.297 1550792.859 557866.7212 554755.9053 2244491.258 2328691.332 2115951.579 102152329.2 94867215.1 82657285.88 67412690.86 70520792.9 68481114.18 62324861.1 125723444.9
2'-Deoxycytosine 18533673.9 17306756.72 2740533.785 22158400.63 13618215.77 19741304.35 16478383.35 16650539.06 11839870.68 13988472.79 9410480.554 20106119.5 3397897.093 26186600.07 21260968.52 22487999.31 19037238.75 19192280.23 9831155.22 21292866.39 13703369.79 30573011.03 14916962.6 21037786.41 19876945.45 1692374.562 23274322.1 17338879 2441734.912 25616158.22 18677963.44 23083036.38 20575417.39 16663760.11 724536.3909 9059599.84 152445089.6 17631051.75 85662590.39 22268446.95 21807923.42 14160033.7 10604379.11 1303202.756 10503584.48 21170083.28 7955421.559 19907162.73 19452587.5 15013461.25 23317952.79 12808872.31 7724175.07 8797123.573 23571716.18 21982331.02 18930144.21 20094929.81 24404000.22 7030071.466 42159996.55 28838267.82 25540290.28 21851287.96 28490535.32 20793022.98 20910421.83 23082000.05 7233728.211 10343106.87 22314573.68 21274027.19 27314426.54 22232866.07 9846368.694 19846621.82 677006.6305 19254596.55 6118144.792 3499351.949 5128966.711 22856549.07 19538596.47 22622241 13454533.69 19436290.93 4341851.135 5687278.536 3261051.561 25560720.24 19750086.79 11715679.44 11884206.78 3133431.524 6760482.495 3292666.973
Pyridoxamine 59236427.52 63709187.52 24796964.84 42815063.45 57106873.4 57278062.74 50969374.42 47325433.23 48042848.09 38159846.5 116897940.4 67941020.45 104334281.7 107743180.5 97140078.47 71856669.63 83863767.82 83509276.25 86297646.76 79314956.21 78776176.96 65574551.47 104834292.5 98399856.83 105255525.3 99543074.65 52530058.86 44950219.84 47678045.09 37699273.67 103400034 73688671.35 99420368.9 80680101.66 78334437.07 75968945.59 57907200.09 73121890.11 55403718.25 59677403.06 87249462.19 70962458.19 110995211.5 106923198.2 73145506.21 67382697.26 62392019.63 54049652.18 65411615.47 56919991.3 109886278.8 83779573.83 63460087.71 48087302.25 63514606.55 53638776.61 64866585.47 51132380.22 115571754.2 108064916.1 151209194 162375666.8 108381547.2 111666474.4 53551907.26 88423167.84 36787618.06 52906944.85 67633678.13 53949156.36 130510043.6 102278139.5 127078986.1 90322855.5 87618269.18 69383463.3 131703522.4 114012586.3 67976916.4 54050418.84 370187.848 285910.5661 278978.1142 164027.197 160316.0092 120206.0027 169031.7975 175570.8731 91217574.66 101274873.3 82585874.13 82751983.41 89302225.58 67774092.86 58252666.23 118587605.3
3-oxoindane-1-carboxylic acid 9944470.155 8969923.545 9578509.939 10035072.85 7984829.915 8096732.248 9134351.635 8542548.914 8610029.547 8665932.16 11034969.92 10122446.83 9173979.232 9513727.032 10592371.55 9690421.546 11274075.78 11062348.56 8797581.277 9167033.347 11183534.08 11633408.61 11252318.94 11294728.85 10026488.79 10831124.68 8214225.692 8893573.024 8890806.413 8902362.913 12086275.26 12591717.61 9924169.661 10667941.61 9634220.309 9846637.005 8497000.614 8094330.41 8343901.712 9167540.688 11574187.28 11655827.37 8792332.841 8699105.077 8389211.455 8909199.82 7997572.828 8506534.712 9070363.508 9357300.156 9603789.642 9537356.264 7654743.801 7690936.168 8472203.154 8517279.853 8921765.629 9061237.472 146987487 14279742.86 10869578.74 12763715.52 9624594.271 9731325.011 9430371.738 10366790.21 9102637.839 9820065.718 9249397.096 9207618.775 11499192.49 2598779.938 11560839.4 11889956.43 8771936.158 9248207.3 8760983.191 9424799.767 8088204.169 7488108.127 12311676.78 11235412.65 10579768.27 10238546.07 9164381.22 9302162.997 9644856.904 15233549.69 13053505.6 10975470.48 9485830.085 9473819.137 8895916.546 9334425.15 8963961.839 14540341.72
Azelaic acid 11982648.19 14471630.51 17813688.74 18554944.76 62262933.62 61012972.95 17167287.27 7064166.365 11097962.13 9324101.646 57609866.27 24145018.26 143898324.7 94469138.89 26873737.81 25801243.12 9021183.613 9685394.357 15871513.74 17026929.16 10081916.24 12107549.67 13109661.85 14979471.46 10760425.56 14003526.41 39217765.78 41972448.55 15048897.29 15567697.3 10041437.08 24943035.11 40714489.63 12487377.18 23347242.17 24684479.87 36211042.8 42841986.34 12025716.38 13988912.33 15202191.76 17437008.95 56126478.46 60442203.86 9355858.738 9430657.803 32403649.57 9702807.357 12528222.08 14634078.71 24070046.96 23554117.58 51655742.43 50303325.88 11733033.13 12915098.65 9982636.985 11165533.12 19686626.33 24721155.6 15951234.83 32843596.75 77867557.51 56241936.02 9299669.062 13099316.74 20128506.62 21469373.68 7408964.552 8312704.435 48778819.28 49461116.72 12507246.29 13758387.14 33818438.19 10889351.43 72197603.79 71506306.21 30446374.9 27683586.79 17368701.36 11012134.09 5845293.746 5614561.864 2889342.868 2865051.54 12526092.17 23226461.94 23555951.06 23125970.8 21994930.2 20185726.77 18474647.18 17117457.7 17014784.01 29196931.76
Inosine 5255368.974 7898661.388 13121480.61 5884095.89 10586901.4 12505136 12547663.29 5300301.789 8416310.516 273440.3966 17930646.09 12355691.28 164407580.1 15404518.94 14543706.85 11876890 5213573.987 5349827.322 3274043.847 2801497.326 10611693.07 7522041.528 1394125.665 1444015.917 1997859.023 2055927.934 4562417.181 3796600.551 5756516.246 4868705.588 14281467.07 293864.2681 58796373.34 4263303.753 1519021.438 1749497.304 120272.3441 1409421.599 4908081.664 4694803.629 29460136.23 19465882.61 8484135.693 9600247.727 12368679.16 8743409.848 14791171.68 5717181.031 2721907.741 3291135.601 13670716.87 10415946.75 5782223.957 5516867.096 4707271.154 5111782.495 8653184.966 6910688.738 12296499.21 11339381.56 129815.6056 2390872.408 5283055.37 475444.0239 24568426.24 23318737.59 15588970.12 13479312.18 6423234.548 5766924.07 10035992 8831401.821 30895046.24 27149415.26 31970227.81 8414762.314 2851744.249 2846269.903 2030285.635 1284390.987 580639.7723 523201.9492 235063.2726 230061.0184 103532.3405 64415.20409 120123.3665 196493.1849 6128010.002 12954176.53 1876032.555 6442459.607 7113727.265 5505420.061 4820118.722 9289583.256
2-Oxobutyric acid 64448208.41 62959401.56 19831305.45 18272357.55 17457877.48 18577458.49 16316352.63 13298596.87 20098734.75 22871518.35 35877176.58 20772504.98 15273602.65 15454098.23 15156535.76 12528665.67 12222035.54 11440940.26 18955377.89 17162626.64 33242782.15 29041600.88 20969252.77 20525453.91 100227224.2 118880199.2 20671859.23 20100164.21 20541797.18 17832187.27 14618159.36 11882827.19 11827345.82 11550359.81 14286939.75 12354640.84 67889355.57 73287588.21 13268466.9 13169145.07 35112207.31 33048595.3 27747967.48 27025487.68 23992995.72 24234241.72 17597957.2 14201763.97 17157411.58 17395744.8 15481265.19 11374289.28 13354257.05 10638998.95 9947999.173 7891444.604 11283023.9 8649434.723 8824274.536 10784649.62 14195374.52 16312719.75 126682838.4 97924502.42 20748345.29 20298290.82 18119296.96 12104080.79 79817856.85 73592791.04 14636828.72 11977283.89 11674615.89 9518970.672 32716084.27 30275613.73 9133621.866 9717632.6 58764766.38 40156024.15 171362.7396 198649.9669 232359.2223 410668.9617 330866.1545 487812.6467 400770.8093 184789.5868 38011133.48 34267052.36 36443169.03 36344678.59 32765993.97 33949884.56 30764774.91 42462658.02
Precocene II 7116833.262 6641559.254 7313363.632 6590793.068 6464951.756 7142126.332 4529556.641 6489821.019 6705740.572 6893069.446 10198566.24 9911905.296 8431712.127 8074833.591 8689851.299 9173975.955 7184701.973 6588179.572 6426931.869 7121155.638 10568835.61 10284517.85 7762057.344 9924615.576 8190088.792 7628202.047 5917727.938 6142339.332 5867089.888 6672097.341 9822254.058 9483166.069 9051582.407 7684103.835 7489281.15 7964152.99 5671656.427 5830859.65 6659844.063 7333034.692 7990841.468 8157597.069 6700389.72 7645220.005 6524427.53 6985310.578 7023453.659 6032505.295 7132741.791 6814731.996 6828842.028 7210795.244 5970004.159 6729154.363 7397890.698 6507884.024 6480755.368 6888126.527 159022162 14804045.98 9195692.367 9561015.996 7313754.412 7570338.862 7707596.918 7587523.083 7414096.585 7697774.051 5655169.597 4395683.409 8595798.852 5995962.135 8923059.778 10849163.6 7382224.198 6511118.259 6601063.653 6728534.686 6222488.444 5473908.157 13482518.28 10129315.11 8249752.784 7830798.037 7415595.796 7326929.386 7454417.375 14136782.14 10263034.48 8338092.345 7270873.743 6422847.737 6892842.497 7187980.337 6984433.487 11786156.46
3-Acetyl-6-hydroxy-4a,5-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone 7785025.928 7720132.629 7840044.364 7643812.881 6368402.168 6467730.225 7779004.987 6959458.538 7005710.579 6758525.762 11996842.36 10030695.91 8376864.709 8239984.839 8938837.608 9587398.241 7853300.611 7676108.201 6832341.699 7790273.657 10639694.01 10217322.26 9419481.121 10531657.37 9127305.636 10086630.03 6595367.939 6589000.693 6961085.887 6808371.23 10454224.7 10414736.89 9095417.408 9307991.523 7295705.225 8440288.587 6852569.28 6452221.167 6777345.479 6949625.548 8741937.389 10356798.41 7413678.871 8251745.301 7653630.17 7137911.683 6917357.625 7043416.851 8094194.155 7036011.454 8409111.929 8388428.213 6579197.616 7054069.698 6632166.197 7512357.649 6800022.192 7051076.371 161586483 12988311.36 9829012.712 10140436.26 7535969.514 8657579.019 8191036.695 8985108.296 7445153.699 7461806.811 6833869.246 6558402.254 9571522.961 10705763.2 10698263.79 11498076.07 7551851.645 7259845.464 7360977.232 7129357.261 6436131.871 6472453.388 11327101.19 10270738.44 9372066.609 8313564.405 7347412.496 7446097.557 7783822.509 14493993.05 10441844.56 9825966.936 8436728.641 7535373.912 7245466.884 7117854.488 6651805.682 14024674.26
UV9702000 16276012.74 12692848.46 9284578.154 6101270.152 6477215.501 5742759.135 1368928.99 3013510.95 2611547.275 4790404.587 5071098.022 4767205.474 10102456.96 11374044.69 10746796.78 1888935.417 23098576.43 21528795.04 11683804.6 11895583.11 242030.2679 1651801.891 9579457.693 9240977.731 13598853.19 14364501.11 659515.6811 4817849.369 2549463.375 3116265.81 6700149.328 1358017.376 24459496.62 68901911.79 183286859 535237090.9 155184752.3 346380.9124 50940869.43 3804144.201 1575732.2 1023903.219 25905618.72 36459404.43 11739061.54 12975341.56 11956884.56 7750124.257 7040199.039 7474840.76 5704067.8 68617039.83 9787733.167 6507518.508 429500.069 3409137.997 3729977.901 375148.4155 9951908.515 11928632.56 12807860.32 9708915.843 2172996.772 12351271.72 92587423.9 105543927.8 94386366.02 186666430.6 3588487.641 5357252.763 1018447.465 1207652.218 5575236.609 7323603.082 29506650.4 2263131.215 15890976.81 2184481.517 4065347.817 3289383.165 2682782.601 429731.7114 1785624.149 66197787.95 434230.0565 347254.9451 3275331.45 1582232.267 4192015.768 7824111.443 2341826.106 39241236.52 8337648.254 827191.1131 2137500.729 827191.1131
3-Tropanol 2199111.316 2210046.748 3128107.068 2868638.042 112127157.1 110827564.5 758585.493 663321.5388 2748817.132 2321689.049 1921118.486 1283888.921 130802947.2 134531743.6 36849854.03 36138104.1 700100.7151 1114508.439 1831811.602 1925062.134 4000493.127 3471062.947 4882853.825 4882987.692 1970328.271 2611199.351 69292877.89 71579030.64 2583431.597 2261339.906 2665244.07 2331853.491 10014843.72 8765315.591 1026138.575 679430.9109 62426167.34 79004116.08 1020273.818 1260168.913 1184252.988 1294425.353 82945517.02 84759489.83 735101.913 840455.7211 1404457.245 1244486.112 1163178.419 855088.1046 1315467.165 845525.3886 75469453.81 73600925.53 816887.4657 865049.7332 1625961.422 1369657.909 2441127.44 1567984.468 901372.6609 981299.7193 122277116 99656999.2 738724.0588 740847.3447 2713380.573 2374292.112 8386227.408 7242426.789 55230811.49 46547551.44 25024756.65 22635283.06 2732359.855 2228520.689 14466820 14528439.1 47110358.2 40303957.42 650019.692 671478.6024 651570.7933 701644.3698 767227.6121 619209.4536 713780.8122 542217.2128 23018441.95 22353016.64 22127907.07 21861325.18 19367682.38 18373758.77 18290821.84 27338682.76
PEG-4 23529118.29 27779350.38 25126102.63 27378695.08 22753720.94 18838230.12 21732888.8 14300084.66 20716517.57 14547112.21 66193184.32 39270284.08 89799734.97 28485192.97 63841028.27 66443245.65 20261027.37 24163836.49 19793945.27 22852071.51 51390963.44 46746680.86 66373106.44 68865625.73 24140308.81 29243455.2 15372476.97 22138124.62 18643107.23 19123309.17 25056845.27 31084722.94 55979625.82 24386362.08 51422300.41 58500085.75 26456792.83 26889428.7 15567840.32 17939341.78 32662649.74 44334012.27 26795514.95 30160343.94 17966957.3 21912407.68 32090988.27 22758055.27 19125714.01 21818717.8 79483667.74 67333525.94 17777716.12 22028313.89 29945771.06 31801633.94 19899844.79 17670279.22 115997080.1 96906935.49 33862198.6 43642147.02 27003047.7 26815195.19 15737930.37 20785760.27 22528808.14 24177908.06 12343906.5 13404503.82 49284913.9 53722433.75 27083464.84 33058470.82 39778936.45 22059461.22 31860954.45 37906230.35 22008984.39 24399826.07 933473.5348 8525308.877 13062634.26 13143659.21 13350103.95 12835407.75 13056799.28 23911302.64 32333771.46 32609557.1 31747436.77 27976570.54 26207449.87 23596002.6 23551998.44 40796481.69
ascopyrone M 82022745.59 69273546.62 35857053.04 40995369.07 40810653.37 40838477.71 34913879.59 42976227.75 39975788.98 27708806.22 78600778.04 106790131.2 80001013.9 102654997.1 83353025.1 78837015.92 74244256.51 72936313.78 84257580.93 93642689.15 72118251.69 72277636.13 67916718.4 67033163.85 76636413.67 84932315.35 47247881.46 53260228.19 39606367.21 48609704.16 136634960.7 130114392.7 94267512.74 91468255.89 88940936.79 64183259.49 58028767.49 55637472.68 46255378.37 34973315.8 74806919.92 67852094.92 70861513.07 76355344.29 72412293.68 84349170.85 69433074.56 47755316.65 49234763.05 42643321.21 103253459.7 121917762.3 51527036.31 60963993.07 56727384.57 63247936.72 39854091.85 45153039.01 67232358.47 69558813.85 122338140.2 116474028.2 77433391.78 104976039.1 78008725.17 78528312.47 68493986.24 64193870.54 47191604.26 49172364.98 141928310.5 103784048.6 97272330.91 123305644.6 71464843.5 54130705.69 115584163 114077894 55032620.88 41189542.99 626399.6518 1986031.462 689772.2273 98524.60597 714857.6297 2611577.43 695731.8969 1644623.622 80591337.88 74685167.2 70836683.5 59175078.97 59484906.74 53799408.6 52883930.03 96259681.58
PEG n7 3741862.842 3763517.5 4517375.918 4239813.738 5052440.996 4861496.135 4939793.459 2951468.537 3445138.628 2167546.949 13815786.27 7832579.963 10878186.75 3415351.987 3835627.742 4075245.635 2609433.676 2813441.251 1770299.464 2060711.955 3406747.418 3347371.992 3811654.823 3842336.741 3255796.101 3360663.358 3257301.099 3690567.284 2254747.567 2150770.34 2742741.483 2742379.719 7533502.052 2996101.881 6028971.653 6427070.179 2835178.379 2860396.235 1841983.375 1915396.333 2847394.524 3539739.022 4119390.275 4168699.127 1723911.459 1765978.025 5475687.074 3308854.952 3519347.548 3613965.93 6322731.106 5444970.995 2578031.616 2588472.783 3505274.595 3507320.905 2169730.113 2087896.06 68635891.78 55978985.97 11981705.79 11672252.57 4900051.94 4262601.63 1545353.118 1857663.486 2526764.977 2424159.285 1266302.501 1312238.259 5721641.058 5006894.176 3594518.994 3400207.626 5801313.067 2305192.917 5670110.618 6032980.469 4724168.317 4662956.318 927661.4244 1283569.919 1362026.67 1323440.107 1240306.343 1177469.171 1142893.844 2415148.733 104590744.5 91546647.2 83483171.43 77238506.97 69759187.05 66524968.06 64978946.78 138248233.3
DL-Homoserine 35440008.01 68680645.9 4653398.629 25267061.24 20774189.99 44881072.49 14682369.09 93712493.61 19282196.13 24226337.32 2033507.543 39826099.39 169186632 112324351.6 129231172.9 47037785.31 232558038.9 242214759.6 137474356.3 26544265.29 25036226.5 14544746.69 75092124.65 52391382.95 106374615.2 133857110.5 3708637.484 59938405.36 23772324.67 19932102.51 69898401.19 64754990.23 358570104.2 230295986.1 2998223560 47066474.9 9352286.676 14536807.15 20709686.29 6552295.939 42073230.4 101222488.2 845212027.1 1055976426 151781953.8 5895377.053 28373488.39 16102824.48 22832374.02 92262640.66 1355934671 2243812975 4803544.835 57219711.13 40391335.7 55181506.41 1137712.78 24341323.89 8770518.442 3468396.878 162990128.6 50896712.58 96897318.2 138584632.2 221361490.1 1722866110 472267601.2 140300397.7 1831145.289 1733203.069 93218940.22 99015467.69 115409886.4 88797608.18 89400398.64 156169920.3 287043767 202155226.2 35324720.87 55321610.29 5106618.38 217878.1571 19048217.02 28745772.6 7765699.093 4873448.312 3298130.344 3226659.933 29946253.55 85093491.68 4733829.525 4025361.199 70967546.44 44903755.73 64196413.17 7872870.097
8-Azabicyclo[3.2.1]octane-1,2,4-triol 1470198.968 1503568.615 1729359.695 1681904.128 78248072.51 82227875.98 557234.45 473787.1266 1675526.851 1345668.766 1016636.982 625924.8388 104619968.8 110984985.8 17003496.42 17362913.44 258021.262 382881.8907 1210795.777 1142557.307 2134678.554 1240123.927 1781307.641 1840203.611 2015678.791 1984343.74 41172832.01 42060529.59 768974.9251 652723.4368 784754.0003 1020929.937 968922.9154 711703.8191 209440.3392 311272.0086 26525825.07 32823957.58 427958.226 366263.7151 1585216.081 1672712.541 53951887.16 47228204.62 1652890.521 2150889.008 856071.1801 562867.2584 904497.7547 883008.9231 501032.0379 426743.0462 39547974.32 36985310.95 973183.1095 960425.1475 786379.696 799638.96 1058818.195 496333.6349 575689.1124 488396.756 114890687.6 82590304.1 944309.5021 706266.7783 3332536.783 2048034.441 1950407.828 1570705.505 31575924.84 25007610.36 2678909.897 2387809.154 724638.2233 650665.5597 10079461.92 10082804.69 22875917.62 21361393.3 306323.9631 118133.875 155486.4752 174768.3535 243157.1125 255932.0851 231929.1628 402331.3928 13402302.12 14226379.9 13443529.27 12931141.59 11399194.75 10449403.96 10415021.12 17509010.83
NP-021844 7265207.914 7050541.97 6225049.034 6616738.337 6852745.149 6093287.095 6263364.305 6948150.215 6644548.482 7536251.806 9160087.718 10159815.04 7473644.366 7881879.835 7071376.185 7450875.904 6988149.968 7235994.064 6245897.618 7089820.713 10547712.68 10963609 8645780.848 8165346.545 7983209.315 8565568.484 6306349.183 6350238.91 6954690.636 5966045.074 10414596.71 11097562.56 7417466.143 8292972.663 7550999.951 6881619.798 6172535.836 6096775.563 6973252.511 8308082.251 7803287.843 7850989.736 7500911.536 7024737.036 7264378.062 6144515.786 6697972.441 6681491.115 7144754.565 6267944.795 6594128.9 6715716.236 6351621.241 6364714.903 6538274.064 6083954.735 6283690.975 6924472.61 146265759.7 15805610.03 9030293.063 10553763.8 7199315.873 7541246.851 7828939.892 7011907.561 7095123.207 7322412.457 6354398.823 6788812.395 9083817.853 9421042.151 10220070.76 9868282.696 6702766.467 6402356.441 6530613.597 7002757.259 6472942.62 6884244.37 11878078.45 8541057.669 7828804.196 6309484.368 7055596.078 7657947.67 7149557.141 14494734.26 10215661.86 8076129.477 6877049.63 5797542.232 6230839.449 6207237.999 6162198.261 13008940.89
2444643WXK 7357198.043 7904785.14 7517924.622 8418062.274 6177791.945 5651092.893 6053974.548 6104148.733 6694553.894 6682101.335 11168142.93 10739831.36 8425497.061 9199756.714 8630081.864 9596590.454 7146342.617 7798349.102 7046813.877 8452010.619 10996714.69 10514144.71 9231040.491 9830853.069 9237521.353 10518165.2 6524830.165 7087451.993 6770887.225 7101976.13 12764614 11698896.52 8740725.564 8613374.802 9410696.572 9187228.579 5424043.42 5219022.232 6408919.737 6891917.918 8925757.751 11078334.03 8850556.197 7915817.703 8038713.76 7285398.683 7260100.419 6856226.367 7327647.965 7825205.192 8350356.622 8280956.803 5870113.192 5976283.912 5660834.362 6059131.431 6324321.708 6599505.265 123506409.1 15992557.24 10194553.32 12052095.42 9445643.021 9775759.641 7916186.786 8815398.908 10706203.2 10389626.83 7780229.886 7430399.693 10849573.3 10973340.66 11571109.98 10672800.8 8313453.169 8418670.944 6447760.55 7513327.274 6393912.226 6996770.914 10300163.2 9209489.151 8960889.125 7518009.774 7443265.637 7895777.992 8143733.202 15700996.32 14736282.44 10829299.64 9244395.053 8898782.555 10050349.56 7820306.03 7912854.281 17456240.25
1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid 213567.1153 279405.6921 619983.6901 679093.755 334998.7454 345041.1512 1440695.298 1098553.668 269677.152 148771.1481 5808680.017 3980257.385 1059768.641 1162733.911 2263107.65 1998359.998 2824544.018 3095626.419 1062872.534 1208656.116 824023.7617 665945.6448 1122130.706 1218973.509 182872.039 257867.0878 388446.5574 491014.1297 163364.7994 100461.2357 3162024.585 2963032.544 1773983.88 1718526.23 106738663.1 97143716.97 854606.9758 1227150.372 3829654.024 4046105.276 1723844.13 1782832.918 1705795.667 1721323.201 691955.4408 690714.6511 398282.2641 460040.9236 1002690.853 967953.3019 902083.8168 760828.1597 1381993.498 1418389.303 2081837.259 1911227.201 3486243.653 3154088.613 12859096.52 10456450.99 1698455.343 1845590.778 962104.5547 717231.7351 582815.1244 668008.5868 678990.8198 780171.2655 229192.2639 242846.9715 2939223.297 2928608.446 3788681.933 3407775.862 2115198.59 1952408.04 2190388.304 2220241.405 532380.7318 439350.2334 204004.4953 116112.9786 56841.34538 60330.71217 107967.5541 112305.0378 98781.0193 269933.5559 7161237.113 5987982.312 5133145.431 4616055.694 4158984.892 4168565.419 4212240.021 10270901.93
Triisopropanolamine 50123630.08 51532998.69 114672940.4 114172757.6 23352950.42 23283353.11 48755361.8 41732298.35 26704709.89 23917782.44 13427905.52 8701494.832 82417109.94 76106501.56 57355957.51 49571381.37 16904881.47 16248797.45 13545605.68 12987467.34 48373176.1 43647925.96 79804056.74 80375615.28 54535460.88 55671520.9 55615465.64 50376138.59 54762653.84 44959412.43 27793747.06 25580612.29 22412343.49 21738463.11 4817802.428 4303623.626 7651115.144 8891117.078 6841778.009 6458548.234 85796465.68 86658525.29 32772830.18 33785539.49 77570237.62 78704067.88 21679513.19 18852564.17 49442663.86 50181246.17 11673405.62 10417631.29 58020968.88 52812359.36 15746354.02 13807109.91 22433602.21 19297323.35 23177270.55 25880496.08 70488182.15 69741323.69 24039196.4 18514506.9 34326420.76 35100256.97 85658669.38 75583766.26 23388561.96 19976802.49 21681114.7 19578623.33 19292262.34 17329228.48 10678880.16 10025430.74 9778786.85 9685185.839 19678298.86 18097262.96 715437.9853 70680.10099 1800974.115 67007.72818 1326558.508 1247292.473 1222497.692 2160647.705 36589057.5 40369838.55 35588935.9 32059038.51 29703967.89 29116854.09 28282087.89 47620959.36
2908 69939580.49 67765108.83 80379660.67 87315651.72 118163855.6 77658600.18 225991.6907 197408.5249 200722.1603 176760.4533 210857.6861 111556.5214 65623511.41 44704004.97 68267863.01 52149553.76 89350911.68 1007365.746 186526.2751 172533.1212 143021.371 113768.153 55982042.87 47283158.43 137093.1286 130239.4567 141076.2433 134623.9241 281603.1937 236075.1104 52168839.32 51885167.91 158208.4245 168117.4812 446134.3103 323508.7877 220664.7642 235949.3434 191019.2929 220830.574 39129523.71 39809075.16 97764893 69354733.46 134355.3052 134403.5965 189025.8944 125541.3583 80216504.37 83320494.76 182827.1125 155965.3944 124954.9624 126833.5606 81604995.08 152362.4823 272077.2439 269244.0707 398585.0486 526111.0814 237676.1531 259987.0594 64248483.66 97776.37285 60669947.76 66075132.51 151844.3919 158579.8644 253425.4897 195888.546 63424885.9 43378316.14 44774620.98 119734.1253 157046.0725 191517.2364 279656.3844 265810.2727 160700.1257 144544.2425 73499.94246 78418.07952 22884.43606 85693.40538 83550.8402 27966.22944 95117.15843 131018.8233 64271103.52 75825870.82 86224659.93 82986407.52 65263509.57 67887527.24 122502790.4 27686872.06
Apocynin 5449543.133 6226478.955 4514908.378 5607461.188 5234916.901 5158171.958 4743480.702 5243285.81 4800678.556 4939540.958 9399627.747 8702927.182 6837470.899 6003308.402 6100738.708 6096026.387 5808609.927 5084150.966 4990323.981 5376853.06 7949178.402 8675310.529 6011314.131 6817646.244 7187531.89 7520239.697 5085093.624 4683124.763 4647752.059 5237285.263 8559421.741 9399525.307 6077961.815 6752600.464 5424007.219 6129833.735 5030781.691 4914436.195 5372821.991 6066867.289 6243220.981 7368494.519 6458077.056 6260834.846 5550985.2 5679628.568 4239578.589 5644258.698 5663392.058 6347534.616 6863213.216 6404960.704 5235969.594 5017932.82 4970227.448 5422815.323 4711013.595 4970571.138 93344325.31 8502572.477 4480476.195 7105275.872 6010978.787 6899420.26 6808072.751 6670470.052 5914631.613 6660994.593 4495339.271 5125573.688 7949298.074 8075538.496 8152808.813 8491259.019 5956745.449 6084602.742 5325146.038 5381633.961 3095747.658 4786045.629 9503132.06 9329295.905 7317825.899 6456174.423 6583743.151 5634031.742 5965648.667 7682068.007 7105496.24 6541539.117 5978329.205 5773459.816 5162582.855 5110008.803 4834309.949 8164910.94
3b-Hydroxy-5-cholenoic acid 413064.198 452535.0184 271126.8098 304996.5191 236413.6143 281668.0969 180644.5669 134105.4423 14370442.15 12257690.28 880018.2395 485235.8598 361189.8709 358134.8355 1077957.944 960576.9736 210613.8487 191489.0074 25852939.28 24983710.35 86658848.2 66706081.91 292594.8775 228148.7165 186213.5487 160590.1511 17126685.16 17741909.34 502566.7621 488300.5843 1113618.327 942104.2731 300865.5435 356178.069 25641836.63 23235690.54 607194.7319 759038.0482 56324986.92 54653109.72 421077.8625 348576.3649 86232923.95 85111670.62 367947.9477 405187.9524 157167.8325 196055.1414 231702.5604 237362.2279 207661.5778 247976.865 52054117.07 46827522.4 363391.8429 290895.1384 475276.2609 464319.0664 1806790.574 750113.3856 4056542.393 4281690.647 131380.0534 111066.6457 399124.4624 454673.3269 617774.4263 572100.0873 9001643.872 7275372.454 1385503.467 1327959.255 475535.8943 361166.7612 13394572.91 13046574.63 3039314.76 3334113.465 135308.5341 129548.4658 78025.61324 70256.99119 71938.81189 88531.82639 106230.5695 91309.0632 105303.8611 221928.8519 10399387.25 11240206.67 9235770.221 8005332.346 7304361.845 6893525.657 6580472.538 16478319.92
Triethylamine 2608844.309 2337008.07 2435570.554 2232350.205 1945620.714 1693111.582 1478929.213 1538838.036 1645721.808 1256744.484 15896720.07 11885565.38 15732417.41 13748274.32 8222169.188 7659406.227 4290597.408 4162229.448 1982513.771 1863559.366 40605328.37 58876624.65 12462293.7 13253232.74 9971365.439 9488032.101 1994203.55 2001098.133 851548.6131 808548.2692 20821905.12 22941927.92 6532700.656 6567660.169 2547971.976 2262124.524 1060338.641 1557868.493 2069713.543 2390515.195 25135821.69 23228866.49 8500252.805 8361925.643 2081434.684 2320012.456 2036566.598 1890380.609 7373854.621 7140461.681 4610672.933 4023844.557 2126678.179 1881000.851 2789857.791 2041350.948 2412041.647 2056557.674 944875.1353 1149566.149 112798927 185740073.7 10006920.81 6616970.948 3665493.662 3292755.577 3205180.423 3007171.313 2091493.618 1770208.685 23837554.45 24365799.02 72704069.76 81602459.62 5332632.342 4843250.483 191154665.8 183106338.3 49185365.08 41505564.11 474680.6986 2151180.641 229041.1156 298859.6761 58195.07351 96251.19435 75194.62633 83232.51236 1700910.897 3831231.801 787880.1376 333749.8344 891919.4826 798803.7882 676373.7906 872467.1942
miglustat 3260726.597 2858509.361 2949523.094 2116560.6 2983550.147 2327193.917 3281502.277 2820159.729 2531473.408 2168875.998 4539492.525 4651288.022 3848348.231 3310815.199 3674831.802 3483303.686 2975919.135 2872122.905 2926695.813 2868506.31 4847629.915 5108524.943 4041623.681 4058798.379 3564489.862 4145710 3076062.337 2860104.941 2827931.603 2815562.645 5597675.233 5643489.846 3609939.909 3405576.695 3874053.486 2937946.035 2680468.483 2506517.005 3221728.241 2996465.43 3985358.941 3788634.204 5162075.926 3406777.713 4648340.676 3534250.665 4210437.861 3643226.355 2687947.981 2922215.221 3317428.803 3505214.75 2762407.343 2984154.299 2759751.887 2905472.093 2740678.744 3115467.666 103192338 6381056.518 4314320.816 4270511.526 4101296.265 4243972.7 3302912.581 2438077.761 3726475.724 3287361.941 2643621.028 2918407.026 4820314.924 4284304.022 4562139.797 4271138.444 3514952.682 3417051.439 2855180.253 2868582.053 2479141.522 4284392.606 8054525.308 5699152.195 5072500.284 3970436.68 4168239.578 4620386.894 4229998.728 8051175.329 5057685.585 4248898.412 3560010.522 1967153.051 3090817.448 2852672.957 2840063.959 5972100.043
Trolox 5625405.792 5893015.095 4887853.448 4831450.618 4445707.686 4421809.774 4922281.193 4858096.002 4358302.44 4424210.774 7428902.767 8335806.248 6543925.23 7153005.857 6365805.307 6597060.15 5328832.958 5458884.773 5247181.63 4819368.251 8362995.585 8094499.51 7099473.709 7186403.98 6861210.003 7042654.494 4805385.509 5024480.307 4086613.432 4609860.739 7620783.964 7970903.375 6695082.639 7095869.937 5791783.755 6153649.136 4357090.934 4284884.02 4805921.31 4857138.571 7746536.363 7037200.336 5691014.443 5648630.619 5124758.428 5474130.709 4980805.784 4905025.032 5341573.631 5173226.098 6298162.377 6152155.783 4703749.298 4561915.412 4839403.675 4946239.212 4401009.497 4482575.799 105036832.8 8628124.592 7491250.072 8228328.68 5742628.225 6400305.599 6506311.87 6426077.384 6281625.388 6066130.175 2911132.596 4794804.966 9099997.144 8931078.744 7588005.826 7629894.317 5516817.26 5396892.555 6076151.606 5745918.476 4164626.989 4097222.99 11559058.42 9908826.113 8656969.377 7403633.661 6086663.763 5713899.575 5388098.936 10084410.61 5537185.588 7396092.018 6513237.328 5993069.04 4963659.767 4663798.241 4386045.599 8462654.017
Bis(2-butoxyethyl) ether 5721381.327 5612795.638 5224822.995 5426304.181 5657635.748 5152716.023 4855370.095 5452877.968 4678388.224 5144690.633 9853459.084 11532973.89 6589824.343 7245986.414 6596047.354 7607020.759 5120396.667 5596359.356 4833776.988 5244343.935 9841231.928 9902272.635 7160188.361 8044252.741 7112133.634 7465265.139 5230402.758 5369746.154 5170635.537 5377606.764 10425359.48 10411889.66 6474771.984 6806894.696 5991923.565 5468455.317 5535044.516 5670159.945 5339883.403 5618721.005 7011016.451 7309512.216 6758074.725 5725826.677 6303759.354 5722668.054 5690391.044 5448572.148 4953563.387 5163504.028 6049252.972 6284429.013 4765934.557 5101939.805 5235215.576 5489673.647 4454741.547 5331165.988 120666820.1 23833554.46 7427722.558 7449430.823 6672102.35 6886992.537 6106623.092 6340744.273 6380562.294 6731269.358 4867207.997 5335819.803 9526024.351 9830578.949 8846813.88 10645987.63 5799496.935 5682888.3 5094690.887 5364127.307 4798250.569 6013363.894 11967966.95 8698417.443 6368476.656 6006867.181 5919818.918 5711990.771 5399877.509 12617196.22 9716397.064 7693308.738 6444463.411 4529611.644 5191372.96 5618894.875 5551019.769 12151405.22
Valerophenone 5460000.349 5411546.174 5536561.229 5249905.957 4896692.197 4775856.687 5176839.68 5367169.754 5673427.76 5229367.751 6796219.171 6836545.079 5982760.706 6378912.508 6391107.408 6190422.893 5240196.089 5117139.599 5299451.027 5401691.034 6453608.225 6598129.479 6465785.025 6540554.596 6366599.132 6320188.505 4859552.803 5108707.25 5110087.867 4968096.945 6148010.349 6765539.215 6433159.168 6037236.387 5525785.766 5380664.656 4881635.001 4699506.264 5154257.601 5180907.412 6438568.529 6557091.212 4970458.679 5598986.686 4798975.064 5618256.937 5124405.974 4877402.212 5779840.496 5514690.695 6208759.116 5707793.073 4787032.9 4731348.249 5233862.528 5320965.134 5237589.382 5281800.98 108698567 8612213.071 6509221.658 6767046.417 5662868.634 5701273.077 5764805.425 5897252.382 5899388.557 5443812.055 5392400.83 5256056.796 6394840.844 6193612.341 6812581.693 6775995.332 5762172.372 5464553.14 5281751.418 4888580.609 5236956.231 4736748.711 7569237.824 7076325.851 6474053.507 5932129.92 5481762.636 5684177.559 5455936.721 8573603.784 6090407.852 6269638.582 5603197.454 5699819.254 5178309.057 4892630.313 4775029.569 7496865.534
DL-Lactic Acid 9506885.047 8929234.284 11025858.68 11820002.49 12905651.42 17607791.83 27039457.04 22987780.05 21964485.58 15236963.23 22616792.52 17057913.46 25693181.6 27640761.58 28548291.6 22355933.17 19628803.62 20866360.67 24684607.35 23427813.57 27530835.69 21451271.99 23290049.21 24239389.3 26566214.86 24952952.66 13678351.5 20384570.06 35813744.98 29419586.37 24170391.68 22716165.43 17341891.52 29663309.54 35803398.54 38916093.62 22044478.13 31745649.53 16365720.39 21933143.08 17161432.99 17230349.66 32202642.62 31768454.54 19087835.18 19984247.99 21226028.61 19696987.11 10778573.69 10894320.53 26747553.45 22942965.74 27246066.11 24307836.19 11479208.44 16019885.36 25159995.77 20292886.23 52891865.21 51368963.83 89703807.67 94269654.87 17156733.35 15791181.29 29387810.71 31061108.52 28285578.73 25135742.17 22118864.09 21218789.41 30505628.14 28950851.28 40872679.77 36879442.08 23393817.26 22211776.03 46213195.57 34062296.57 19499576.61 17889048.54 219335.6515 67040.1125 69971.23494 65900.27373 56446.61813 58125.29214 72396.55861 106704.412 16028919.98 13905687.23 11080486.93 10724883.58 11432643.7 10579432.2 11804542.3 18329790.16
11-Nitro-1-undecene 8444368.602 7395342.701 5986747.624 6179641.057 7257880.276 6913563.819 8827412.725 7715018.878 5165146.455 5273031.449 7151622.636 8528418.91 9394437.165 10717729.87 7612762.964 7920129.629 4915212.168 4954741.55 5874254.781 5983275.464 13659841.73 13551148.77 10908762.96 11164707.05 8700103.908 8912012.952 7564862.159 8504565.767 8566181.187 7041853.896 8766809.049 9264616.224 12019848.99 11716586.3 10504990.15 9563285.784 6589656.143 6345844.605 5242697.951 6764268.129 7269721.185 8576464.575 7538408.73 8486032.107 5736155.965 6730404.337 6568096.79 5410220.923 6252939.77 6030705.169 7164133.662 6273968.792 7032019.308 6457962.806 6440426.135 7060322.606 5685334.1 6136236.545 95526873.39 16292758.05 19699425.79 23970888.38 11722432.4 11257839.06 9582323.683 10154513.67 6452498.359 6930611.541 17817558.24 13336427.67 12196048.57 12174906.4 18294885.61 16264425.66 8448008.127 7980516.475 8994118.035 7851408.051 12484344.36 13242198.82 8536051.261 9651306.077 8023565.338 7467606.808 7164469.466 7020979.786 6629404.547 12101257.96 9498963.797 9485615.439 8863120.705 7945993.881 7358880.214 8593003.655 7046173.131 11077376.54
Diethylene glycol 777830.7517 738196.2113 926327.1929 1066151.974 767198.146 549595.0666 840714.9691 784176.5123 1082336.524 932445.5481 784070.2048 814204.7692 496541.0843 881683.171 997996.1862 1630638.948 819262.4704 825157.9439 1015080.967 1123817.579 693308.7982 749059.5391 866020.1559 951529.9171 696367.8612 961116.1671 708574.3991 1265859.134 734767.711 791543.6922 894168.2674 1006412.351 753411.0337 881103.0082 1122466.975 1067551.394 761703.2413 695888.7453 720996.2933 666708.2028 746956.1754 1355184.346 830210.1287 882779.1346 741588.1859 812184.4732 703217.3913 982607.6815 740603.7327 676118.2126 863284.8772 887358.8606 621004.6546 786989.4102 856189.7313 794701.9051 669587.4454 689649.5779 941261.0559 1056227.51 898355.5407 1080910.077 807631.0184 1563576.555 773210.8637 1025044.138 1000659.727 1058943.705 925453.5942 1145259.392 888943.8447 1366972.275 809627.8117 998843.5923 997996.9123 979621.948 986919.3565 1048636.206 731041.0943 980935.5908 541921.0749 765264.0209 1464006.364 1644265.633 1807896.252 1621547.165 1626806.495 1952023.873 79346084.93 89394200.15 85287472.58 82266438.1 88541006.36 80197726.63 79458891.47 87567225.49
Gamma-Hydroxybutyric acid 51840379.31 47819988.79 11668599.56 14568312.8 21302680.72 21338161.68 12948152.78 16771027.14 13833631.03 18751119.64 19389802.71 20021535.68 15906505.96 16592733.13 13253818 14128235.34 18983985.91 19153996.21 27310807.66 29538750.65 20103140.53 13707794.68 24926655.83 21112117.45 34498179.13 4310854.375 13754068.57 25981502.82 11278633.78 10320211.29 9651724.054 8389466.911 16657874.37 27372233.15 21662954.47 26327503.07 9198051.559 20788046.74 15669452.38 13381546.05 29867230.72 33432605.27 30250728.11 28533378.78 23655815.62 28339245.91 15494789.22 13688829.52 10011502.29 12252465.25 21743960.09 13790285.99 27036866.89 24651073.66 14804651.07 11691357.81 15461390.88 10712764.17 22811460.69 20491151.46 30236229.21 33652848.58 95131252.64 13978698.9 16921698.03 17195872.31 15021166.41 11599437.62 18826277.82 9638870.227 20243082.26 15453374.26 16603151.26 18362938.36 35428579.83 30048237.32 16429701.03 24411285.24 77777508.11 35261601.75 803568.0477 489530.2463 1174895.476 840275.085 746491.6021 823459.4953 997916.4409 1005823.885 25975064.33 26407868.12 24645484.12 23340768.4 26636309.33 21259739.97 24883295.57 27920244.94
L-Histidine 21255910.73 34227253.53 15671070.4 16542092.59 26923010.36 22450526.93 20397028.15 23866881.38 26140370.72 25588742.49 66336241.73 47538592.43 51388781.11 50061146.04 33125884.24 56684252.81 28635329.41 26645523.5 30530810.85 36307740.8 33214762.63 23233712.75 40963462.38 53773301.57 54434052.73 52523396.78 21859086.12 22486716.16 24961212.75 26680856.91 49604337.06 42345474.06 53511771.26 28541112.64 35580549.7 35058839.25 43450017.16 40012795.65 34828837.58 36909930.06 32517522.85 33408055.33 55263995.38 56588233.46 28984349.53 21591831.29 41331550.66 25536304.96 25046764.75 19390966.58 35565252.88 61866497.72 24476100.38 22061139.94 31917980 32752591.8 38478362.64 39038460.59 82765016.82 82816942.95 55435676.08 52099926.69 49834069.76 46964955.76 49411751.69 24627568.84 28262789.08 16005779.46 40347419.01 34186535.32 58376392.95 57446421.7 46309725.28 53048795.31 33375455.35 63987455.37 38461179.94 83812345.44 41317127.95 41802090.16 74963.95845 860059.5362 1032547.648 879699.4975 947430.4731 225496.9227 1249695.226 2511129.372 38980797.76 38180492.04 35985195.41 41355198.44 21846623.34 29681640.74 29486647.92 61734392.52
D-Lactose monohydrate 3839983.028 3472912.866 7647426.171 7311949.028 5006934.409 4856224.568 6066325.319 6260370.638 2390080.145 2956826.418 6120951.47 6371455.87 6853781.002 6794837.151 8739094.071 8046228.719 5777246.873 6356764.303 5448123.922 4901374.712 6636813.375 6435405.568 4722287.248 5326776.534 3572468.692 3904919.858 5028823.337 3833885.494 6846140.298 6057027.193 9394041.781 9254760.742 5716523.877 5258791.081 8232767.204 7347766.806 2863142.242 2293229.71 4910302.964 4112305.323 7500188.513 7152406.5 8605817.73 7007268.579 91304955.1 96385076.91 4787288.587 4683284.429 9901152.951 10803573.9 5770599.527 4813666.225 4821025.414 5571449.025 7361361.475 8133145.53 6265958.443 5618491.71 27693528.12 28235046.53 20437789.92 18600351.22 3402856.071 4187639.252 11240264.63 11740262.81 12586251.98 12039124.82 3675451.122 3918487.743 12967319.08 11257296.11 12016321.11 12048435.04 4830568.823 5002078.638 12428336.27 14423137.02 2365007.426 3458645.27 185191.5525 71879.8273 55973.67526 59885.59449 62772.36747 70108.84227 83677.09394 180648.4335 11150306.59 10567588.64 7928076.483 7213031.908 7007552.302 6843280.478 6508753.461 18842886.7
Ketamine 644315.3135 783015.7916 7780076.811 8596582.089 1199321.279 772785.1611 1049221.264 793676.7973 2380810.617 2047275.063 719320.5798 410225.2777 795963.114 820992.3816 630073.2988 696418.4789 2023875.839 2041855.594 577176.9006 630348.8963 31196949.75 24362600.46 1349405.947 1431215.529 535619.9153 532522.7295 1868675.433 2109520.356 3153429.065 2640597.593 579668.0421 592734.8885 2539923.623 2381323.842 30683113.16 28955163.57 307104.52 161750.2684 1970115.805 2076208.955 1758657.906 1810577.977 642041.8096 715883.0447 455211.466 537057.0296 1287203.018 1226843.926 1034772.352 1086817.801 573766.1773 555948.0748 93480924.89 89176100.29 256720.8938 530169.3619 632469.3479 622895.8516 587523.1991 1032107.206 7613005.84 7461384.138 1926305.661 1274165.389 16294113.4 14177778.95 190029.8717 431216.3009 6240188.207 5309155.091 169016.4926 270503.5212 1399319.249 1392405.254 1379067.739 1154845.894 419800.1385 571335.2183 35221914.65 32202691.17 62131.60781 28585.17173 22322.91815 22918.56181 18093.81408 25158.55826 16722.74066 43537.69764 15663305.06 14003633.32 13039829.84 11937448.05 11434196.98 11006197.3 10138686.43 19763178.73
Phenylacetylglycine 15398347.59 15628349.93 16434578.2 16038161.21 1300398.48 1316690.866 28382275.48 23133098.57 26591308.55 21434912.11 4090826.277 2473560.732 866257.3097 296735.5595 3091324.189 3037569.782 6180965.449 6207410.247 8200957.64 7850971.851 15713979.95 12922775.46 22792602.19 23408571.71 5766750.839 5721295.057 19841798.88 20433134.67 9948541.046 8018230.302 2722330.748 2509369.913 5612805.302 5486121.033 6222718.553 5794981.688 323379.7472 437210.0737 2621078.053 2778916.951 8705825.641 8834967.517 4847792.631 5337179.666 20603909.47 21629407.79 21887853.9 19789687.04 21786344.77 22622725.27 4720634.77 3788238.247 433554.7231 405677.3561 3747293.623 3340148.411 1248194.166 1044933.862 8100262.636 9377854.063 86014619.86 80400625.07 41416564.3 31978636.02 42683121.99 40574889.86 31356478.59 27164505.12 31087211.42 27153499.5 8637980.731 7481814.516 11963334.75 10297471.69 4131709.778 3981087.579 13145865.54 12980837.78 4627473.702 4122624.648 116635.4117 59549.89419 49889.03545 100587.0592 61054.40414 58291.70538 49931.8863 62784.33987 12687413.03 13415200.99 11452172.1 11198423.23 9968054.48 9416339.191 9624139.808 16516375.98
Indole 44412119.81 42539032.65 37397873.22 37707424.01 30085507.4 32316349.69 49422662.5 41798084.12 40180703.24 32828801 61898246.73 36014790.72 47996830 50517250.19 60102174 57516883.16 56031018.9 56457729.17 61160105.56 60287024.34 40096481.65 34169735.65 47699809.48 50375431.87 31865892.38 29354652.29 42150174.42 42057522.33 44822141.97 38304009.76 53139832 48774157.84 52101059.52 55570864.98 45772677.45 45879748.95 28018174.86 33660641.15 45070614.24 42813530.73 48480107.37 50429269.01 51580671.94 54134001.12 47060271.35 54918734.73 50596933.96 45521073.93 38291739.9 39866398.88 84031098.55 64730882.29 42110348.95 38058482.13 49591712.79 45707875.2 55810070.28 47052450.01 75881088.44 74464656.06 51291093.94 46085349.77 62352168.52 47453645.42 66998189.14 68094030.26 41649799.29 36407586.2 44672481.89 38994374.55 66178009.24 54784509.92 65686811.19 60018077.07 50245658.91 47574493.3 87905054.76 88911310.51 51806533.92 40669742.39 155086.9159 40326.92279 33741.57072 32804.87865 31492.12572 30847.61577 34702.83927 47094.86076 45604756.97 48507107.75 41641373 46952574.01 38842481.05 35536526.9 36604179.56 57352124.96
Bis(4-ethylbenzylidene)sorbitol 21275215.28 20263181.62 24653976.95 22565573.48 35068364.89 38138223.51 47987144.53 40556050.72 49755208.32 44192371.9 50461590.93 26897364.84 53083206.47 48133488.48 46033442.47 34607560.01 37349994.51 37907028.73 32976761.84 32225681.42 48476741.98 31299218.55 50394855.32 46065131.88 22787501.31 23149516.87 32779378.47 33273506.58 30434795.77 26481125.59 50969900.53 40072836.92 43644163.14 40807547.18 41640900.56 35557051.12 27613640.87 34492234.85 42409714.33 42819940.14 36942228.51 32012137.58 35433396.28 27686087.82 39898912.93 31521227.42 39756966.77 34152446.09 14354424.16 13750352.84 29636214.21 24470769.42 38151451.5 36660953.31 45134594.35 39889884.36 25746673.36 21973413.13 135374268.9 119580086.1 38742984.93 43036923.18 35876220.4 25424419.44 45678514.82 46049742.44 27597785.2 25754473.78 21922522.96 17616189.18 39605840.64 34545744.55 54396304.42 44717630.84 30825374.64 30392778 35589507.03 32855851.54 35914609.74 36289496.22 102296.8358 97436.89702 94301.85441 123643.8394 146276.5567 166026.2819 189645.1999 427833.9746 48224245.59 39256426.25 29072913.23 23273326.15 23875667.95 26517530 26661934.04 74501597.96
2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine 8881576.262 6960486.472 27712665.35 11413717.3 11985149.96 19001443.63 9191895.278 11941071.88 10782711.32 25775234.97 1092012.88 18602842.84 7623555.894 5322067.188 19351464.05 19550011.92 6683809.347 10995687.28 2319362.229 12175712.29 2761428.744 4889014.942 13853965.19 6267839.812 2851112.139 11185707.26 10457828.36 13872216.02 5235123.795 13849994.52 6536547.905 10468578.62 6854347.671 21637684.34 11061629.32 19214468.71 89583522.2 13909177.95 21307123.38 18421343.56 16589556.67 4018120.13 8427434.81 7709478.036 6333836.902 7390111.539 4455160.002 4016741.602 18346681.44 16193367.58 9247079.737 12718573.26 5712170.354 12404002.36 6640181.208 5127832.712 16618402.13 12374404.24 26774724.37 7154130.339 7341681.153 27851902.36 5092449.913 21100732.47 5227892.615 5292950.971 7147483.463 9333940.068 11512960.31 8162540.366 2993784.04 2000783.413 1629715.605 6353702.043 3587620.379 6050131.657 12033620.57 6211556.928 8740311.11 8602452.449 11194290.78 7320950.631 7853281.712 25810494.81 16494117.3 17609740.42 10071107.36 13559719.89 10239127.7 13568199.05 10920960.35 5574951.693 8540824.027 15685357.06 7940728.537 11840778.98
4-Hydroxybenzaldehyde 21878714.93 19371277.28 31975940.37 28808344.81 30845153.55 22474941.37 36496477.46 33651278.35 30378903.08 27933758.53 97019633.72 65642987.62 72297711.43 70859484.36 75732251.29 66893176.18 66842404.23 63097031.57 61550684.86 55217870.8 71598719.23 53161703.11 57741885.65 13874368.84 57262504.19 56904663.04 43518525.56 41897183.78 38738393.14 35788854.06 118106651.2 104464021.6 64620713.13 63534472.05 69523695.72 64975438.06 30294972.64 38851895.91 30902378.38 30338053.02 16093334.24 71458096.68 82803143.13 46610537.83 40654403.75 41298244.96 47753656.71 43313969.33 23410399.29 18047718.3 89550051.04 78010967.21 47880845.98 43551889.37 35711225.06 33734787.85 38100856.18 34186608.5 48273273.89 54557431.07 144210163.4 127434370.8 74316962.58 77121504.59 66092879.51 40864544.18 53315975.25 47480407.44 32332759.33 29759092.53 110989295 118369753.6 99973676.7 95574777.06 52858720.27 46278948.45 86546093.34 83247635.99 49960927.53 42400318.68 379082.1103 69927.109 477729.5835 527895.7349 403506.8875 344562.2551 23932.42362 36391.2301 39048973.96 41320329.25 22736175.8 27415945.33 21117495.22 20251965.6 30006714.01 36326561.08
Bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) (1S,4S)-1-phenyl-1,2,3,4-tetrahydro-1,4-naphthalenedicarboxylate 29475830.01 22231271.23 21930964.66 21027436.93 19165186.35 20739445.19 33816425.52 28573141.59 24165239.2 20620902.94 42612251.12 26154259.96 39139423.9 34893699.56 44004965.64 36401649.39 33606267.38 33310509.35 32615620.43 31929756.83 30808015.23 24498148 46345930.32 47840390.2 20705030.15 18066555.34 30029844.31 29587139.87 25712222.15 20468855.41 46821422.22 38758646.74 47116948.45 44555407.61 48592388.14 52096689.72 15988201.43 21216878.21 20138961.12 18228890.49 39098031.24 32294032.38 26815909.73 29854018.09 28113345.88 30078990.59 24940776.95 27800076.2 26457152.77 23862933.48 38973437.18 33018188.98 24734857.94 24247021.03 25785153.96 21723676.44 28816060.79 24593616.14 74558092.91 66949096.95 48815829.35 45075283.9 40191908.85 27178587.8 30760486.82 35204520.68 33581759.58 25538935.63 24495393.86 21071073.38 64767534.13 45962471.67 55249020.63 35829212.77 24221561.33 22242600.31 25703690.71 30564420.8 26338046.85 17202647.31 107636.8882 111345.8911 127115.6098 155865.1296 172672.9198 161502.0988 179752.708 358109.9604 40877684.37 39896683.82 31715050.45 28742920.43 24483257.5 23475305.37 20434994.39 69811175.74
CYCLO(-SER-TYR) 12577132.22 12536873.04 12632208.67 12006188.55 15294247.3 16437255.21 7738722.874 6668189.074 10221751.32 8772912.448 5418695.419 3031195.037 6418666.13 7133129.456 5581008.807 5516169.8 3224511.645 3183795.021 4743797.426 4550447.496 5711289.806 4686067.372 7160222.506 7263204.154 7393102.69 27682841.59 11383981.31 11333981.93 12065736.2 10156255.88 4905557.573 4553866.962 2441352.749 2814130.467 3433093.064 3831301.261 3459228.261 4355135.428 2194297.23 2104714.835 25317086.15 25021976.95 19672445.43 23685768.41 8501684.047 10043713.68 36616819.44 32682551.13 27800418.3 28805732.62 17980442.85 13592398.66 4517833.98 4491150.553 3555273.655 3070142.727 5147017.955 4391064.967 18511051.04 22441904.03 46146612.71 43950148.66 76304903.8 59818514.35 23571641.12 22133318.27 45852299.32 39542312.66 43440136.76 36021604.81 22616427.92 19452717.91 7757927.229 7061664.506 7804367.714 7769788.32 14621745.24 15021843.9 10994328.9 8925975.057 415526.2393 304782.7747 31035.5036 312416.6426 306343.1179 32035.04965 316386.1577 605517.2504 16119815.2 15505581.44 13606335.81 14991729.02 12465054.33 11347866.9 10798075.58 21499951.6
Corticosterone 11131465.1 11557636.02 8193040.988 8275587.224 8097188.861 7741065.733 14091299.51 11625407.79 2484865.334 1878161.02 5961961.837 3772393.38 16543902.65 16093217.44 6897206.438 5919484.246 20881075.79 20298078.03 5630626.627 5296286.578 42047258.22 34167185.5 11321330.27 10800001.52 18588416.71 19357002.98 6159480.612 6607219.891 3213035.485 2353065.825 5966873.401 5411144.31 14931500.1 13641365.61 3929302.597 3745195.697 3393127.05 4129293.531 33308947.4 33235331.42 12944048.97 11947051.86 10493436.68 11403563.76 6917440.115 6971716.284 12709836.73 10390456.05 9292933.346 9455243.574 13714264.5 10973761.12 25083004.15 22563639.73 7643765.558 6275897.233 24348603.9 22017335.58 63402892.22 69827594.1 39931285.8 39027945.73 5559392.616 4299859.723 4520068.834 4392454.474 10715062.51 9709726.326 17781227.81 15406937.1 67801058.77 63946144.08 6855134.001 6665411.999 18324343.07 17102080.76 24087617.89 25184843.59 3718002.39 2896325.721 46659.30046 33841.30389 38514.89821 43614.98692 53103.09011 40805.37403 47637.52166 115842.1912 16091426.7 15968578.4 13221736.2 12509937.75 11291311.7 10502265.39 10350391.31 23098639.61
N-Desmethyltramadol 6532114.178 6737785.227 7618549.405 7272121.117 4677743.009 4017309.062 15052262.06 11699573.46 6779414.389 6605958.802 6811214.388 4566155.826 7779932.665 6630728.894 10546471.06 9478273.494 7767453.11 9202055.249 9991029.583 10486791.42 12109569.37 7308967.62 8087166.81 8683483.694 13449533.79 12537607.14 7203274.984 7357225.709 9288444.53 7038339.223 5422918.503 6712795.377 13632508.94 13198094.97 16294442.63 11527128.97 3190139.351 3227716.073 3764918.696 3955206.696 8129933.608 8129073.148 7319959.653 6142334.396 7014298.014 5682313.402 7538833.624 6428319.332 11176978.07 10512231.57 8891280.531 7073872.806 6419266.742 5189260.615 7743830.676 7442562.5 5814368.86 5442023.3 15599950.61 14896803.09 78546022.43 70130789.68 9918754.793 8554637.23 13440494.59 15480384.9 6133016.358 7995631.165 46482401.14 38874745.78 10421943.43 9354891.731 10802830.3 8835432.288 12260582.56 11632992.02 6712507.627 6399825.115 11639047.2 18927999.3 2025304.63 3083844.927 3435462.616 2930221.415 2741404.604 3710885.907 2976368.226 6472741.559 11973213.75 15797831.45 13204413.01 11079693.01 12581142.57 10137925.19 11860582.43 15764001.41
5-Phenylvaleric acid 5228340.153 4261297.037 4464936.104 4621060.948 4190860.992 4271223.143 4266585.477 4334014.359 4578469.611 4640288.251 5709481.846 5965753.373 4411942.893 4539153.716 4589527.458 4808887.373 4239778.188 4234490.693 4382243.781 4446321.504 5338626.981 5630182.902 4552509.987 5015482.134 4847886.829 5087490.211 3866245.694 4042366.339 4088941.016 4568027.39 5348240.375 5602404.417 4681045.372 4601464.254 4753071.488 4386590.179 4152875.933 4133141.791 4427736.67 4910957.567 4739481.663 4655642.954 4756218.792 4375413.416 4415713.455 4427017.802 4305136.543 4133905.88 4360003.031 4067115.372 4631822.358 4383744.548 4238223.835 4324647.988 4500538.385 4347058.462 4578131.088 4287251.254 90269380.55 9222370.107 5507584.837 5595793.9 5020906.25 4654310.752 4558619.695 4861163.238 4288727.23 4472433.031 4291592.449 4386322.5 5511653.89 5182055.629 5429050.739 5551092.331 4357928.308 4127267.54 4606437.473 4165166.076 3991191.647 3818876.05 6544605.389 5350333.223 4494838.634 4561283.714 4795810.458 4641444.701 4817524.332 8197896.789 6608198.002 4811192.656 4407392.463 4265526.127 4269622.201 4142440.988 4006793.856 7567986.823
4-Methyleneglutamine 32134870.16 18820635.07 15436610.01 25745936.98 26188987.25 26111426.07 38349228.81 36073749.28 34663135.47 37511276.68 37457913.15 38599629.06 35320549.71 30567017.1 27669344.51 28207270.53 30258206.41 35738854.36 42698739.22 44422330 25072468.28 26636766.45 30710496.79 31784300.48 49770517.32 43179674.61 34219427.09 34562412.67 38365495.93 31352625.89 27061792.09 28683938.32 31359655.4 31217767.76 39449938.24 37643970.24 26313971.97 28126280.63 16186318.89 19002159.26 33693453.73 38062923.04 50774755.79 59107085.86 40750787.69 41328978.86 42828569.5 46237022.1 33405271.89 31844561.37 49755692.99 48049839.46 21675535.84 27665713.61 25317961.35 27812041.5 28512932.7 25015269.91 68003190.86 55836829.83 64872902.16 65703919.33 59941974.9 59930961.76 40851043.89 43898524.44 29186567.41 31839225.74 36365251.99 38936047.26 32956124.59 32778083.47 36367552.71 35630562.89 28346439.03 27406965.4 43662746.26 49826905.94 32865736 35506018.91 882014.9517 184842.3766 808883.0772 370156.6237 194359.1609 370916.5037 451418.4145 740326.1779 38434189.61 37149272.5 31794953.69 30963504.04 31514489.56 26458669.26 27099685.54 51920467.17
Tetramethylurea 368142.9615 349492.052 614596.0423 552016.1653 278157.5785 283871.9152 403679.0483 314937.4355 1142499.712 990212.1864 1279141.047 683791.1166 329921.2571 383316.6057 1207238.047 1108599.415 754728.0172 913274.789 1701666.973 1583132.125 394095.7967 292599.6985 486387.8957 521756.1106 504384.5006 435461.3903 373984.5405 450603.6243 342639.3546 378423.7386 1082158.687 910102.2133 368248.7908 293870.3159 1116753.406 1000978.963 381731.5424 509270.0558 497619.7298 487474.8593 314696.9698 351137.8072 383110.2041 407246.5499 274551.2822 347132.6092 316775.6605 322983.9347 401776.4228 531888.2533 1512280.16 1225901.682 315472.8736 324551.1427 570870.77 618296.5862 732395.8183 623306.1741 1073546.614 1112224.849 652620.0025 627129.2439 555889.2997 399617.4944 831431.8512 824540.0489 1032339.157 976637.2266 1026829.323 943288.1818 1839882.886 1695636.258 764690.9223 707083.5769 1400124.353 1610876.363 1428782.836 1438687.5 428453.6896 359329.5627 147718.5246 101184.9754 102042.781 35639.00538 95227.25833 110496.008 99630.83992 159645.7911 69687625.95 70668235.69 66289441.24 67996405.47 64442125.17 61463069.31 60580775.37 78800812.36
Traumatin 42715199.69 43805310.65 45230302.5 46254295.54 38013075.15 39500590.35 44344944.31 37492172.45 46676782.3 36812164.28 69108305.1 38045558.45 44142416.51 51457052.28 52773990.08 47782230.42 46536442.11 46810644.62 45683953.57 42001647.56 12168722.72 10738802.82 10646418.48 10369716.87 10391313.83 10787882.75 7954476.945 8368214.762 9263039.041 7863180.763 12188846.11 10848820.07 11487018.8 10531332.1 10409071.35 9308759.398 7519331.121 9198970.079 9249950.919 9772437.696 49400977.09 50577052.57 42167966.51 43015502.05 42765597.17 42896787.72 42453261.39 40801697.92 42528015.91 40173048.38 50069514.03 39879723.24 43123220.83 38697329.92 36748807.83 33142505.16 43003809.54 36371000.76 87228142.7 80482879.67 11008887.72 11165492.12 9234673.115 7030450.994 10035507.66 10438286.27 9936329.586 9716094.368 8972059.549 7709816.47 11269877.35 11244690.11 12821373.24 11286168.8 9223179.566 8699753.965 9222459.668 9768407.044 8806352.704 6534783.748 5488167.708 8982618.336 7564785.618 7760061.456 7009070.023 6790545.572 7102059.85 12432595.14 34666218.73 29336437.39 25546760.18 24715352.69 23214929.8 23073981.24 21665476.12 42987069.15
Docosahexaenoic acid ethyl ester 49483.58196 97962.16524 77670.62517 51161.41484 59452.10449 50832.77457 51430.19118 47505.62133 9589277.681 8147136.728 2879606.01 4531350.685 55452.84687 63333.91962 81168.16002 89297.98877 65358.75536 120902.6784 18574508.47 17887136.61 67721986.14 51480892.69 3778233.175 4061720.616 77711.26519 67630.1942 12057632.27 12559246.21 57432.76569 49798.48248 147863.9983 71348.72122 4134159.317 4008925.129 19193403.91 17262459.29 64687.02036 69216.78128 36989052.95 38032400.17 110114.0437 76261.29563 63989656.03 62885258.31 89422.46517 66815.44695 50014.22221 51119.47165 52333.56485 56823.79389 68948.86878 56297.57562 36729109.99 32916561.47 52492.47847 67231.92818 62211.965 61626.53181 400188.6463 351172.9955 9294739.334 9223820.481 69144.86954 41474.85706 105731.2253 51721.43246 93427.78029 52908.65721 6235724.969 5089620.697 3458167.321 128448.133 5500502.476 4003261.385 9876545.369 9668490.734 5697450.23 5560256.806 98236.39785 48377.42072 40981.47023 36710.60517 36763.71014 43188.47856 48096.78754 41134.26799 50137.64349 86819.81084 7603160.869 8610450.177 180009.6912 4909008.15 5245258.898 4789067.238 51802.97402 10254907.23
Panthenol 6145808.602 5381642.575 6070377.044 5197996.844 5612927.182 5086217.58 5711079.186 6070710.011 5651439.495 5208463.245 8440502.51 10967535.93 7394185.264 6988275.004 5889504.944 5766128.469 5277604.311 4941694.278 4893595.185 4900223.03 7986694.356 8691367.625 7839202.741 7749806.203 6162278.823 7673662.732 6119266.176 5987302.257 5319026.777 6239793.457 10921966.32 10173389.15 6474426.196 6141812.555 5188015.395 4497399.77 5558162.464 5295764.965 5410947.403 6080199.804 7650556.27 7005116.776 11517237.7 6786384.282 8745383.183 6061940.962 7175885.406 7383832.236 5763069.046 6134952.487 5565375.898 6177931.906 6453728.869 6280020.916 4787449.332 5204491.607 4541609.869 6010678.14 79708802.49 14077248.86 7479289.528 7515347.784 7937758.26 7661788.303 5672561.614 5696316.056 5664353.758 5608043.916 5678394.362 5648086.351 8870991.828 7516957.074 6942171.853 7576552.302 5974614.333 4894919.588 5206691.55 4923036.011 4598677.536 8892415.646 18168372.06 12703639.09 12774142.41 10280014.69 10290274.8 11267480 9477635.242 20720124.43 9421249.961 8399363.634 7562440.777 1213801.173 6198606.29 5919479.587 6125495.912 11963091.68
4-Indolecarbaldehyde 37935468.24 37254933.62 32968955.17 32823926.52 27683049.8 29091011.97 42357290.74 35319778.88 34471834.52 29382241.5 51018280.7 32129325.02 40426475.83 42064803.63 51775012.64 45868205.3 47381461.86 45161071.14 48777539.4 49595596.49 35101731.44 29675179.79 40180419.09 40572794.75 26856403.67 27181606.5 37314416.68 36934189.69 38304918.95 33899856.89 44556138.14 41955803.95 45020922.79 45864344.02 40187927.05 39594109.35 24654161.23 30329357.93 39442023.2 38470999.59 41706908.59 41387807.64 42336742.83 43243379.33 38935114.82 44856517.02 41836918.82 38260188.1 33054340.17 34878301.15 66252770.57 53011632.75 35805993.08 33674474.49 43131181.61 40002434.82 45738447.34 41241393.21 62494023.12 65491264.77 44225048.44 39546139.98 48097770.25 39007042.13 54761808.28 58311366.93 37813726.45 30467387.62 38844726.99 33810957.05 55800172.7 46084437.54 54896026.38 50259665.02 41790987.74 40171839.13 74216695.61 74748618.3 43193961.74 35026827.85 81025.15655 27677.20356 48497.41443 17293.92495 51203.67447 55656.5185 51028.68302 25150.04252 39163430.12 40376217.94 38597529.96 41953451.29 33389935.81 32814871.52 32914548.02 47889575.49
Uric acid 77240747.35 24934430.55 8871469.01 10053357.28 1267950.183 67241132.56 1983986.422 2212092.435 84008194.34 1624257.535 4261261.801 959820.552 1729790.356 5011565.958 3975882.892 1304839.202 1962463.846 1558405.466 1394984.769 692484.1788 659748.969 434113.0596 2926560.544 4104694.801 1020227.967 1144819.869 975356.6695 1751773.45 648853.0457 1298864.065 749971.1755 4242561.998 5071742.366 4733455.708 796426.0338 1689237.134 1894991.272 1083226.66 2157241.484 966696.325 2587567.776 1485274.334 2957703.332 239937.2971 1249203.197 2265004.615 856868.8055 1332069.214 14885434.39 17802214.5 1420017.524 1250948.39 2215106.126 3265614.93 1139623.671 32293967.16 5701383.432 2120115.639 894149.532 925247.8609 4074283.422 3195027.007 831403.6143 1745121.007 2162361.885 418000.4829 347154.7481 837951.4375 774683.4061 1129045.88 2744450.075 1189729.373 3816630.631 9633920.671 1267143.649 1505783.869 1396555.038 846552.4965 1725229.179 2513308.579 113197.4777 28235.6212 25507.14823 25957.48589 27115.84846 29693.33604 32880.15598 60332.85098 25784763.86 34111969.96 16290998.86 15712039.18 9249132.718 1773812.277 38963771.2 5631707.711
1872050 2740032.625 2702432.651 1838099.898 1845798.451 35573856.86 37480160.3 3039561.875 1644809.456 1690282.404 1510116.427 3947219.309 2735571.211 45993616.06 42689306.3 12382734.31 11672625.57 1095300.927 1245932.584 1747829.319 1478409.364 3832858 4856610.609 4752960.119 4935492.183 2258870.686 2436324.952 19654468.19 20097442.49 1973026.371 1748596.183 2261140.931 2064226.314 7353864.102 5201974.64 2192032.449 1999114.604 16193134.55 19763667.47 1957231.555 2149807.334 2877242.167 3111763.007 28371961.73 28152878.44 1480144.291 1404744.586 3598479.658 2143189.787 1776966.436 2097494.865 1955798.228 1796714.207 23010193.05 21109982.31 4427566.131 3763163.079 2393606.443 2131189.428 80736210.3 10024898.2 5298061.09 5470786.139 44424500.5 32676517.13 2479376.551 2770105.324 1714494.983 1575858.046 3590875.662 3287067.52 21001031.71 18402133.33 11764694.2 10443189.24 3627696.161 2191806.814 7298063.358 7157068.429 14733912.2 11432052.49 651216.3404 925321.708 1004402.963 762204.1849 865152.2 900742.3423 940667.0688 8121353.845 9238490.278 8738856.814 7626603.978 7335128.902 6573882.889 6229039.287 6208817.885 12158256.74
1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone 2401403.527 4784682.142 3704364.135 3916109.578 3740402.282 3491875.723 3615666.813 3492356.057 1757346.704 1854721.522 3716921.571 3713205.584 5537852.006 2997541.152 4815657.054 5314788.396 2442625.534 4163187.268 3743344.998 4256111.836 6597056.617 6587082.896 5979749.728 6097615.904 5718406.037 4045212.899 3577563.408 3737717.345 1943166.738 3602002.886 3566274.522 4083916.096 5489238.217 5225537.01 4495527.079 4726582.818 3483664.178 3187674.205 3517551.228 3629310.037 3131478.355 6347463.451 4527259.3 5488394.079 4012376.057 4632948.286 3728488.603 3730791.264 4257196.122 2800361.34 4601670.663 4901523.545 3792279.911 3806888.897 3060420.384 3381792.53 3079917.471 3416199.104 63859384.91 6235893.48 3676182.212 4276369.008 2784664.574 5377211.202 4851847.117 5361587.94 3037341.896 5063564.345 3470046.915 3557203.324 3517739.919 3677743.552 3733866.214 3705797.929 2363908.715 2530386.109 4331635.496 4382877.45 3380239.09 1834386.099 5632959.93 4798064.319 3736653.456 2905524.319 2431351.087 2410951.412 2022065.693 4518829.153 4648555.056 3766314.8 5522841.064 2899493.05 2390590.884 2094999.915 3518753.3 6019965.055
L-(+)-Citrulline 28234655.16 14395155.17 12167669.94 21650150.67 23353128.78 23089275.08 34547774.53 31120162.49 29270974.43 31373389.47 32002691.23 33041526.46 32102046.93 26501929.53 24026495.35 25192883.11 26390191.89 31080608.98 37113837.57 39771357.09 22313801.81 23635598.93 27786377.24 27426824.29 44012838.58 37541186.51 29889239.68 29404512.87 34013651.64 27081455.22 23646860.13 24630799.15 28222115.81 28406941.28 35100666.08 33051323.24 22606011.41 24820309.14 14350139.58 16873042.56 31242718.83 33603520.37 43708288.15 52270573.79 34566954.37 36414670.01 39533532.74 39361669.48 28714595.84 27481149.5 43626975.58 41128595.25 19278112.58 25846061.62 21976286.71 24440940.83 24777646.07 21487806.85 58767669.76 49721135.19 56482944.34 55955401.94 53142505.65 52726766.87 35907892.51 39125473.66 25313300.5 27499781.12 31323800.03 33424252.48 28718087.94 28935500.55 32047864.51 31805080.77 25174143.73 24041787.43 36480666.55 43429344.83 28662207.31 30893369.63 147228.17 51261.57722 97808.34434 109310.6302 160466.2207 109097.1226 392617.4659 689723.6599 33807884.94 32250829.54 27579337.83 26715433.32 27792886.36 21868386.43 22669453.16 46526666.31
alpha-Ketoglutaric acid 10620481.47 9702430.991 21087112.88 18537752.81 20190172.64 9937119.606 50492043.8 46731424.48 37908169.73 35293808.14 17024448.89 8448319.902 17260944.87 17948017.62 18792023.6 17776369.23 21261937.28 23132458.33 30339887.75 29421406.85 16977026.64 14357732.69 13837536.78 15063376.24 10114888.57 10826426.82 23254180.71 20851626.38 22239812.99 21896453.89 14284135.52 15556309.08 20884910.41 20530312.02 28677646.57 27889218.67 12278451.48 15035403.04 16796724.76 17821802.12 30194165.91 29629494.66 14581969.74 14699113.14 21178653.76 27362483.72 46862110.14 43887155.23 22275093.77 32503328.41 35705932.43 31469156.66 17243778.22 19644671.36 14566252.09 20458642.18 26533018.38 15765001.19 35698685.81 56629347.43 34661890.85 28787774.84 54967152.11 55822910.41 46298024.1 47184353.19 39432647.41 36283314.07 30244604.09 25816307.16 20283811.55 22098080.14 31919355.99 25998848.65 18828183.45 22185204.12 26621233.92 27042607.35 24004541.88 21695876.19 201120.8427 69836.54337 69619.43115 58134.73825 66654.29886 62975.66266 64362.8949 128695.6891 14742426.09 16645362.4 14271003.61 13850155.48 13045409.85 13003317.92 12645384.59 19179374.14
SL7524000 813038.2035 943450.0802 515778.0244 586050.6438 49460047.29 52478479.72 185843.0915 462845.3858 1128786.361 885783.2947 552883.0378 481623.2154 60965837.83 65602798.52 9881066.79 9397424.036 133859.0182 337214.8338 849897.9938 825787.256 871700.3105 722662.8475 520312.246 535116.8238 617401.5536 733933.7235 26148236.01 26841441.81 257095.5277 249498.1697 601354.9674 701446.5369 506626.5307 420828.5854 460734.5218 201557.1489 17144359.01 20821896.47 445754.9346 484481.1225 713656.2866 843951.0449 30192839.61 31223967.81 556989.3721 190690.8641 614925.4559 500511.6953 700309.4738 375039.2536 429579.1551 419853.6814 23999439.62 23168312.06 589289.9787 627975.5859 371420.046 409756.3256 1070467.089 296835.603 457163.4373 571240.2088 64712197 47316241.7 450621.4574 307671.4403 996867.3586 887178.7924 1119695.466 987627.1524 18791833.76 16234317.59 1076936.876 1218747.816 414062.0914 726945.8371 6034159.888 6094056.973 14920571.07 13567093.77 454892.9067 380008.017 363610.0867 431578.2761 470843.7743 483515.5683 428880.9731 287009.4515 8216632.887 8251635.013 7674229.145 8298647.791 7400133.61 6908628.255 6826932.109 9515634.843
10-Undecenoic acid 3969502.227 3330801.002 3628664.999 3023383.718 3348843.954 3044081.248 3906787.357 3484457.926 3995758.371 3431078.494 4061563.738 3723700.683 3510217.184 3177500.415 5512149.995 5240961.619 3782129.364 3340674.572 3395837.214 3412397.834 3890357.641 4374745.416 4168250.972 3737284.975 3704445.329 4758658.993 3088585.669 3177859.712 3734387.092 3501364.797 5410725.356 4250126.828 4187885.963 3915976.535 5368054.747 3333262.348 3631926.328 3335614.308 3317804.735 3548180.07 3754663.3 3584435.819 3343035.314 3207382.186 3204174.301 3401567.68 3064916.961 3782792.444 3397895.628 2989077.865 3931132.651 3706576.439 2999394.722 3407594.576 3519056.456 3638901.488 3537493.755 3860467.29 90001930.67 9810803.373 3768577.945 3660207.531 3242105.818 2981362.115 3603048.015 4294787.532 5660805.778 3368232.901 3271581.721 3413458.861 3333990.542 4016934.38 4261560.437 4338153.212 4716797.58 4770902.283 4600536.083 4762439.547 3386176.813 2978773.35 3602188.581 4687551.485 4792049.236 4515776.287 4439886.708 3667373.361 4041152.787 9736607.148 5369071.203 5989401.982 5247648.596 4685579.792 5348358.995 5154519.893 3606706.461 7450224.991
Lauramide 9659053.346 9388582.027 7979956.529 8572710.793 20255140.25 21971445.28 7456547.528 7606446.434 7134992.713 6747486.98 13910449.37 10360051.11 17497877.96 15576933.12 19111401.17 16679949.64 7331275.351 7669684.555 7441744.877 7734906.531 17429842.72 14333620.36 11028753.02 10374702.87 8952355.428 8603695.913 15931434.88 14051391.62 15626851.8 12359560.85 11691259.52 12788088.82 9351008.839 9184508.367 9209392.895 9284803.707 10459204.57 13019021.11 8700367.808 8713451.886 10436548.48 9288673.856 12742640.73 13951833.42 5977365.578 7013135.358 6472914.558 6670811.969 7111488.116 6175380.817 7725088.046 7766191.08 12834765.98 11976887.64 7661473.449 7729657.587 11707699.28 11509804.81 86677266.49 20752618.57 12413128.89 12519533.73 23740371.39 15774571.39 10699397.5 10856156.22 7969217.598 7492286.43 17720508.1 16160994.47 20491514.57 17941600.13 16059081.97 13780470.64 8582536.836 9227276.769 7424352.704 7635593.079 22210003.24 14131740.41 6803428.615 7110400.049 6141554.028 5521009.766 4925903.8 4929612.62 5111706.673 11091815.18 14839070.25 12809818.53 10855722.69 10710088.27 9408715.439 9914302.788 8991670.708 20606032.49
NP-001445 2615686.833 2800765.332 15948260.72 17621229.49 9013419.668 8975017.258 1600091.979 1224530.597 11170925.93 9344828.573 44921616.57 26996635.87 20029873.28 22485297.4 4454555.322 4003991.953 3783636.259 3746969.775 10561959.76 10871253.57 8709881.054 6532602.253 2171605.93 2245020.65 7008909.008 7981089.949 15120284.86 12912357.09 20646785.84 15494827.32 5520170.582 3990427.387 2153797.422 2273297.614 11326960.86 9871435.336 6522328.376 9980237.031 52625112.72 54883444.89 15614468.31 15218992.98 26590120.88 16995843.94 2608285.671 2092547.192 15220704.74 14280566.91 11168226.59 11135679.59 19608496.91 13825410.93 12750739.85 11953546.51 1940718.428 1512459.48 39390303.54 29464789.63 2261140.619 5994502.668 53218251.51 50981500.68 11916087.6 8702307.532 1715889.803 1658549.831 27509420.99 24483906.1 4897482.802 3824454.292 4550912.652 3872846.211 5137987.353 4460677.23 35212180.76 34803861.26 13635199.54 11886295.72 3221504.291 25001751.39 90583.78295 126457.4499 100331.7805 78514.09128 54064.60192 108298.1398 67843.32399 228738.5124 14356210.93 13792793.72 13871406.53 9645787.042 10528051.9 8175727.863 10119760.89 20494452.54
Diisopropyl phthalate 3456455.659 3114271.185 2834447.667 3190481.21 2784943.751 2858747.955 2865712.338 2932868.406 2860378.706 3122689.819 4534826.285 5275328.681 3129956.575 3298762.023 3298426.182 3254451.09 2797917.72 2849130.72 2585988.524 2999248.065 5036428.541 4911970.391 3143415.157 3717850.712 3606069.876 4386746.819 2556087.027 2596928.052 2820588.958 2914705.96 4214632.097 4575916.297 3569463.139 3262348.664 3100473.833 2699398.506 3132454.386 3032303.316 2946063.914 3198291.077 3625017.754 3409447.569 3298839.662 3244835.985 2758162.239 3237144.575 2729974.142 2728043.021 3111682.911 2918559.234 2882808.659 3202082.147 2673626.635 2704605.421 2901727.999 3027325.781 2696201.905 2993698.622 81300049.73 6713290.351 3221036.524 4035976.609 3454987.307 3467758.022 3082559.113 3047833.656 3595886.234 3457888.866 2728281.005 2998888.472 3939616.248 4802477.677 4066896.86 5092934.002 2884769.196 3208921.003 2907185.409 2907962.609 2564415.081 2642270.668 7197619.409 4720530.403 3363433.366 3327431.617 3207927.101 2952412.421 3437864.957 7720782.302 5066299.908 3566185.238 3099076.317 3007625.79 2874956.75 2770895.819 2775854.007 6606842.407
Dipropylene glycol 14121823.46 13431073.79 23894817.57 16391050.15 1909331.932 16786555.41 13319574.9 13000796.12 1617619.312 4457640.172 16878942.4 14050728.68 3664236.824 13698335.51 1542244.421 8984465.099 19980500.18 18443813.89 13677561.55 11322741.52 5645650.933 17033872.64 4078731.208 4778997.541 13021331.21 18115388.72 10058543.82 11147591.54 4385717.699 17236804.89 5404360.569 5221994.779 4269615.471 18247578.7 20984205.83 16992346.74 10692400.49 12527957.11 4314106.071 5087155.305 4117707.107 4158494.56 4363780.145 20358322.62 17885905.88 12555265.64 15922662.98 17017287.04 19727170.96 20388343.11 16274909.75 13777038.35 17521586.67 19995620.81 15550717.61 16519423.65 1984095.667 2236459.604 85609247.41 62494463.47 5750231.535 1693947.893 15961360.43 13674317.2 4835491.236 4699027.891 24721998.97 19507435.61 14324052.69 3726718.04 4711683.451 6983109.846 20410432.94 5120343.753 17963296.05 15625229.97 10835284.39 16365705.98 11869021.42 11194059.5 2400994.991 1403331.806 7797605.671 8412940.817 11797715.07 15235372.77 16354349.89 23440462.43 13326743.2 10845138.89 14040153.33 7672339.655 8893207.976 9938285.308 10436273.69 17445659.57
3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one 2805610.478 2964272.127 1625078.684 1460472.338 1443641.302 1371901.385 3074629.874 2344073.925 6029159.338 4519571.283 9496196.655 5991807.307 2678371.544 2507544.032 3238910.099 2722442.056 2494240.789 2037122.308 8599964.392 8297700.065 45709973.8 36477948.28 5036495.694 5653199.056 2459171.137 2527911.687 3160228.88 3052278.132 836488.5013 690836.1321 1466678.703 1388732.817 5859009.738 5527997.079 4285476.379 4314293.274 3840378.848 5016008.842 33901262.92 33572697.36 2685959.003 2710447.074 14199413.9 12925599.47 1057217.43 1018787.34 996055.6434 1031395.389 1433889.736 1326177.504 4654435.273 3810135.97 8229269.768 7572660.282 1169272.538 1058897.06 3965834.411 3674866.078 5002138.087 6329342.632 12347172.5 12339800.97 3179315.086 2428368.777 3163695.537 3254250.169 2431196.461 2292609.342 4876823.444 4006021.494 4466306.919 3840564.248 7340769.605 5595612.119 6541797.376 6245505.693 8196731.001 8026732.818 2236897.157 2126673.417 85132.81897 73157.56133 78368.71294 90660.28231 106576.6157 95763.59463 112438.4209 219054.8612 10427968.97 9441819.304 7917028.784 6979629.693 5992382.644 6293319.366 6072052.123 15771504.36
Sulcatol 32001167.28 31870078.15 49222817.81 48687318.24 30242477.77 32515852.16 33321015.25 28288591.6 50299926.18 39530952.72 44673059.51 26066675.51 32264303.35 34007980.11 55132096.77 52792719 41260329.15 42728607.29 53887220.51 51808061.82 10432405.09 8847376.4 12062823.72 12274390 11418389.18 11240192.31 9609001.783 10034818.66 11135399.72 9310911.335 10537043.38 9948437.526 9901424.156 9805564.118 10543582.48 10570807.7 7823641.2 9228438.118 9163379.835 8877887.479 43431621.88 43941214.44 26696093.27 30804718.3 27590522.97 30314932.23 36994415.82 33547755.98 35514766.47 36520337.36 39231134.83 32109700.64 39161411.43 37176538.49 29365646 24742166.89 38565757.31 31954261.55 52606675.05 50607694.3 11243235.43 10949244.29 9204987.095 7374398.345 10359352.88 10879014.99 12982174.13 11375496.51 9823846.144 8073849.857 11555718.7 10666464.37 10101673.3 9495348.406 10247833.03 10032327.92 9744940.772 9809453.421 9169096.691 7409101.144 4336678.964 9361855.538 8862273.715 8188767.083 8132982.857 7459627.812 7396243.246 10669547.19 41211962.18 40517265.99 37811437.5 42193625.82 35809026.68 34413298.13 33200840.2 48268928.8
(R)-3-Hydroxy myristic acid 5225530.118 5404213.948 5344925.036 5252177.228 5059355.309 4969499.087 4972375.07 4771882.59 6418253.728 5612185.839 11800086.72 7907675.367 5704896.936 5464766.826 9850675.458 8673521.496 6367916.373 6737878.769 6559215.285 6942573.986 6811176.143 5700676.099 8680938.905 8416961.132 4916324.33 5650438.369 3605277.844 3736989.839 4494960.513 3721994.243 7304289.227 6288612.332 6516967.561 6628549.054 5589329.583 4088255.254 5305225.605 6358825.672 5122734.014 5331199.917 8025752.351 8738877.612 6349723.327 5437865.532 6233260.797 5529193.668 5040692.465 4826019.772 6219709.407 5894131.592 6694431.807 6040622.164 4452651.594 4507439.88 7694701.314 7202863.159 5940488.137 5441776.352 62183024.98 14723201.68 6046690.36 6064927.671 5618947.139 4635553.553 4423720.589 4225828.908 4614143.8 5101355.613 5956096.213 4936665.02 6122045.151 6012646.652 14439923.39 13700028.4 4804358.623 4929801.82 4547554.51 4323453.898 8618049.758 9656235.61 4336769.098 4728647.919 3889948.059 3509177.88 3343295.086 3309605.631 3440541.611 6989738.845 10139199.24 9566978.262 7158079.991 5299532.56 6119070.049 6562622.938 6169791.624 13255299.07
2,5-Furandicarboxylic acid 8824197.478 9033450.17 19067200.12 18333398.36 9237309.628 9137884.635 29821565.77 34343500.29 25878140.09 30295968.16 10968987.72 8424478.302 8689998.522 9446460.289 19876995.87 18185407.86 21089574.55 19434191.05 19177199.68 18922748.49 15936568.9 14805271.76 13812561.6 14675800.23 10025432.33 10267360.5 20865615.21 18305000.07 17130034.37 19136533.35 15518673.05 15824485.77 12509094.92 10670620.46 17157824.59 16545010.56 5014251.59 5772221.17 6257649.92 6383106.288 31239353.45 31344099.97 14460319.41 13672631.13 21802967.27 22813841.09 29982400.88 29951030.71 21640451.77 24523067.22 24717768.28 20826231.53 7848701.001 7908561.785 12108435.02 13282774.03 12608965.57 10738466.84 30274487.05 32025929.55 36856878.68 36672232.17 49715188.68 50921512.25 40462906.72 37025130.08 32046278.21 28924142.72 10149008.6 19741895.2 23735268.73 22990319.16 32199309.57 30371753.87 10983217.73 13945893.82 15411915.61 16346255.83 16516689.7 20887758.22 227485.0984 96486.26241 92945.28227 109474.302 97970.29822 106629.4065 95154.57554 203907.0519 16113091.06 14814914.92 11181370.32 10901040.33 11641428.66 12160244.49 11224182.91 18689806.55
MFCD00070502 19366022.03 16318732.87 5736185.103 709140.287 644325.9264 887290.724 651245.7285 984640.0853 618247.3259 1170716.181 1135135.106 954718.6031 4670131.021 6494010.835 6254282.753 2811997.479 7158729.756 7817473.021 10482906.96 822081.3102 826862.5403 701780.8395 509473.0107 557569.9956 970902.0566 528037.2168 1010989.197 683636.9539 676221.2329 729334.7859 1997606.7 3441637.759 818120.3999 1992826.176 3477967.672 1029803.151 773324.9358 889265.9105 844734.3679 590428.616 19145613.15 14640274.06 1214255.903 3815313.586 821965.1337 985058.5397 702554.4433 808638.9044 4157997.706 2996356.988 19375053.51 1262030.928 917310.9285 896004.9883 521156.6476 785075.6547 715604.6816 1044966.152 3350041.612 998942.117 1212476.909 925933.4224 54749635.6 806250.1017 6042987.836 6557912.21 720141.6383 906801.8651 46538921.74 899648.4039 4586899.915 2405711.731 2126542.631 5633705.559 19126417.43 25201292.47 936213.7197 5401164.582 51483262.36 522048.5854 355960.3899 388628.048 379580.4783 352222.9423 376712.2392 333414.5196 365695.6157 432040.6822 11241004.79 9854068.485 13116016.33 12461170.99 12926506.36 12638807.56 9604707.757 883995.3722
5-Hydroxy-DL-tryptophan 34681104.81 33921345.22 35268372 33282477.88 27840974.2 29902132.17 35927370.64 31722574.3 28917860.94 25898672.78 15475491.54 11725472.79 26551293.49 27369369.42 35358097.49 32891477.98 41477911.07 40385739.85 43361723.63 42724916.83 20025259.11 17227177.64 27808405.05 29938583.61 21835758.75 21348454.49 37579956.61 37221649.7 36036266.88 31707066.75 18085896.9 18208312.02 35682187.65 38428390.59 33711948.66 32553685.39 22251140.27 27950110.27 32319652.34 32048765.03 27842386.76 28681031.8 34260306.9 35011785.03 35508692.05 40903539.01 36716551.39 34933207.88 30575021.42 32320786.62 50428509.97 41968175.87 37185069.48 33886776.9 35088323.67 31721757.82 36644012.19 32978967.03 8985793.146 15153011.64 23247306.14 21561677.85 31939753.2 25616348.54 43425278.81 42673842.58 35246198.03 28712070.55 30140925.77 27124556.99 16548915.37 17781766.6 23195721.99 23037734.99 34233948.05 34276455.22 53136081.58 53940422.56 32853165.33 28615946.63 282109.1944 67086.008 54412.77273 44204.96615 43003.10712 28374.22386 29156.97686 54005.60024 11877580.66 22620056.15 27097253.78 35932561.76 29979082.6 28380171.19 26339840.58 18026662.94
p-Hydroxybenzalacetone 10820822.74 9142051.624 8661734.935 8625400.15 7163858.949 7520120.536 8056283.726 8468857.963 8946392.052 8122290.036 10076711.11 15441665.72 8500842.423 9636565.525 9446331.355 8900024.935 7651581.318 8397143.801 7876808.157 9210171.275 10487562.98 10481142.2 12256573.58 9942643.646 9030202.592 9009090.403 8554787.078 8011606.549 7960270.337 8396411.252 10003378.35 11582575.86 9375927.519 9993814.322 7644528.327 8833501.372 7631683.539 6294228.91 7816546.272 7735074.644 9636602.408 13077406.14 7578710.596 8163164.917 7235125.923 9502748.018 7978986.766 7692909.679 8972358.399 9200072.287 8026627.371 8681519.994 9176418.397 7334020.885 8037110.208 7305139.854 7977281.144 9065890.313 56264768.92 14203914.25 12363728.57 11193160.15 9664012.332 8652519.426 8517414.563 10598350.53 8856803.989 9148516.66 8350549.294 11458006.48 12131316.32 9599338.499 13286303.04 10189906.62 8668428.752 12132354.35 7545610.037 8111247.042 8330054.084 6725187.133 11112675.55 9441115.364 9589105.149 10983973.32 12483367.23 9455718.998 9494669.513 19745071.22 11534043.33 9899572.376 9803699.872 10151984.78 8870237.883 8624732.06 8165290.149 13439879.63
3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]-1-hydroxyethyl}-2,5-dihydrofuran-2-one 1238696.408 1292476.108 10870364.96 9729093.387 7897294.028 8586209.912 612410.5475 466991.2453 7101499.63 6214519.551 43130279.71 23776998.42 10435137.79 10226750.11 2490406.742 2259574.486 1783840.629 1754853.754 5340696.236 4955548.951 3352883.361 2641274.818 1006152.153 966315.7301 3417464.581 3258479.064 9231295.248 9592928.751 16943308.81 13553070.18 2464993.478 2209045.3 1069594.101 955534.7626 4257486.014 4218625.224 5902819.623 7177195.226 45449739.7 46226885.14 8451823.715 8835153.105 11229658.23 9847930.177 914453.3916 907041.7427 8514969.091 7718917.545 8256004.957 8360855.282 9480474.331 7907075.2 7514948.852 7352365.462 1131323.981 1002754.102 25157724.37 20335676.28 4206838.395 4764980.489 31868424.77 29834583.1 8110847.741 5476235.065 809446.6722 824430.2184 14740058.73 13370570.18 2490483.506 2027282.859 2714226.16 2524281.595 2873101.112 2558144.288 22573826.8 21620668.86 8009322.999 7561065.654 11551116.48 9482610.307 37284.38324 26303.67128 27049.87779 29780.06022 34681.1046 30211.77087 36757.26387 72098.26278 10412404.54 9523541.918 8103411.055 7515233.28 7070012.14 6610565.576 6508951.209 14510169.7
5,8,12-Trihydroxy-2-oxododecanoic acid 5652214.642 5676501.522 15724933.92 15112510.21 2401822.584 5319839.679 8443565.932 1991898.576 6244814.876 1861703.198 14330359.41 8923317.991 48408691.06 20347623.25 13044841.97 11994026.05 5419856.073 6007588.854 10757891.15 9326425.224 12477118.94 10463015.42 1778079.757 2355062.402 9924332.512 9758903.81 1940127.056 2427117.189 13463054.94 11357361.96 7711998.272 6163398.722 20439365.69 3032454.776 4250408.021 3976705.832 9124900.631 10802443.99 5923514.852 6270186.974 10453634.28 11727936.19 11707518.68 10441457.6 5974175.332 6442754.117 11431283.85 6311342.876 8422118.705 8372682.866 16226472.99 14484982.91 12625894.8 12422293.95 2858795.048 2315392.512 7667457.756 4312140.278 11677758.25 12457235.5 2977707.295 3479390.62 4238346.639 1554389.028 2732523.853 3121171.724 18314181.8 17574737.18 1550404.401 1425184.851 6388966.561 2647140.151 2623895.249 2854573.819 16823734.46 4861678.223 15842399.75 16105728.06 14661870.52 13167772.86 347652.2531 894796.3164 874620.3082 622910.093 823570.5623 833562.8193 531501.1543 1662176.481 7821388.145 8511568.659 5400121.346 4994894.612 4293102.242 4748455.44 4408945.753 11558000.12
(5S)-5-hydroxy-1,7-diphenylheptan-3-one 2479289.241 2442605.713 2477817.271 2388357.225 4464769.325 5814016.724 2673219.697 1303880.486 1972153.166 1275848.858 6243342.795 3025299.601 7668613.887 2207529.02 4494066.158 4435769.588 1206480.556 1397405.741 1027870.092 1215343.349 3328840.228 4329356.883 2233415.954 2444296.485 2995654.781 3098629.779 1452696.013 1898516.138 1887241.609 1663217.094 1567521.208 1496558.225 5354175.937 1960978.448 2593127.293 2907148.247 1982004.952 1588614.217 1573846.457 1709937.401 3009746.331 3429906.096 2186319.479 2730546.167 697358.7523 1169985.506 2945878.026 1476586.267 2123071.665 2393530.623 3534324.035 2936515.166 1527835.892 1621850.316 1912039.837 1869458.625 1955570.279 1877435.913 74374002.84 71364764.63 6519600.847 6158388.619 1751834.532 1639137.339 903670.393 1068788.551 1580239.959 1502332.391 1474041.2 1258413.972 5069553.178 4364299.625 1634539.129 2026038.995 4086468.331 1605930.063 2689972.325 3050248.51 2508857.906 2178050.445 226563.5322 441622.4228 512668.1614 606664.5402 487704.9822 401396.2273 442908.5907 1076195.359 20076840.95 19751607.02 17847827.26 20713919.67 13880698.31 13658077.13 13007520.17 30623211.01
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (11Z)-11-icosenoate 9440330.233 10075162.18 9889472.02 10394536.6 8208245.025 8737476.427 18812697.42 14485037.78 14147154.84 12380743.91 22047656.34 8641528.403 20921894.47 15371365.98 25484610.1 17575772.46 20696369.2 21674346.43 22457485.82 22583243.24 9757495.17 6472883.559 15456875.64 9927435.667 7250915.213 4912292.347 17399769.65 16640069.6 16723349.02 12575388.49 23026180.57 21698299.11 13264635.89 11567375.47 36862381.69 34853780.33 6342719.906 8255065.679 9490354.045 9559208.572 23573718.79 14880724.54 13680907.28 15815251.54 16436705.66 18161102.61 16720918.19 15302046.02 12555652.51 11664202.99 28397030.69 22745940.57 11857821.37 10484249.47 14479490.55 11545246.93 21722988.43 16766537.99 57939147.84 54531419.03 37986662.18 29627623.68 16854848.17 9077075.844 19313034.39 18260336.05 11634309.71 9218537.433 17828187.6 12951131.5 28131345.68 17728167.15 31760310.78 17789198.88 13701231.29 12974316.94 18126448.31 16666757.87 13086501.1 9684327.584 40787.22068 50718.48398 55715.19334 69969.0206 77356.20954 72035.91518 93936.57024 187406.9984 21388476.01 20285753.3 16805155.21 16099038.47 12472251.84 12356515.69 12417934 37516024.77
1722018 30734173.84 27898427.4 17913937.08 16627578.59 15164167.67 14025069.34 22681838.34 23736609.69 21223334.58 21426257.89 41945064.32 30179701.48 38450584.46 23660070.3 24683243.94 22393019.43 28746420.86 30993041.18 30735864.13 30776408.5 24846942.12 23500776.97 32421582.15 33043934.35 29333751.61 25506057.99 17155425.07 18559504.4 18116658.69 20118134.91 24669121.27 26530621.18 43412982.12 35527321.69 25810195.46 26716454.33 28937467.89 26423226.25 31687383.12 34370265.17 22402948 22790838.59 21815807.01 19807683.95 24545385.69 26985715.56 23136095.62 22921611.92 16291791.01 16605751.47 29942072.02 36215875.73 17598985.98 18988326.4 34596086.69 24841928.15 17539847.19 25953253.47 37740908.25 40046548.83 27832013.78 34263955.43 24873650.07 25248483.8 24566900.46 24442406.26 17458469.2 19107896.24 29980051.69 33003833.85 28328951.03 29515423.98 26097092.38 26395475.91 39436195.46 41642341.37 32473382.9 12326342.83 28977287.97 36162211.75 102428.0219 168582.8176 103842.8001 101312.0501 141379.465 106499.1446 118186.4182 246199.9989 29388804.55 29572319.49 21630689.49 22280476.17 21229010.71 22422835.71 22286571.59 37184959.03
Palmitic Acid 1959445.737 2389603.552 2110487.864 1875462.322 1892993.361 1697085.157 1869527.44 1658388.054 1705268.717 1581155.695 2630249.949 2645652.175 2349280.113 2033687.201 3024999.784 2942983.49 1842804.254 2053887.228 1843229.5 1826140.587 3321830.442 2780990.34 2558820.2 2390620.986 2111605.861 2302950.594 1944925.6 1859961.261 1532165.676 1576706.018 2377224.866 2853842.414 1548558.076 2469881.068 2267483.488 2376435.833 1535258.599 1607801.077 1719660.635 1666446.428 2979324.331 2437743.717 2405214.358 2280330.97 1949588.738 2050536.799 1995536.932 1715702.144 2155228.047 1962789.462 2157872.674 2217186.62 1860545.333 1733017.993 1573287.348 1507343.894 1534066.443 1518415.076 47270998.81 4354167.347 3081480.653 2948933.559 2252437.21 2037660.31 2184692.005 2719714.535 2397463.794 2188727.232 1878506.478 1748136.767 2588730.51 2466364.311 2736582.029 2362924.98 1984538.506 1821099.172 1952926.848 2083188.319 1746583.054 1433624.397 3081211.003 2386145.336 2163381.905 1105730.906 1832147.462 1657935.527 1606160.139 3717718.266 3082653.541 2526287.196 2289056.431 1909400.471 2012872.216 1726528.432 1582135.366 3742909.928
4-Propylbenzoic acid 2811902.045 2800231.589 2441138.956 2351378.437 2131009.461 2052430.79 2527282.799 2489314.768 2279835.082 2166800.273 3568975.151 4215659.328 2784382.447 2658845.46 2965670.226 2944913.159 2363889.351 2485795.006 2413914.689 2558144.365 3200666.481 3442050.167 3334970.211 3112278.685 3280451.66 3367054.45 2262448.433 2308286.711 2273842.598 2539085.345 3369931.552 3934709.661 3504568.839 3157975.069 2856883.671 2611800.919 2289000.499 2220455.357 2259250.246 2369593.706 3036470.576 3041402.746 2770279.36 2556738.945 2579598.604 2673285.231 2356373.339 2547566.596 2430034.69 2519516.803 2814243.179 3116918.721 2325381.523 2322987.523 2296086.783 2322934.536 2313214.795 2127726.99 36315864.83 4015146.425 3395429.431 3290871.224 2740984.377 3316286.377 3563669.686 3373333.521 2816861.654 3048038.65 2275837.892 2435402.866 3659984.587 3560670.792 3620939.586 3501730.91 2610644.682 2835684.716 2726651.208 2760190.143 2147004.662 2228321.825 6093314.555 5259838.295 4601801.919 4073320.099 4279251.637 4011351.258 3978217.136 6741393.545 3908889.497 3211469.18 3047763.261 2846363.426 2877890.071 2574099.323 2390954.694 4046406.967
glu-leu 18024550.63 18064391.54 13336420.65 13392320.31 18974750.96 18740167.48 21766657.62 18279253.92 13729610.04 11067749.44 32792595.96 19384103.07 27755597.26 30447929.23 24157319.15 22633565.29 27286034.8 28779501.77 19650353.3 20678733.84 22149899.59 18228387.76 26818304.52 27249286.76 20674668.14 23109195.29 21941810.48 24111395.51 17390999.91 15117143.39 25593161.8 23924725.84 27820756.15 26898431.03 31034397.38 31001952.99 15721007.75 18752481.72 19139201.19 17807351.73 22382299.71 21915668.15 28367731.94 29589843.68 20135703.07 20767791.98 19740074.27 18355192.76 15016736.4 15011698.72 30723953.65 24300722.92 22190635.29 20262566.53 18636654.33 16869267.34 19823875.35 16378374.32 49868744.5 44061347.68 43610962.87 40231141.79 28989122.91 22914095.39 24427387.66 24043681.04 20908524.77 19721189.61 19409003.25 16962664.53 37206357.26 32257753.79 27764305 24099647.34 22764090.21 21608311.14 32887897.53 34801422.72 20578311.22 17184724.65 66078.8013 23427.1372 26580.9619 27926.35412 26803.52955 16785.02841 22742.45341 78624.63512 24165234.82 23473943.5 20935699.66 21308570.52 17008834.45 15256008.52 15577284.67 34451223.57
3-Oxooctanoic acid 21182805.24 21301726.06 21832814.75 21915832.24 20347962.78 19423611.14 20695341.97 16772041.42 22962305.94 18502031.5 35494027.12 20959398.42 24023126.27 24201874.89 36851971.36 32046368.28 24255091.33 26151795.3 26011154.25 27146105.34 25161629.42 19053791.43 21724336.93 21542694.77 22461071.34 21860913.51 17545701.86 17378657.78 18725482.11 17909052.05 22200084.89 21404528.56 21028621.12 20362301.11 21339483.31 18883475.26 16739899.12 19372428.47 18199835.46 18721976.94 31520458.08 28655320.15 25883020.66 24117463.96 21705477.25 20906240.88 21865165.48 20844444.8 23807161.13 20985698.21 27259171.5 22491090.87 22508050.73 20863746.71 22847001.81 20536735.21 19195834.93 16783821.42 36992414.15 34803744.34 22703193.86 24895904.11 22668889.25 16584797.76 20363905.93 18238571.56 20009039.79 18830581.87 17823604.22 16015194.22 20870339.66 17180406.23 22513580.76 22094983.65 19825836.15 19378135.66 17317927.18 17834526.66 20899414.82 17786625.5 9055664.117 17549574.17 17802973.89 16700769.24 17144812.82 17738833.36 15058572.75 24985596.03 40277654.41 43586627.99 40822988.46 34318663.56 40698880.14 31453887.06 29141855.03 53711572.38
NP-003672 125453.1004 149745.5244 42188.40528 172705.6674 108487.3379 97807.39421 139980.1552 40859.43223 207673.3763 180019.0042 31894.44434 35246.27008 52172.28947 134890.8694 195980.9133 170766.7565 87513.38916 44193.75397 195107.341 202790.302 267098.4402 146783.3934 36265.754 29143.5575 32937.81221 31687.55882 48417.00513 43857.40711 46027.61084 45957.15099 73790.47651 41365.79173 32145.89717 32237.03638 45982849.27 41695389.33 44516.33233 45296.92336 60837.03599 54258.10804 143520.5061 36539.93903 142376.0564 34531.94216 38691.47177 40620.8133 39809.80701 115307.6159 113630.108 139574.4714 36935.77943 37211.10182 106663.5613 82478.7547 144567.1088 114565.2951 178866.6272 137229.612 251431.1942 327366.058 48733.82073 33876.07714 37739.61149 36116.57937 36098.38331 37655.886 40045.03642 252555.8213 42681.74895 48479.26401 149091.2424 120845.4111 32825.80423 31370.42196 38674.67542 37536.87473 43749.31662 43066.34656 54715.18283 36873.3361 39830.90227 27234.67838 30954.47156 37934.03988 43714.70488 37586.58636 47766.13872 93534.14899 2352142.052 1900159.158 1588997.988 1485549.707 1356801.541 1498362.597 1462791.325 3105541.154
Furaltadone 14785501.23 13005672.96 6646470.328 10687838.31 9078980.171 8948232.458 7340832.031 10639079.72 5559957.345 8908961.699 25192208.22 32172140.12 20497549.83 18583309.57 20097489.51 21263189.84 18179694.05 21266014.77 16193507.58 19932757.26 16930818.07 21890435.66 14270817.97 15624442.82 23149609.65 16933185.89 7246503.792 9159850.935 10261303.69 10093890.91 28669739.54 33389787.83 14944880.44 14728874.4 20081674.25 22157156.01 22853236.6 10423718.32 14397282.15 9750959.438 16936009.77 19595809.21 17648324.12 16805302.69 17664271.78 21525269.51 11147207.76 10658333.38 8488859.599 8452418.095 24932116.37 23718228.5 6825584.916 10066141.52 13691507.86 12647119.15 10367047.47 16366034.29 24253128.35 31345483.01 39702770.62 33448380.97 19559037.07 24375515.95 17535422.86 19253110.07 14019144.69 13344331.36 21514254.97 12570818.09 29539336.99 28837987.45 25243671.98 26034119.16 25274128.76 19040905.3 38686459.36 38245807.55 16640324.45 13062377.28 118835.2867 49748.46085 34830.92225 35325.02607 35963.48091 37846.23653 42415.7425 82267.66096 20877858.41 21547822.41 14957330.58 13157747.3 11464782.78 15342909.88 13529972.43 30935346.41
Hypoglycine A 2449954.964 2527753.155 3581936.759 3502525.017 37418256.57 39913875.58 2583139.731 2124271.733 3502660.222 3042120.335 3669996.788 2136387.036 46375390.77 50121877.15 3559384.519 3407934.406 3259262.229 3369484.885 3870138.248 3787108.4 466437.455 330989.2562 417601.8276 380402.6983 454539.1409 429844.3917 19846914.86 20552644.61 425448.5209 327214.7002 372165.424 351546.2474 403056.54 483998.6507 457465.9011 477122.2101 12957030.45 15749901.07 370788.3156 371430.4713 3321714.208 3339502.835 23142304.61 4074238.456 2391276.659 2298133.36 3138736.616 2699719.581 3042360.299 2976242.601 3089174.872 2629712.532 2712959.725 17691208.37 2461326.712 2288122.33 2858845.26 2453048.926 4174736.509 4076425.528 361556.3412 417940.8576 49145822.19 36524397.27 411627.146 427674.7747 443230.5628 404104.5396 390870.5564 331489.1812 13884834.5 11791455.95 434742.7574 379732.3719 442199.8042 385586.3783 4737546.058 4743547.921 11385201.95 10381886.86 224662.2178 459033.3571 416056.7348 403944.0476 355779.4472 333206.6978 303637.9403 499859.3262 6324915.29 6355193.965 5866213.547 6332475.362 5742119.093 5249648.851 5203114.909 7366267.116
UQ1000000 37880127.88 22397312.57 27843046.04 19913511.02 21284328.78 20447748.21 14312285.51 27306361.53 23961553.53 13436971.53 24529699.7 42286453.81 30899640.32 32881564.38 29764052.29 30644356.98 31408607.14 29185950.75 35116309.59 37936624.4 33460217.88 24297507.79 27051464.9 29754405.06 24824098.61 31471127.25 21830900.08 19007866.52 22961670.89 15140289.96 39107585.11 38895499.24 29392439.07 31556520.49 34057035.25 22560184.67 18691812.38 32349982.65 26007974.15 25416280.9 28377967.49 23631607.73 16945689.34 27268659.71 30880535.1 38398456.39 27695676.22 16393840.97 19577839.03 16899299.62 23435224.37 42763473.32 21007842.97 23718431.79 25754848.73 25294946.13 17762756.25 18905238.63 23963096.52 25769450.24 47441066.73 45635157.26 27798956.48 32477504.09 33959506.32 32797447.81 24059387.51 27215652.5 32692984.42 23360997.94 45828050.5 36480845.45 40135986.31 37511339.71 23753946.48 34878162.72 48771949.76 33838877.65 30888823.85 27508158.21 428871.658 147912.4498 542719.6636 35962.31406 611765.5487 30551.906 30136.62325 617395.0576 24693927.2 26584224.45 22023308.21 21822609.93 19858781.44 18871307.53 18378264.05 30706356.15
(3Z)-Hex-3-enyl isobutyrate 2881721.11 3420284.945 3149982.994 2893512.905 2518336.275 2369303.871 3183043.624 2803203.63 2805700.503 2746010.003 3766658.739 3876316.543 2772864.692 3132386.9 3302513.592 3021098.785 2580006.641 2868438.716 2379381.81 2609780.928 3140006.611 3275716.444 3394490.886 4483658.646 4373164.189 3531788.037 2715570.912 3735240.386 3596972.24 2521894.1 3275152.13 3825483.379 3544912.737 3465830.553 2591848.069 3869880.452 2758963.553 2775432.915 2550571.756 2907020.869 3766830.942 3374194.023 2406473.513 2847153.04 2643083.729 2835928.96 2849517.059 3000718.571 3266282.5 3673045.358 2871313.601 2591482.766 2847751.616 2773803.922 2510744.561 2990667.822 3441259.866 2785399.358 54989779.24 5176587.434 5036916.963 3232589.53 3862913.379 4049570.737 4236803.102 3350330.995 4248772.635 3616750.672 2874792.512 2931150.941 4739799.581 3585397.989 3127718.04 3286633.025 2993538 2422884.915 3029630.932 3405270.179 2548271.213 2844345.296 4204571.013 4271432.11 3399380.988 3088426.155 4334860.157 4037682.515 3296200.802 6566634.426 4078466.011 3248679.957 3105625.817 3504276.325 2520028.724 3075271.229 2961718.108 4584973.675
PEG n10 687271.5283 698633.0781 907688.9572 866182.4354 1295320.4 1135624.586 894052.1796 737212.0594 576726.8155 411748.173 2375847.552 1722134.18 822278.5259 587012.6914 625898.709 575375.3978 415711.3093 431683.7684 313263.25 341156.8222 843230.5543 652527.0621 735128.2403 699033.6789 658073.0149 772288.928 949453.7659 917775.8702 373082.2173 360305.2935 618122.3039 502230.6481 660788.7116 517011.1669 2032462.637 1586202.696 524581.1398 603966.816 412802.0163 432885.7677 517334.5384 472906.0747 1069376.752 745383.5808 426824.2193 308897.4607 845701.2675 949811.1325 407343.6574 412005.0649 1236067.865 1124795.476 504032.2343 470291.015 745205.4549 694691.495 426471.7166 364488.5088 16199817.93 8774225.109 2975709.178 2943222.883 1283421.729 1056917.736 302345.3937 302204.9967 480916.4824 413796.914 267867.3521 260818.1263 933716.7936 772210.4721 602664.3372 564023.7849 555956.5995 443331.0849 1216873.378 1180393.821 934968.307 974885.1326 158758.0219 185529.1773 185897.0347 159576.8474 160700.681 123089.8262 125268.3567 301440.5348 39196777.73 33453381.31 26876346.75 13417460.28 22645136.47 21712183.53 20488328.75 49175286
Thymine 25868426.66 25492826.43 18870862.18 18607852.08 21768402.22 21569094.79 19525709.52 16048217.13 23656900.16 18121023.59 41683705.65 23984502.2 27224109.03 31715078.73 29356953.85 27151682.19 24921969.8 24712074.51 29024276.28 27304930.95 38898336.5 29209332.67 32810763.42 34662745.57 39842881.33 38945235.76 18544460.23 18749170.34 24271697.53 21045971.36 27844364.74 26787238.09 38246274.41 39011962.57 27430989.67 26450703.37 30642877.26 36151634.95 41473540.93 38616509.54 29850742.18 28590001.52 29721016.14 31232474.75 16817864.01 17753606.64 21087279.75 22266273.49 23022727.22 22169391.44 32149347 25829025.9 25720669.42 23247246.58 18162223.93 17778477.57 31320174.32 25347910.8 45929347.83 38377607.18 39255652.48 36347358.77 32689238.54 24659170.36 23802824.34 23137989.41 26116287.5 22311987.87 45098104.47 37309532.52 34213734.76 30784565.55 26254896.84 24944766.47 46465085.73 46318790.33 35671966.57 35733937.69 26541972.63 23321514.46 100338.0477 26291.73846 20362.69558 60830.1394 75722.99804 18822.57011 62126.28894 27805.12967 26162413.63 27045502.81 25699079.24 26596138.84 22796208.28 22383640.5 22816073.57 30817420.59
Carbazole 4198974.082 3478992.24 7192450.49 7155550.807 3794013.603 4091538.455 2517847.884 1872145.203 8821583.811 7152914.529 7090318.74 4182094.082 3446515.22 3341634.993 13690509.17 13903302.44 8444351.517 7430967.932 13340591.55 12009987.7 7143433.112 5160245.898 6622320.616 5894915.547 6155625.499 4611203.214 5527085.773 4572336.791 5917952.65 4907614.542 11448431.58 9458543.754 3556152.556 3383575.503 9849658.953 9571374.951 3453622.953 4532885.372 4686854.165 4739385.546 5804566.274 6777947.156 2901400.078 3297969.012 1903248.721 2097013.721 3873827.533 3319017.657 5227620.653 5053485.704 7521060.992 6172128.075 2215446.852 1819305.869 4867759.022 3718831.259 3967363.977 3639653.791 14226963.85 16362870.79 9984677.995 8693190.348 8159502.251 5803201.159 8707311.139 6379070.769 10366187.07 9674493.028 8060331.472 7038660.907 16612142.16 17084324.83 7151336.394 6973263.376 9067748.893 8167229.722 10651149.76 11335582.84 5810308.951 4017690.056 86008.56659 57251.65745 60514.3086 74387.66119 85472.63927 69905.66468 78989.22272 179502.7648 36872593.13 30710282.36 27870530.53 29467029.25 23873489.54 23149635.98 22844585.01 50012534.87
(E)-Aconitic Acid 6071398.008 6102246.508 13534861.08 12749094.66 5996426.302 6183604.432 25153752.46 24757469.75 19400692.83 21143889.25 6234585.834 5652584.818 5623302.695 5544076.352 12602379.26 12531094.2 13941868.57 9965838.398 12964438.73 12413524.99 9997654.667 10191355.45 9092917.109 10275155.36 7021338.465 7442873.67 13343262.73 14414073.54 11352612.53 10682330.48 9929303.067 10842566.32 7691831.661 7194174.923 9338566.455 10891007.47 3421145.662 3595294.583 5064364.354 4384799.021 21173936.47 19700634.6 10199777.58 10033372.73 14854431.77 16322000.54 26335712.79 24404157.12 16641924.41 15442481.6 18832513.18 17669318.97 5312020.832 5560713.061 9111246.856 7937056.836 8371934.45 8217915.78 27094018.65 28242313.09 24508399.94 21742454.45 34430135.71 38976166.71 24445245.82 26122618.66 21721702.59 23859627.49 9477768.362 14654639.54 15648707.73 15738735.15 20275599.67 13289490.98 7437072.547 10606696.75 10391460.14 11296494.41 13665134.25 13994221.49 97385.14085 32822.68147 29042.76079 29466.25827 30946.57619 33314.29963 35011.2915 71712.31761 10554080.22 12434133.96 8938169.031 8835821.048 8362337.734 8524500.344 8332663.06 15368468.21
(2Z)-2-Benzylidenehexanal 2969272.54 2720029.069 2400686.214 2557532.186 2690625.555 3099853.936 2938859.787 2758870.656 2485222.654 2619183.404 3153753.993 4544582.776 2561660.812 2975812.058 2655345.065 2838080.952 2584537.655 2918537.89 2243352.754 2368048.735 4434784.426 4122372.918 2901849.269 3389449.864 3177040.947 3433618.769 2379995.536 2447327.151 2418044.756 2981514.341 3762496.987 3855184.731 3515707.162 3150107.555 2248232.166 2521157.623 2966801.299 2820812.472 3029500.043 2900321.088 2732334.884 3161662.492 2851929.917 2869411.931 2630350.574 2426332.706 2409467.38 2668444.317 2854262.775 2602059.755 2317321.552 2519195.794 2609917.119 2437678.534 2591178.855 2704589.134 2287495.819 2245861.634 58136345.23 4868996.493 2975315.864 3387896.337 2524942.389 2863712.802 2569895.591 2700377.402 2642820.753 2899604.603 2419682.016 2590057.119 3847175.386 4258373.92 3311863.351 3788455.636 2586931.226 2642896.888 2588977.425 2405850.286 2543499.142 2852089.932 6484279.716 4026988.724 3346661.045 3141204.171 3164927.203 3163882.782 3243062.852 5424197.861 3694403.324 3269417.898 2719866.855 2484407.649 2416960.207 2693216.646 2646010.424 4495525.346
Dibenzylamine 7731188.324 7146323.468 29863924.32 17672544.71 14242344.31 15488769.95 10547205.53 7497417.174 52720067.37 38885779.3 12578935.5 7061861.333 8055436.054 14219161.08 29149103.96 24889305.82 11094474.67 10745703.11 11935755.49 10144088.81 20304082.49 10433824.38 14356536.47 12390493.75 26317494.4 24131274.32 32879816.33 31022806.83 18068833.76 8579858.034 5757496.076 5215647.198 6892496.394 6537506.369 7605316.208 7328924.26 7800501.052 13682935.25 8617239.877 8368996.371 11346490.36 8901737.339 12877305.26 11874936.09 4249472.195 4199576.73 10400711.77 14171396.9 22596285.75 12965772.99 7687247.926 5354720.318 14946058.55 12131826.51 6914079.789 6361417.657 13191281.67 10651550.99 21337669.66 14692597.37 10696349.3 8417125.73 19177021.61 11636979.97 18803134.85 11290306.68 43045188.43 35257017.4 12554011.59 5943427.813 8299346.445 6394446.062 4995030.547 4093334.339 8720671.583 7207248.18 10695118.26 9255233.95 13968397.53 5784537.702 1045837.347 2953796.511 3632124.416 2919244.021 3233190.019 3032463.074 3738776.114 7933301.897 17668634.78 19452991.34 16493964.61 16942686.06 15924765.19 14400864.53 13506401.12 24478017.9
LQ1825000 714599.7038 764588.3891 739045.5861 780622.592 41386115.3 42178878.15 522936.5591 457055.7576 976543.4738 754248.4617 1653404.974 804619.8888 47217494.65 49565119.1 14641171.63 13642197.3 675867.5248 579396.1121 811794.4046 828956.5013 1210679.717 1021794.518 998189.0916 872440.4263 1031566.493 664919.578 23770970.78 24426326.92 756722.0257 592840.6964 787049.4404 864996.7269 820022.2749 725955.0994 863833.7707 945605.6306 17021913.25 20707944.53 338938.8515 415165.8415 484779.9635 805277.0149 23813858.27 24543257.79 514812.0728 529256.6882 535969.8333 517404.3492 454886.5539 490402.08 530905.8595 564624.4929 21879997.43 20419619.41 464941.0651 357035.6999 476909.8021 438151.9178 1397168.563 1191905.954 672453.157 946826.2064 47385876.72 37557257.91 646446.9626 828423.0509 1113010.764 857225.9117 2545476.704 2423027.836 14344658.4 12116658.7 1937881.716 1761898.564 1176102.395 739865.2342 7296322.454 6650001.4 19673403.57 18246446.75 647465.6531 519259.8817 484940.3605 456710.0989 503953.5501 391932.3673 407135.3925 571313.4028 7405950.924 7435408.958 6905391.35 6966810.203 6851101.869 6535567.873 6403826.365 8092491.227
(2Z)-2-Nonenoic acid 2422081.011 2573197.092 5376633.116 5582764.754 7194150.101 7108683.24 3743794.523 3019667.513 1502435.468 1276645.001 6054537.763 3331569.456 11759724.79 10972709.06 12833497.21 11664743.4 3715387.414 3869696.653 5579713.28 5406831.536 4023900.601 3484055.25 9728533.191 9671733.946 834520.6241 993675.398 5381829.784 6088782.027 8025454.349 5921938.319 3662917.841 3423720.249 17098690.67 17300030.19 4400327.169 4571777.052 7480240.541 9554832.71 6768553.826 6232538.116 3125062.527 2707964.179 6415255.864 6799771.085 2529365.721 2495506.552 2116596.673 1466316.978 2595380.223 2628368.15 6844379.439 5849746.744 8220728.616 7905308.64 2716866.168 2347833.468 4546810.838 3547613.212 5262456.929 3009000.097 2243697.972 2370042.181 8107121.591 5792809.867 3288631.602 2979139.492 4911315.954 4858911.675 4225719.907 3623700.67 5831266.001 4923403.332 42278034.74 39468268.66 3996544.274 3216754.981 9978712.157 9975583.173 29401499.75 24202346.83 632454.5523 135379.6665 512948.2108 531907.7644 563638.0188 515764.9232 137379.7863 948999.3319 7074964.065 6988405.305 9341212.293 6558769.021 6179538.072 5979211.591 6901758.224 8633226.026
5-methyldeoxycytidine 16035591.73 15459478.05 13373668.05 12645467.72 13987291.02 4931942.74 14983833.92 14062585.13 13709910.48 12388488.55 26690680.23 18219884.23 19485684.54 18232464.92 23476445.07 20204601.62 19382388.72 18169383.78 21174222.42 22949190.12 14050297.15 11898490.04 18054483.75 18998357.53 22142818.74 21000441.01 14467184.24 13115014.91 20473295.63 17328106.1 29384916.81 24441896.21 21428972.34 20147063.53 25050134.9 21433354.81 14944234.26 19473105.73 12177158.92 12978667.16 18582320.55 19700369.98 20831286.8 20943917.37 20175436.19 19201941.09 19140337.35 18058195.06 16936467.25 17306759.21 26725169.69 23753174.95 12945303.06 12171191.72 14329494.91 12893781.67 16300631.44 13776229.93 41850446.15 38761111.46 35253335.51 37120286.36 22076145.48 18139762.72 41915957.73 40160666.32 17626764.22 15891942.7 19537388.19 18133062.36 24934132.5 22403472.96 44515411.91 43108968.68 23768667.12 20304620.76 33502377.76 31657340.9 13425593.61 11195288.47 211098.6823 58551.20452 58472.7996 48288.3295 46519.11889 44385.52178 44543.94576 75251.64639 20576286.78 20413140.51 20536158.91 16447533.99 15357738.98 15779702.4 13507972.08 27186402.18
N-[1-Carboxy-3-(methylsulfinyl)propyl]glutamine 5806099.151 5921151.378 6333806.757 4931109.192 3901489.879 9048732.115 8295951.794 8985943.869 4212234.043 5251585.181 32982944.53 13712591.74 15019057.6 23311840.91 11779470.69 12123072.69 7471318.064 9079450.284 10631009.26 11209500.92 31303299.99 23280027.73 13822869.2 29653681.68 23908288.13 16247698.38 14656484.12 14570604.69 11327754.08 9542431.416 22363202.34 34689635.85 23299620.02 23386239.18 23879177.28 18243327.72 5018009.258 6286001.783 6667070.555 6503391.593 26884761.55 30314667.6 17464638.18 13900688.2 14484131.2 16457067.31 6346335.323 6861616.075 6567678.257 6484929.991 21339820.92 18849656.02 11341523.45 10458791.98 4117917.263 9008850.78 8286171.809 7312607.785 2668935.377 10639562.71 66790360.3 55524320.85 16286849.03 25230287.32 12586621.07 15742695.96 18326746.51 18005477.73 6434294.017 6208904.019 26102660.58 31079568.34 19580870.2 46398943.23 12762453.12 13690282.35 9618192.396 22606616.77 3636097.473 6985930.141 480311.3622 101106.6581 73811.76451 62092.6001 52707.17763 45546.48878 38944.68595 59895.9105 9000006.792 13104446.27 8720503.502 7259786.608 7888423.778 5502906.346 7297681.151 12167460.89
2-Decylfuran 3918561.646 4346825.594 4637031.919 5109750.214 4060540.292 3796988.488 3549708.933 3990651.596 4366221.444 5861259.75 6608169.711 5717384.85 5006469.22 5392480.388 5303784.182 7551436.322 4531184.591 4677862.172 3793121.467 4274439.513 6146319.598 6037210.194 4932176.506 5395334.361 4575636.511 5409251.705 3600222.106 4531334.518 4111596.231 4101749.767 7343759.201 7105609.175 4918607.863 5953188.074 5219948.701 5604537.595 3530725.686 3578623.441 4372142.802 3823330.894 4693743.546 5709553.686 4103620.942 4607296.391 3871375.351 4515614.963 3263539.355 3630790.436 4126377.402 4183474.141 4674526.551 4560214.868 3270090.449 3647731.049 4384595.125 4101649.634 3809315.343 3749610.769 47471078.23 8546942.297 6086694.145 6623280.456 5427740.841 5700113.76 6195117.86 6357909.034 5673160.194 5593378.608 4439841.588 4875231.703 5605593.282 7549682.317 8030701.974 7583255.766 4425656.219 4830069.341 4285886.752 5298447.726 4198461.837 3365769.678 4814123.667 3863255.357 4018685.259 4626187.151 3745781.973 3596314.492 4507464.244 8593584.156 7357180.517 6672319.988 6289116.827 5537758.941 5453188.031 5271242.664 4790502.857 9269583.24
N-Formyl-L-glutamic acid 1080714.561 1227078.714 982046.9217 1450730.512 806047.1324 1164185.456 2560014.195 710198.1202 666105.8084 925730.7373 1400251.041 443416.5233 37460535.45 1340914.421 399525.8226 423199.0769 496121.4342 468629.6309 363460.1337 379504.1801 597831.7171 492202.9437 908637.6114 1029340.713 475641.5332 586773.9275 1113535.652 1259323.615 589895.4783 449168.5226 464731.6444 483055.0816 12363608.39 574888.9091 481956.5348 380065.026 216182.1372 461186.9967 408153.7097 301058.2538 1719033.604 1794286.898 1073246.858 1167930.993 1052842.393 1309399.249 4891377.603 549181.7073 1243078.31 1511516.951 466661.4817 332494.0795 314133.4325 338039.6563 449952.9085 355341.7072 256279.6918 263968.7031 748442.616 575738.212 1087304.834 1211176.28 2510391.749 2785204.098 1679501.311 2129226.571 1309985.097 913631.1606 986188.5307 329195.1614 385300.6263 492232.0485 607888.5975 691190.9584 6586106.782 919671.4011 554589.6458 538179.2303 354635.8572 512260.5379 471022.6853 3010673.878 1045193.734 890363.7873 957629.1295 272596.8364 1000422.024 240386.5632 1222222.986 1348201.571 852690.3813 802544.6183 754220.3007 819732.7229 776447.4594 1820830.252
L-Hydroxyproline 17913057.25 11980738.92 12116184.8 16382563.87 14168580.06 11948618.97 18572997.23 18740182.54 18701874.35 14494919.86 29160592.73 18985211.92 20442233.18 18940086.3 20782703.84 18164124.49 20161172.59 18084826.51 37575145.78 25659038.66 541908.4413 3627850.357 8975349.955 3778243.624 7814803.591 14645714.38 10790367.85 13933885.82 17962884.9 14808381.07 15525172.03 11471189.01 717160.6807 2126431.269 19364852.38 16251138.19 19093705.06 21565172.59 9241123.623 5643900.392 18563132.45 20343153.2 16416699.37 16706472.13 8105814.034 20015178.53 19319674.77 20287635.01 18022325.47 21000026.38 23374334.05 22289185.71 13975144.63 14431601.83 21261875.4 22400092.04 30252664.43 26241140.83 54420791.49 58930838.07 24873966.65 23704411.95 19745863.67 24645799.46 27001949.88 26418419.66 12376565.78 9581684.785 29698255 23999489.97 20410679.85 14505572.25 18509679.17 18449618.99 19161213.14 20263506.65 26697782.4 34657669.59 28944721.98 29868110.16 74711.61852 49346.39821 41064.93511 413348.7777 432880.1099 427018.3895 551166.6991 1213615.951 26041211.88 19171712.23 17695704.01 14922712.46 16930874.75 18627521.25 15442771.75 37276475.57
capuride 477134.0192 469276.4179 751840.5932 687560.4508 39878942.93 35102408.12 322476.9774 120960.4592 700242.5295 504503.7175 424315.1757 226926.2283 25480856.88 27879302.45 13483426.01 11698340.03 188713.9113 140163.1914 337344.2805 361729.9204 1110590.101 805489.2197 270155.3286 294470.0797 419014.8582 456517.1164 20010006.57 19779045.23 363904.401 286733.0936 553532.1496 440256.8773 443585.8209 259206.0072 207461.758 149118.281 10709069.39 14188350.45 196443.3183 225448.1283 507471.5627 292266.4836 19485151.71 17163915.33 245508.0533 151144.1753 350781.1084 334216.1775 230788.6197 223200.3735 229797.6779 229188.9965 18828187.14 17672277.01 436169.951 235133.2717 303369.5891 236474.3583 1301804.913 270148.7797 145319.848 197508.4325 39273942.59 29244848.26 116552.7973 159381.2148 596279.0569 564167.2378 1658885.663 1458639.739 7926727.7 6739912.282 556018.9352 331354.4593 566167.7023 494781.9874 1747344.994 1737261.581 11337010.29 10859393.22 243659.4249 159961.2283 81338.03568 163488.1738 122480.9818 163049.7441 148432.6654 105012.7593 5030754.217 5343722.55 4852771.572 3902435.217 3950274.414 3824261.913 3672469.356 6833473.78
Clomazone 32943.29592 19627.14849 1218777.035 1213164.433 40890.74042 51011.66855 19671.33117 18108.48453 19199.17616 19359.09505 67917.64972 33723.48151 63748.77128 88799.81238 2158500.646 1957070.111 19204.46915 19449.80749 19849.24134 19322.18312 3057163.325 2354697.398 20684.29273 21212.69803 21817.6056 20012.94814 18510.17725 19156.93634 565772.4837 483673.1986 959081.4254 881475.9707 19588.9931 19916.17676 18569.81587 19012.56843 27858.64679 19415.36394 2675533.526 2587681.018 1868234.583 1767454.678 8525493.069 8659527.287 42071.94183 42320.71269 19433.82206 19338.13311 93106.38151 98386.57786 20010.93021 19538.24672 6085560.535 5552939.575 44180.47505 35253.74593 1756455.814 1429545.17 335693.0936 313501.6552 38184002.52 36107032.08 23648.02538 20948.06025 12752105.56 12513442.16 20110.39282 18769.9353 11603182.1 9483525.765 29664.50002 27034.63626 12484918.39 11900370.32 12218984.17 12354141 35588688.29 34356444 18681.22157 18527.16322 73003.98886 19900.70093 17569.07223 17126.96782 17385.03028 17201.28889 17321.64304 30990.01325 3863636.157 3523289.675 3155214.766 3183269.863 2608735.305 2706382.097 2562124.772 4981933.304
3360 668717.5404 721201.7223 736680.0377 701138.8327 37576325.64 38675283.61 297809.7514 236809.3997 872518.1725 650043.0137 992431.8745 437351.9424 43127806.99 45064562.17 13365449.41 12512252.9 414248.5942 360068.5575 822828.2625 718935.1202 1211600.614 1056284.467 869749.1031 743823.8298 901004.8593 620410.4536 21879311.92 22363463.3 640407.5399 535011.6864 646046.6514 769823.5783 674553.4929 558583.3252 552457.8672 710137.4638 15544308.41 18885203.11 296373.3509 287912.8475 368663.5714 688271.1213 21701789.64 22331686.8 307358.1664 300468.92 483274.7704 463319.2537 882039.3634 345756.634 429800.6647 370453.9152 19981686.17 18755162.71 365138.9089 335647.0018 389337.6895 355318.8376 1094447.15 703037.335 420398.348 653839.764 43147088.58 34274658.37 347360.8047 555654.5646 1024676.875 831880.6 2555968.06 2285738.09 13227184.78 11186792.9 1842759.662 1686045.773 1035006.974 601303.0816 6659198.058 6074456.851 17971955.94 16761293.42 398096.2522 320798.9655 419962.702 378278.1209 376124.994 221155.7934 376181.5567 419457.3583 6877545.907 6888840.922 6461215.598 6430786.997 6292322.297 5992592.618 5857112.43 7626169.891
6-Methyl-6-(5-methyl-furan-2-yl)-hept-3-en-2-one 1926102.111 2228307.807 1995032.766 2260058.711 1874999.453 1773709.997 1808978.545 2262053.022 2441483.273 2368435.709 2817460.983 2841108.509 2174044.752 2250660.256 2358845.161 2248850.065 1416875.294 2191461.538 2287243.416 2120547.413 2858127.792 2944710.812 2713741.184 2548035.843 2381627.176 2556061.782 2052670.42 1959809.639 2250566.525 2133931.067 2843354.179 2833947.483 2450725.841 2672261.378 2211543.045 2314513.089 2240088.966 2044965.757 2219099.415 1469264.66 2639180.308 2512221.016 2198799.098 2045754.916 1934797.112 2271379.895 2159846.715 2255805.093 2089449.766 2151494.521 2421375.244 2373123.295 1258895.548 1958515.019 1874841.312 2120358.53 2313758.177 2238458.099 49352412.33 4126839.543 2705365.789 2890108.884 2065468.834 2300944.993 2489994.293 2525687.022 2252551.899 2335499.264 2144459.818 2342762.448 2520689.176 2819416.636 2804406.929 2858201.928 2500628.991 2155310.587 2310894.758 2235187.637 1951350.56 1982962.77 3669268.336 3121331.7 2526561.224 2476555.003 2189066.92 2244062.683 2340919.553 4156323.031 2880720.703 2762091.844 2269284.648 2279115.859 2068930.157 2178420.918 1145260.034 4286704.027
Chromone 10187198.53 8598503.762 1010787.593 8156022.297 9227168.204 15046125.56 18895679.33 17088309.61 16716488.04 16320194.82 25356174.19 18393247.12 23725282.94 24349653.18 27317623.09 25878641.29 25156123.01 18134251.16 27301057.14 26384403.88 17105069.26 15115529.16 12177793.41 18316881.86 18907883.79 19787235.11 12400050.37 5656292.643 21314749.57 19878809.93 28281371.39 28771373.93 23437012.99 22760955.68 30579608.73 25356622.26 16279948.01 21305476.16 18571165.04 17927783.12 19576176.46 19730212.92 31101931.89 26935755.85 17026694.61 19516480.65 22894291.13 21228086.07 3375058.926 3579954.929 33758342.35 31447818.48 23978348.67 20598463.42 9505489.664 11838894.87 22540746.79 20800693.2 33284402.28 37949419.52 38955049.17 36139122.68 30956413.93 26936406.18 17873940.69 23687616.05 19437766.4 18480738.94 16989530.11 15696596.58 30285451.14 30532191.2 31471546.36 26793359.57 19069113.28 19972054.13 37682590.11 37478125.99 25205545.29 24535345.68 148919.7726 38044.06031 30405.01146 29533.79881 27897.0666 26473.37845 26091.08258 43768.46287 15321588.57 3741993.003 8855081.879 10581263.35 9997087.4 14923052.79 16130390.06 9955572.759
3,4-dehydrothiomorpholine-3-carboxylic acid 246832.8941 1613820.32 3556282.723 3284088.271 60668867.19 75929717.81 65438151.21 49690558.31 24183329.56 26300793.99 9428753.254 7984521.462 9312187.02 9155806.322 19805430.19 22121864.72 61530437.49 61196452.08 100796803.8 117101194.6 8055088.079 7407587.833 9489805.453 10056233.96 8117436.669 7983068.998 108418147.3 91065239.14 21679173.55 18924465.2 8943993.239 12685005.71 11605461.53 10795500.45 26646759.25 29039503.29 8598883.939 12872650.15 9222931.335 8870117.532 27150734.98 25276746.9 17628287.81 26405900.8 78017883.04 91920535.81 630143477.4 1372630338 28160273.13 8139915.097 48462911.12 45780718.89 240007410.2 139781506.6 52469840.52 41320844.61 32478710.33 27842834.62 25217078.75 35762894.82 16125411.05 15717570.68 19264310.87 34125345.06 20729144.02 17635763.82 36109629.68 36501591.56 34319711.12 29318736.28 12535752.59 16632062.13 21537513.62 19983283.34 36592932.86 37433893.59 43520264.27 53742397.57 57443800.27 43942743.21 50310.21051 19271.06292 25234.73112 38531.41118 142163.0718 79309.95601 29406.31162 33993.71379 186822.0278 357293.595 373251.001 458672.7128 1393534.003 703644.284 18656878.93 18656878.93
.alpha.-Apocholic acid 616247.3307 741567.0256 373282.2363 305749.1078 350770.5439 451875.145 1093528.951 1117340.054 13781247.53 11815133.73 762398.7917 486640.1018 1372972.613 675549.4545 1084143.635 974378.9561 1282023.023 1328706.742 23553508.48 24111181.79 29223074.07 22809581.85 926935.844 840933.8536 401361.6022 342052.3986 9569051.158 9441280.567 343665.6038 313558.346 617387.0295 521695.3203 1312975.599 1074030.375 16005524.4 14690821.32 771428.8836 1078752.042 20537777.64 18548954.82 730576.7312 761626.6701 37917890.06 37984686.76 964902.8764 890225.4375 1224528.81 1213312.293 310712.768 336508.5126 1968779.464 1592274.172 18648323.2 17069677.32 735388.2651 624086.404 954089.4449 696059.862 1062364.3 1006193.217 15295963.63 14479928.4 1885664.809 1744632.313 1433805.3 1344321.749 2591806.718 2334871.555 10433244.13 8381877.916 4354113.575 3466560.238 1372015.339 1207420.366 12422404.67 11866103.47 11372054.3 11453082.22 1576124.914 1403140.991 117884.0244 64801.55562 73491.24914 87407.71562 84395.60861 78060.55751 81129.58263 172421.0133 7318440.746 6012249.59 5397273.039 4915921.9 4558662.308 4326160.327 4213143.489 10060418.03
Hexylresorcinol 22743364.61 23953033.24 24539749.9 24770657.7 20233539.82 20643245.02 24099554.51 20333277.69 24997068.9 20047220.88 3987613.512 19881810.23 23004499.01 26107564.5 27485187.85 23610627.4 24809336.45 24414407.31 23240484.38 22927407.54 6196528.666 5338807.506 5165266.124 4831627.312 4935002.126 5464255.937 3940656.71 4170383.112 4561541.144 4131639.711 5877281.073 5339574.931 5395055.025 5178341.403 5260165.934 4829731.583 3933115.687 4638296.826 4731339.844 5202788.114 3259475.635 26912645.28 21771219.77 21969405.57 22335988.73 22843176.09 22006955.85 21294156.86 22371852.85 21271031.71 3070353.24 20642667.76 22264112.6 20631288.15 20055424.66 17634961.59 21902451.16 19941708.88 45326971.33 5053003.122 5265738.307 5593794.589 4014368.423 289270.4656 4942224.262 4678101.562 4931745.369 4980101.791 4779058.026 4036412.921 5473690.606 5220931.968 5842324.951 5458066.075 4323717.373 4643535.365 4642354.496 4934148.651 4546368.575 288965.7714 216138.2893 4271053.769 3242945.635 3778594.03 37964.11492 32760.45333 166248.2866 6162416.447 18031867.2 14418271.89 12667118.75 12961751.78 11966239.71 11967638.67 11350756.62 21155982.92
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione 3152417.035 4169406.864 3486728.886 3310529.512 6453733.534 7762778.487 8176199.272 5855426.781 3776845.698 2634405.814 10523716.72 7088481.691 38424299.06 10032973.54 13552396.66 11689782.41 6001984.042 6283605.404 6641351.285 6509255.954 3691438.321 3078526.819 8130310.084 8251484.245 6181189.1 6459867.916 3977298.93 3478126.121 4773068.376 4474115.011 9547804.43 9076603.735 21000953.92 9488809.499 6692839.732 6450527.279 5761875.66 7379746.037 4546154.806 4248757.556 7559426.67 7420728.819 8651488.15 8684999.439 3775606.685 4358999.599 6340711.3 3416587.595 2461156.827 2824224.15 14878311.45 11613528.26 6625720.733 6300240.879 3164354.436 2865899.565 7055520.92 6576614.693 12841229.4 10538584.78 8140378.043 7269246.283 7377167.298 6737693.97 7282227.177 6915481.205 5543589.891 5291057.004 6289093.697 6024850.827 10417505.27 9431174.496 15750464.55 13662533.93 15283207.25 6663688.571 5604626.78 5641650.004 6706683.155 6039605.265 235006.6247 512624.4651 56549.02858 58060.83958 57377.22907 54159.88379 89239.5418 99553.75031 7582601.957 5629818.698 5753406.4 5314599.323 3854672.169 5093983.672 4729306.167 8899138.715
(4E)-2-Amino-3-oxo-4-undecenoic acid 1211338.097 1290027.851 2166332.917 2062314.164 33735068.15 37564026.51 850302.8643 680445.6619 1861957.82 1424587.526 1708262.109 966569.7767 31736944.37 32427762.41 19360278.77 17077967.9 1318534.781 1263331.577 1741355.162 1604300.446 1708430.583 1365817.257 1118747.708 1001399.501 507653.8786 533054.4515 15807204.28 17094491.12 1087837.449 962579.4441 1315360.097 1281216.243 655892.4617 630863.1105 365395.6938 352772.1774 12662870.15 15482789.07 390342.0831 420120.498 1468440.664 1332723.425 20070499.26 19993514.13 760135.5146 759966.1878 1155726.98 1032247.325 1047593.038 1150874.05 1243244.71 948134.943 16010479.35 14865000.99 970220.7517 927212.5574 1198953.304 983659.8896 3387347.143 2040475.499 399344.2632 331884.4292 39071618.98 28490044.41 359977.5861 345273.2936 642652.0186 634004.7827 3620051.163 3132925.351 11346176.57 10260356.14 1007970.527 847017.8281 1068580.612 901880.3841 8192571.554 8099572.071 17169468.15 14979605.02 242312.072 501507.3547 338352.3574 317560.8078 340338.6605 365053.0053 354066.4392 636855.1306 6766356.953 7530092.142 6875929.176 6204807.179 5651490.355 5426180.982 4940067.69 9290508.645
6-Hydroxycaproic acid 18070279.08 16883952.5 24902348.86 26527734.85 21698848.87 7886141.199 24058860.11 21138566.06 22812526.73 17496958.36 34724009.63 21967978.85 29111646.88 10743206.38 12444857.89 12647613.26 25954063.08 29068449.06 10746635.4 10602314.93 22144115.83 18511465.57 30219545.15 12690458.6 33637872.67 31795972.34 22922889 23355358.87 10334977.95 9295308.074 33648518 30389256.13 10227818.27 10219800.99 28128551.5 27790155.03 20031938.04 23131896.88 20868423.53 5579228.764 18828454.77 20005026.7 7084316.251 27671790.44 8919682.499 24698726.43 27145583.42 25544265.37 23995145.53 24028331.42 26711114.68 25276514.81 7928653.195 22647320.11 7100545.622 18407320.68 22491572.2 6936263.177 28942626.71 23958321.3 10198117.86 9118958.428 30483325.82 9759357.411 11292455.64 9688422.31 10621165.92 26813751.45 25500297.36 7164477.319 38590640.69 29811243.6 31321921 8954493.913 27490528.38 26617146.7 27536521.23 27001813.23 4839054.802 20592359.9 1370167.659 1045210.756 899917.4914 964005.3228 729575.8313 741113.4282 538355.6481 791198.592 17324870.34 42753982.96 17439350.05 34343292.1 32498451.2 13620166.88 26450963.85 30931382.83
NP-020214 12614181.16 12540639.06 11109379.85 11212930.82 12417290.85 13184786.6 12088226.66 10839710.97 10624232.5 9136221.348 20804283.56 13800697.59 14706597.42 16103113.04 15258292.15 13859413.3 13095489.72 12561553.97 10406803.25 11450299.59 4494943.269 3944472.191 3596254.177 3658961.866 2830409.542 4046887.986 3411741.378 4157073.927 2854705.401 3248544.47 3941585.257 3564508.162 4361889.067 4967554.694 3617229.364 3381182.906 3743714.867 4257440.13 3364520.572 3538444.318 15414068.2 14020667.06 12280463.67 14240067.8 11063137.62 11695524.29 11101625.39 10459551.65 9630520.303 10271647.46 12855052.29 12503975.98 11393386.1 10527937.02 8806058.784 8913689.569 9600559.9 8915335.183 40308254.56 18593840.92 2772841.639 3394542.37 4276678.869 3700192.168 3284224.175 3529875.887 3534335.686 3736902.695 2911385.956 2502931.82 4320751.232 5096566.229 3781851.694 4094929.403 3647410.256 3817253.345 4193102.589 4310351.654 3774385.392 3043415.613 1554458.054 2134905.699 2041627.905 2176793.467 2533348.058 2343453.86 2235711.131 5115600.251 10045628.7 10397545.87 7085013.565 7294039.805 7505267.313 6252147.862 6025814.063 13234201.59
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentanoic acid 65675.47106 115900.5023 183559.532 160922.442 31897.31071 34716.16183 456546.0287 325458.4353 82801.98349 61217.11114 33247.65979 28808.77334 34711.32339 34619.61388 33647.61941 30282.60041 36895.71175 31859.6448 237222.2067 220713.0234 213108.2399 177497.9948 150244.8151 148998.9463 70786.25265 19757.58336 45393.27365 48134.4991 59124.27986 38223.7598 28206.80081 460617.9329 34391.15567 366173.0967 22583.4919 313204.6948 25196.99563 27879.97304 79463.24216 92587.84366 305894.6832 314146.7656 58659.3317 34102.05881 177197.8606 205944.0716 177610.9028 149110.9881 119042.5055 100013.618 53699.74765 44166.11715 40729185.72 38498995.27 178158.7878 28228.2602 22641.63741 21663.34398 228785.4573 60832.41313 24374.64796 42849.80555 152480.7835 112828.7558 267689.5229 281389.248 301832.2514 281272.1524 56636.56132 39121.74684 28463.96907 29746.2465 32888.54236 26367.02599 307314.3189 20921.13829 24975.88686 23050.27282 4758403.387 3636845.555 40431.11338 229883.5495 14715.75474 191947.7263 170581.5794 162294.6344 149705.6684 318974.3537 1025543.908 999700.6493 878990.1495 966272.8813 724054.179 724772.055 659689.3568 1402790.435
Imagabalin 1346427.179 1442324.35 2653644.925 2454235.234 25848880.37 26687971.83 791532.7181 631279.6407 467788.7749 364559.7694 1105754.217 605910.0081 10556891.72 11124216.65 13780744.41 12929524.41 506538.7584 493260.5755 235502.997 253792.2871 14090658.35 11201744.03 6999922.858 6829481.276 326898.3543 340185.8689 10001536.31 12273779.18 2063021.749 1681309.074 2081491.873 1855672.536 18618738.27 18506338.89 374340.9536 306388.6929 3075320.628 6322540.913 1246208.36 1265745.518 774143.8406 790565.2734 11215595.33 10365212.91 134853.2786 161912.7139 219885.3546 190114.3573 187628.1996 172454.4305 183400.4254 220417.7281 10686157.1 10700771.06 297922.2989 221167.5384 711390.8237 615440.1773 597654.5975 421038.3012 214324.0396 283494.9881 13216504.59 9703217.285 323816.6819 335510.4019 435764.3956 424473.4021 5151735.913 4476640.64 3505609.578 3032429.38 37332213.97 35710123.2 1987352.613 1842912.386 3075645.616 3109341.083 32566614.5 27574880.52 165188.0868 144289.61 115790.5539 122264.9868 125749.9234 137626.0802 112901.2775 185050.9254 5432824.183 5463946.824 5018650.302 4805860.923 4386342.392 4072556.21 4034294.138 6904809.029
NP-000615 5382239.276 4382901.466 4947172.583 4836258.643 3699437.288 3671415.817 5049925.819 4689149.827 4431672.887 4538220.572 7253322.45 6462616.228 5448746.65 5754406.528 6198794.148 5682237.274 5432061.573 6067295.202 4568511.335 5014303.349 8051111.444 7959422.12 7090011.685 7642449.842 6786090.756 6913609.405 4206399.004 4644801.768 4749436.31 4775304.965 9187774.191 8831796.068 6012389.17 6342959.616 5791772.748 5561724.845 3893168.557 3817185.908 4817823.672 4903140.774 6914607.007 6981989.78 5152514.452 4899379.788 5368476.454 5007031.809 5149120.696 4527951.206 4545834.102 4844889.065 5497630.284 5413346.122 3787713.36 3835853.954 4227419.705 3991316.398 4736862.156 4686059.527 46146652.46 10746770.85 7755198.101 8147557.672 5138625.473 5559253.141 5324711.923 6734359.148 5538192.008 5928190.596 5288973.922 4915011 7579786.785 7827607.287 7808912.645 8046917.219 5387388.847 5420216.27 5276550.228 5081532.282 3967038.051 4194388.569 6586767.228 5799332.979 4892304.669 4213655.227 3963901.136 4367340.373 4285518.652 9200553.008 7291431.853 6452779.523 5278846.363 4759155.178 4445098.329 3997542.155 4498801.957 9870987.128
Ichthyotherol 165234.2434 111407.3615 5119617.74 4937577.529 252824.8393 109151.6858 183623.1223 259115.3845 5773646.555 4697494.969 4550989.477 230436.2591 3348089.228 251788.4542 5646830.106 5168961.376 4429562.783 4295385.508 5896866.604 5348228.121 305254.2624 231714.0405 98548.80586 284561.3578 484357.1789 240509.6163 202154.2106 238819.8928 133436.0509 217282.958 242849.9374 225157.3943 207696.642 265019.7216 216848.8645 170254.2007 209599.8046 130467.8089 196836.1446 228729.4989 4466077.344 4343888.97 199172.9122 202887.8763 243726.0973 58860.18426 3632664.405 230103.4237 4179841.858 4458724.487 4124670.115 151181.6067 63280.55554 199205.7889 467858.737 117022.0628 244631.3788 159356.6753 42411215 6885876.07 205542.2647 233085.07 234064.1393 287728.6759 194468.0287 194855.305 225478.0282 268750.1045 185384.394 104413.8393 106694.7302 237275.6559 157375.1809 266053.8714 133875.2375 129684.986 248446.9548 214414.0353 170540.4578 224840.3471 347606.0971 551680.3523 228902.1636 217018.7767 78273.38757 221012.417 164810.334 368687.383 5585521.392 5371801.487 4986807.614 5157397.243 4242285.558 4221020.215 4041088.842 7061540.247
Traumatic Acid 2137082.268 3690451.475 2217645.455 3112079.808 2796228.295 2167239.432 6337440.336 2579258.67 3850481.381 2175881.949 8130107.933 5727847.974 37793670.34 4862641.77 4044356.304 4654779.322 1940170.867 3788168.409 1894016.191 2647791.638 4058077.832 5399198.857 3900200.686 3695132.357 2528946.2 4217787.541 1328878.754 1884748.953 3010739.642 3338308.597 2725244.894 3634430.928 22710010.54 3023014.668 3004524.393 4133779.242 5814156.239 6052292.748 1454451.815 3098838.253 4937096.545 5698822.001 3628861.698 5696915.803 1764498.452 2634163.182 10563376.33 2513539.736 2191054.479 3000373.48 2509336.115 3064670.814 1621614.504 2508653.413 5104476.621 5864682.498 2152262.906 3390963.382 4597177.555 11248846.26 1566255.072 3565805.106 4302362.365 3522504.26 943299.9602 2278894.529 2379165.5 2826126.38 2016684.116 2909081.037 1963648.643 3345265.81 6420446.227 6147745.858 17557099.05 2812719.046 2154848.938 4885963.739 6286786.024 5914571.062 273967.667 460523.8213 768786.2218 553292.4613 818847.2766 551016.9044 924699.5548 1857815.034 5151794.928 5098057.145 4694751.363 3917067.104 4152554.65 3951633.704 4077050.27 6132826.991
2-Phenylethyl D-glucopyranoside 19622571.25 19495623.59 21300456.09 19937309.1 18190280.92 19391895.75 21905859.01 18418706.66 20396132.44 17295256.63 31514444.41 17839507.75 24708481.06 25895827.56 24440548.51 21780491.81 21663958.13 21650059.82 20694831.26 20468224.56 16127782.52 12581282.19 14220901.43 13063534.5 11220553.99 11632445.28 10401913.46 10075449.82 11515026.52 9785811.547 14043019.51 13278255.34 14110042.08 12814066.98 12309976.98 11593298.23 8841322.655 10491178.37 10758396.44 11200219.59 26239984.01 25182886.86 21984309.56 21080690.14 20750976.71 21255871.98 21985026.11 20433897.29 18697435.41 18726316.08 23129429.46 18584640.8 21483264.68 18919868.7 17937506.27 15337714.41 21532927.46 18354993.68 43283622.69 45306260.7 16058899.82 15662603.9 12735981.85 9340800.402 11890095.48 11631309.8 12455311.13 11028712.49 11582167.85 10232356.75 14532373.63 13301993.95 14991179.28 12924788.66 12234846.74 11278529 11361466.89 10790682.83 10507778.77 8835579.185 1682566.431 3466297.717 2774787.813 2758267.144 3531960.521 2015621.349 1799631.313 5173148.693 20513842.52 19062101.48 15117564.56 14823055.31 13760892.84 13070540.01 12750396.7 28574199.06
4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid 239159.9171 337716.8199 106207.9325 124317.8836 149421.3034 152642.2743 251812.527 209566.9009 7684572.553 6023202.697 425917.0824 277412.6584 320927.0727 186962.5364 492695.1733 492472.7742 300876.1521 245146.847 14287946.01 13982334.31 26891264.35 21203733.42 124251.5067 189631.3075 139171.8359 118220.3741 6495292.317 6129461.627 308942.7258 238761.2126 501757.172 539158.6658 161898.5186 115573.3065 10976224.45 10368893.41 276317.349 336777.5021 16573203.88 15867919.03 121651.1531 171764.7472 29546106.58 35516520.73 335850.1033 335433.746 97010.78982 101815.8371 149530.9754 162836.876 166889.3935 184695.321 17085483.42 15321472.63 313689.6499 272265.6616 154129.0852 131810.7266 826427.5204 445579.2414 4068480.17 3527322.936 141778.5187 110686.4307 271214.5017 248407.0599 334062.7712 275934.3407 7672829.073 6547307.606 590944.7552 495787.2265 307179.5062 272683.991 10741833.52 9831368.706 2853144.352 2866341.202 113003.7961 112825.3515 86543.27937 73417.50309 75731.17388 87325.35556 90140.57582 76601.71151 78586.62384 176454.8633 4956589.88 4045783.887 3625049.315 3402285.199 3322323.207 2815368.304 2755871.193 6757884.06
5-Hydroxy-2-furoic acid 6933884.338 6495597.669 14896206.94 13871576.13 6599727.56 7267748.854 25549673.89 25876409.02 23888194.64 22133073.25 6996271.912 5728314.834 5419208.064 5757428.727 13282435.69 12219769.21 15246994.25 16551786.06 15532523.54 16742608.68 12045491.34 9787300.669 10032484.52 10458729.87 6944917.111 7263288.245 16316008.44 14195605.22 17357393.27 15762377.62 9876215.128 10319260.26 8371857.275 8115468.519 14104731.25 13277944.15 3006646.457 4111912.079 4606715.927 4340799.833 21725929.77 20645367.81 10581266.54 10265557.11 14851262.57 17952214.77 27021976.32 24944981.72 16599893.39 17992654.1 19592752.93 17810158.7 5588743.454 5500729.106 9104921.477 8601327.953 8888351.48 7392739.883 16880658.14 18561492.58 25383410.5 20735499.05 34696937.36 32265714.17 26977100.92 27515475.45 28390458.95 25193537.79 14697671.31 18558377.22 13950208.85 15128750.43 21884749.31 21284761.27 7905735.838 9776336.229 12586248.87 12495141.67 12853546.08 15530434.31 223290.5325 70507.57793 74849.7402 59791.03314 66710.14773 60766.63955 59778.45217 113408.7855 10109346.33 10378461.05 9034994.653 9648695.964 8527465.359 9475617.007 8408465.334 11690945.71
Diphenylamine 14642370.11 13463469.64 11075317.21 10826668.86 9009663.989 11105719.68 11448573.82 9425599.584 19124036.44 15032277.03 25866162.81 12757096.27 19059415.45 16004054.48 31389723.55 23301447.85 21923123.32 20031980.87 21528578.09 20021686.17 17976174.51 12840770.37 12823113.92 10963314.99 15375520.77 9998594.823 9197610.988 8442120.677 9614567.075 6717611.352 25876277.12 24989520.92 15188530.51 14551273.8 17066087.95 15566919.94 8126186.435 10992969.41 9551703.722 9017894.258 15275874.05 13318163.1 12261635.26 15260432.66 14869479.7 15941548.91 8012702.622 10472707.42 11196841.84 9657540.548 22165134.12 18156932.82 8377776.445 7124805.296 15620603.02 12556893.24 14405434.61 11664921.45 22650685.29 22049353.73 18526093.91 16175639.42 20352078.79 13798546.34 20638351.48 19079355.42 18100360.2 15573722.52 18374072.2 14497973.67 28111663.42 23252786.58 31035122.95 22661370.1 21318399.2 18594496.52 20108002.89 18676912.53 13692100.91 7511413.648 256391.1229 188484.3191 38519.55315 207106.8389 48869.49749 198338.5875 204416.6892 393453.7134 8222378.416 7133620.408 7679426.892 7735102.914 5695600.349 6530037.09 6478495.557 10041852.05
Pregabalin 438051.6002 394486.2027 612354.521 563882.0387 37106014.19 39163501.6 324575.5911 282721.7778 427895.9405 341851.9508 402066.8615 295571.5998 15639244.8 16620974.66 8407973.528 7438002.343 380454.5089 364577.8335 410133.5245 365663.7974 3742168.709 3254287.139 2333164.781 2498778.118 328851.5943 339961.4915 17347704.78 5585503.358 425188.1253 349008.4163 451879.5842 373226.4901 3864681.706 3774339.485 517253.765 418992.3735 5607362.209 6921118.875 313664.0419 337844.9635 309420.9263 304997.8042 18217374.1 16601055.9 283657.7685 310799.3345 330060.2058 316233.2228 333705.2193 350438.2285 371935.4482 346226.8959 16958591.53 5918101.081 326041.2396 283571.604 344600.6464 316897.7367 572199.97 606076.7401 365526.9322 389798.5089 19306964.22 14570416.31 375266.6052 371935.2459 428565.936 385940.8017 2053961.903 1740010.372 4562264.61 5192037.064 6910732.806 6409295.225 520012.7027 377948.6164 1284205.715 1352210.494 13802757.27 12863212.73 97789.19478 90336.22703 53632.0838 65257.21375 49051.04599 86928.69711 109831.316 151528.4845 5284410.382 5392271.954 5386220.033 4522540.017 4357388.329 4309946.637 4016567.266 6934656.06
1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydro-2-naphthalenecarboxylic acid 79853.44732 113717.7406 9108384.4 7181267.062 6756885.956 7084083.728 86594.98642 139198.2311 5937773.84 5052321.306 32553958.64 6041750.405 7809225.157 9257901.438 386886.1354 302983.5935 263547.3624 208456.6061 5012509.972 5056263.069 235032.7774 243599.5602 210918.9451 185922.039 164593.6419 239927.2474 7280073.668 7984362.872 12884083.48 10682645.04 187835.7191 135980.0767 187052.5107 177617.6323 92483.3324 191841.0818 5020387.753 5979678.517 34446594.34 34618326.73 8107396.54 6791996.932 9308883.162 10019032.39 152322.4988 180974.6741 6724675.543 5280426.919 6727466.861 6802792.891 8351831.764 6440754.421 6288988.357 6265438.561 277912.1445 26553.90068 19081440.26 15395337.78 870835.9426 545555.9058 24144165.78 20425574.1 6364182.036 5060482.812 159132.9478 136652.6502 11939252.03 10932625.16 160220.7732 126740.4079 275933.9506 262032.7111 27318.51038 243824.4037 17667784.5 16740384.49 6652030.981 6088344.605 9387654.336 7716224.051 66673.21464 14610.45064 49924.49064 15333.55756 50247.39987 51573.62149 17213.59402 104213.1475 8020443.559 7420012.62 6431735.121 6033254.247 5781314.003 5035875.645 5261109.542 10612343.53
Succinimide 13450045.98 28340331.6 2919093.248 3511396.425 21597168.58 38025131.94 180702935.8 910970022.8 2218111.352 3613583.165 4762751.214 5823558.72 9212744.859 853044.5013 7844082.64 6973152.413 3439817.978 28105170.74 17710703.03 815978.0968 7045978.199 1164723.723 9381381.108 378626.1894 664655.5501 7200969.52 33923385.1 116848763.2 77433540.57 8144845.443 5661034.951 6667321.725 8796035.996 802671.9118 19651556.01 10000137.69 90004074.55 91519841.87 51767138.51 8745912.352 3058963.057 5119920.402 4732994.618 6662364.564 10809068.22 4701381.757 4614392.075 34092086.68 30626358.72 13700067.61 9780840.938 737727.2307 54739833.89 31971906.19 206993745.3 87948562.53 27339784.48 46058043.34 1374574.87 3061428.107 6930907.614 1328990.447 10973539.16 10899037.65 18059509.88 599983.925 10772202.78 9568129.502 13316920.8 194134828.3 448204.0024 2161380.843 8457888.523 401828.0806 10484389.32 11010762.11 3732611.244 6574767.948 444577321.7 308713456.2 504030.1796 745252.4094 7378200.526 11441626.24 2285751.288 203515602.4 64965136.19 29589232.32 4029867.241 10121848.09 9123100.41 1469059.249 1469059.249 297624861.3 54576496.97 29943885.95
2-Amino-3-methoxybenzoic acid 13889836 13356220.71 13530184.13 13564170.46 12064736.29 10921412.03 12055088.5 9818850.469 14371177.25 11520424.93 24398386.91 14872580.49 27124428.94 27084765.24 22571665.22 17998728.42 30502286.86 29822543.17 27909367.4 24603081.46 25879205.61 20620147.11 37543157.03 38408826.36 13373199.41 13539717.47 15884325.76 16360926.1 7084505.003 5618129.714 24662071.57 22384382.88 32992038.93 33572131.78 31688717.68 30210760.15 4201894.789 5030010.84 11354297.65 10203937.16 30368428.31 29799626.87 21757681.64 21973675.89 22523927.22 21164332.27 14682906.14 15567260.3 13610598.09 12531033.85 24461126.85 19714228.68 15424740.97 13898681.92 19265030.4 17287609.1 9287270.928 7523719.44 25783902.83 21335503.91 41192638.39 38080832.79 30412797.11 22572493.48 15845874.33 15771292.83 15306112.91 13563237.63 10057198.93 8925714.965 22847360.04 20086287.75 19919247.32 17372420.62 15224381 14623221.29 19721411.71 18640012.53 10070306.38 8638249.729 438167.4468 116618.4341 74994.83663 85765.87249 49035.77448 62868.22085 57302.26735 86407.04398 10312873.32 12781938.06 16486116.32 13223019.8 13187742.66 11005858.31 9773914.699 15058895.24
NP-020521 3475921.311 3307212.946 3438745.858 5126190.772 32615244.29 37222925.02 8078377.02 6112178.891 2061027.676 1880592.039 4229875.958 2275355.924 14040910.94 15608815.88 26127912.28 20179926.68 5234765.189 5529774.94 1338880.008 1670460.112 6688982.729 4041050.369 8632442.734 9602038.878 1024457.198 1229018.991 16178708.37 20364826.13 8499929.206 7605995.097 5541891.079 4989291.513 9068009.112 9013391.978 12069361.36 10595967.14 23150553.24 28937735.91 4189894.199 4280229.476 2068434.375 2411401.216 19585227.96 6786138.805 4592944.287 4535251.24 2702925.68 2860088.043 1776996.625 1428815.809 3240856.553 2904021.902 18200746.11 14113194.9 5378492.437 5450686.538 5649907.319 5326797.703 36960518.79 13761064.52 5294216.64 5526901.85 24007936.61 13810486.99 3199160.494 3659555.608 1611339.976 1792613.044 22071318.41 21488428.71 27048674.14 22483643.89 6346204.404 5298282.816 4614349.458 3636689.588 3386934.556 2804752.067 39437587.08 29957280.98 208440.118 469537.0603 776056.1027 722258.5428 629920.5335 824489.3511 946506.9088 3093659.661 11090513.51 11752453.26 7962989.559 6646161.58 7067732.628 7078263.205 6573525.345 18561880.29
6-Hydroxy-5-methyl-4,11-dioxoundecanoic acid 1302971.805 1473221.016 8263909.857 8508584.734 1157090.114 1115465.017 3447922.805 753797.1302 2005280.539 784970.4986 6382743.53 3881972.171 34772337.78 11793811.72 1714509.242 1594887.855 1128122.101 1351330.949 4447470.464 3982901.127 2578390.924 2274578.349 1126823.847 1200811.568 1420785.246 1717846.102 1250446.929 1343997.215 8880686.173 7313542.926 1607760.374 1589268.236 14350164.93 1702807.12 2668665.854 2590185.088 6605494.379 7508948.699 3685775.576 3902150.998 2078751.496 2242044.501 2603871.675 2729279.574 1037741.385 1206617.947 5241744.564 1094437.051 3736595.821 3678642.235 9494146.245 8179995 6109021.013 6096696.356 1219944.496 1245829.472 2970706.629 2512152.775 2102125.296 3563967.309 1937280.989 2151978.411 1306513.583 954994.0319 1715877.006 1795754.374 12627038.42 12017372.31 822947.8378 696487.6444 1676112.37 1673487.826 1794004.736 1743902.078 11337221.02 3225863.912 10451757.9 10718414.3 10245138.73 8580399.276 50512.3123 324459.1289 176444.831 138906.2805 176989.0105 137795.1635 163706.9182 336555.6706 3517668.352 3837096.583 3619549.649 3274904.38 2871215.426 2816423.862 2571562.811 4815804.404
2,2,6,6-Tetramethyl-1-piperidinol (TEMPO) 5188086.937 5763971.938 5637168.171 5056548.339 5084400.474 4921660.495 5006758.173 4506538.97 4327805.676 4027993.544 8653301.413 6661712.937 7585671.589 7935074.175 8080028.612 8025278.694 5155356.817 5627822.919 5329680.345 5502087.314 7527870.83 8016802.337 7128845.843 7899987.555 7300922.363 8111375.83 4768561.613 5082204.231 4513841.452 3929318.54 9152452.733 9779963.85 5831568.971 6426601.562 6159517.353 5726914.387 3844747.893 4175787.222 4945221.4 4643401.673 8003835.91 8867162.065 6430671.922 5861871.088 4630640.726 5375201.265 4133290.71 4597215.074 5809362.061 5658128.21 5652041.174 4732401.895 4706614.724 5331890.947 5803793.48 4587447.663 4543735.909 4105679.32 33401162.39 7565388.482 7111758.356 7470870.56 7911946.247 7137976.241 6854853.493 6301866.298 5543170.33 4997100.963 4591855.418 5203276.384 8595554.808 9054774.393 6966655.495 8188023.054 6468732.863 6437330.363 5337029.148 5857390.68 4213775.516 4174122.757 5851781.764 5494901.293 5577964.456 5062821.06 4657939.768 4802363.252 4952016.353 7673093.676 7015653.492 6700400.899 6235509.176 7247026.252 5329320.605 5766844.165 4760996.172 8567402.107
4-Hydroxybenzotriazole 18833405.86 21967887.8 15601097.47 16314173.62 13329276.5 13853057.75 19521707.83 6632748.511 10053954.23 5726682.377 27133336.83 14731788.93 16765853.83 17014756.54 20584131.65 16632851.16 15627238.39 17680185.93 17999791.76 15543419.17 12589385.69 8730726.452 32429085.18 32973660.31 10897357.14 20930106.16 18203912.72 16881902.08 11594203.63 14388643.26 20097379.45 9296457.363 33644282.18 33050081.88 19797128.51 11831504.93 16745740.77 21781590.06 32361374.58 30954139.26 9243735.005 15579603.23 22493638.35 24488727.76 15519445.92 15029211.89 7727471.614 11806644.14 14221951.79 13865039.35 16091368.35 6726710.797 8871371.363 14191488.93 16666841.16 11815726.61 14340979.58 10662919.17 24213270.61 13965372.32 11535416 12715863.35 21705168.62 14213311.19 13633081.99 20410118.76 8125209.138 6854998.618 21479548.07 11345658.86 21073960.39 12297051.04 18593113.61 16437896.15 18246312.84 9744348.837 17290337.45 17381593.14 14950749.84 10000714.6 58744.68658 24480.08532 15762.03663 15864.56367 19347.06144 15796.77633 23899.93292 29171.26574 18393543.15 20032430.18 15617201.21 14449672.35 14997007.14 16397159.06 14321535.94 22709809.82
Hypoxanthine 2290047.257 315631.9356 314283.7344 273067.9 219627.8659 236019.8257 4308527.201 2087128.862 1575749.692 111520.273 1769895.518 1545884.133 35621563.39 1727460.839 453444.5346 309594.1808 285925.1105 2465300.774 155038.3135 279658.8248 221273.9363 202330.7979 473931.7439 388529.1846 107278.5883 133278.0544 1324886.014 239710.5366 231726.7584 116490.796 409156.5256 293152.8815 16853405.71 579118.9764 186401.3937 159863.2486 97323.61914 111399.0256 439609.0374 153817.6339 343079.7601 604074.8181 404792.2011 412948.8887 201621.1336 274749.7263 6008085.003 337652.3466 1319438.997 270825.2923 270982.1725 235865.7164 202672.734 183082.5718 225116.0505 197210.0917 605813.3707 129255.1483 611571.4835 261091.8969 563143.9598 795034.1862 363678.6569 978555.3226 2544709.351 2463272.275 868212.4486 1158111.801 98131.04149 143065.9587 437268.0687 331567.3334 600604.8288 970228.1951 11229613.51 411429.4732 368795.709 175052.9521 190693.5567 109078.8197 210264.3174 60784.01375 109993.1969 118462.3862 77696.38605 150601.7592 305418.5722 252618.2787 379760.0324 573933.3708 499002.4323 1042799.834 264534.5341 570688.645 608680.2803 249931.4453
Ureidopropionic acid 6160290.958 6361208.441 6797480.881 7846559.104 5893398.393 6249017.166 8652533.716 8008897.598 13253944.79 8237031.582 10907449.28 19082115.02 9988452.149 11305360.9 15550927.57 13077699.18 12671114.16 14551139.7 13683992.2 13222602.86 7165658.036 5637271.367 11681602.27 12720863.31 12187381.38 7325943.452 5747852.179 10390768.77 9152423.078 7868271.898 12889738.44 14702213.54 10377955.33 11380095.7 16595187.49 20116369.21 8019238.306 7151928.464 5884566.742 6257773.229 11795138.34 10662393.55 13861153.2 11407316.55 12574111.33 10869773.3 11428338.7 8558930.54 9187482.855 7473964.912 9299224.287 22112011.29 6476924.181 8110924.554 12025117.07 9544600.867 17973439.55 10886187.6 31578245.37 26137129.25 17518000.57 23328787.77 13517217.35 14841322.14 12210284.17 16997314.65 12771708.73 9186567.311 7961093.791 6768520.522 27338383.9 16115284.91 17238265.74 13843931.47 9461904.521 8570036.663 13954598.29 22134913.16 15236241.27 9781446.025 1414402.054 1309434.08 155374.3427 1412725.701 1495572.607 1534008.537 1554598.564 2879343.978 10314066.91 15947918.51 10277965.56 8887425.511 10799811.46 9032555.182 8621064.459 17346905.65
Dihydrothymine 16967297.84 17518669.79 7975989.426 7513252.824 4298473.283 2419056.92 7345560.639 7667658.294 9625543.199 11234512.56 25856275.44 34192275.41 7447330.904 7354183.452 15907841.04 16670580.48 9127348.781 8280011.212 10140383.81 10501381.36 1493444.035 1324306.462 7281421.804 4822430.283 9917475.515 10284611.23 14845272.61 15057238.61 5857655.562 5455055.977 9937051.826 7926233.814 9499467.663 9032243.307 24540176.38 22123494.8 7816398.858 8032013.768 558874.9342 621889.6863 7603215.975 8515592.394 4485951.676 3999800.859 4363144.037 4994681.965 4893591.121 2492141.649 5751965.091 5144611.652 8000659.145 7312062.103 2708319.302 4258579.197 4368171.298 4513530.124 8279223.719 6978925.547 10210765.8 12552644.62 3504142.805 3602565.11 2313653.117 4554035.805 3888894.258 3709631.792 3519232.162 2970722.034 9388289.629 10349176.54 5091094.418 5976590.716 3985294.58 4280314.558 11009344.1 8085302.805 1730009.806 3028984.044 3141166.018 3122336.132 80649.49663 21630.11931 32349.88882 173227.1783 152212.7186 29220.30334 134862.826 227569.1788 8493076.098 5303052.81 6497835.197 6759163.393 5698522.585 5927035.048 4781052.638 9197788.99
(2Z,12Z)-2,12-Tetradecadiene-4,6,8,10-tetrayne 23087883.79 21972777.73 24291296.98 23719405.42 20066398.01 20198184.86 23703015.7 19750344.1 23112998.25 20017468.32 33480204.79 18741228.99 25605155.61 25987452.92 25175025.67 23297658.22 23775488.09 23744284.95 23870571.67 23273906.25 29637963.78 25095427.7 28000769.72 27938555.84 26065637.49 26093566.84 21310907.33 21827598.18 23915217.53 20988124.88 26848625.7 25669592.94 28093198.3 28170572.1 24578286.29 22961419.87 20822178.51 22427082.52 23075819.54 23619662.72 27268700.16 27219041.38 21036380.75 22378708.56 22193220.89 24219429.23 23165533.43 22316637.29 22104081.73 21378090.42 26128785.95 22090272.79 21676771.99 21788282.39 19490351.44 18084630.6 23961869.48 19860515.58 34320891.99 36203203.99 31278117.01 32023007.56 25027877.89 20070732.89 26619439.76 27187554.67 27294405.58 25328143.8 24188110.26 24238152.95 28156848.19 24819297.04 28515912.4 25496919.4 25552493.9 23489217.38 23519477.2 23993700.51 22588812.31 17465589.24 75387.85028 31771.16785 34311.18706 35048.459 48377.33687 31765.79718 38411.54994 69579.82482 25654869.55 24342072.03 22537353.8 21005175.79 19158938.64 19361177.62 19774025.19 30576963.02
5-Methylcytosine 11830169.47 14636104.69 12393829.84 12470852.74 13729968.57 13569425.79 15412608.32 13029985.24 15686837 12900201.09 20322694.51 13011989.03 14310052.53 15806132.97 17780320.04 16105320.95 18215252.58 17872321.55 21247552.32 20280278.64 10998708.35 9579539.688 15152288.86 14658578.68 16832071.49 17465163.95 13527083.51 13355939.46 19277316.42 18367783.2 21648657.41 18577185.46 18904346.67 17697984.36 20733466.05 19027406.48 16477990.33 19969368.76 12688739.45 13337447.61 15988464.9 16070460.1 18996092.17 17642187.7 18767300.38 16945747.16 17878999.72 18614244.15 15828185.22 16894231.37 23032864.72 21868146.95 12763012.39 11739256.89 14934250.72 13369660.54 17215242.81 14348993.25 578974.574 24901337.29 29586270.81 28796181.34 17869907.32 14196395.89 36262606.77 34093078.39 14850518.74 14967185.31 20097290.38 19746480.82 18366286.55 15137254.79 32046935.19 34400741.39 21767242.49 18961017.1 28885470.89 27324447.67 13173483.96 11659753.23 288689.8743 267819.0035 214079.0204 209459.5871 195721.604 214772.4558 162443.6482 272248.3331 16296898.47 17621603.97 15925723.69 14916490.58 16531317 14602495.73 14051949.32 18679896.49
(4S)-4-Hydroxy-4-methyltetrahydro-2H-pyran-2-one 18626540.03 18763720.85 19372615.91 19613183.59 18488268.51 20012035.31 19631128.65 16323761.35 19777724.56 16865985.75 33675741.65 18777108.46 21375372.88 23263178.47 23882934.64 23478908.33 20928135.71 20691280.69 20763784.78 18224257.44 6021794.847 4975445.466 8020779.545 7985353.626 6141044.802 6268899.708 5016528.599 5108799.462 7784854.096 6718697.284 6190993.368 5269468.538 6714773.062 7326195.656 4691597.032 4747946.76 13733812.28 17014084.04 5159926.843 5394601.077 26423428.31 23811919.95 20650483.58 22058013.35 18619978.33 18880308.08 20098623.9 19678674.81 19523583.66 19528654.63 21090615.75 17879347.46 22353765.91 20111960.4 25701231 22517278.07 20185023.9 18191299.04 31000269.3 33863073.18 5534615.441 5383171.381 9750927.319 7165738.997 5575149.786 5218241.833 6268432.553 5922957.841 7665638.328 6851536.662 6230728.019 5395883.74 7998105.873 7275497.471 6461587.93 6207915.913 7552836.402 7887590.687 11204664.43 9138894.561 901981.3237 2552453.936 2365447.28 2391177.859 2138571.603 2122937.544 1860905.476 2766164.443 11948972.55 12624083.96 11903893.68 12022852.66 10585192.7 10638575.39 10119395.99 14248466.49
Alvameline 1548485.745 208407.074 645040.7961 258097.1345 273094.9913 253502.7644 571831.0261 221899.5281 314034.9793 347357.6012 377691.3086 179676.7856 568069.9239 237491.8862 216869.9993 247993.1885 217253.3529 217121.7897 238687.1507 421323.415 1498387.215 218625.2873 1536635.992 989398.633 342326.3806 1580598.69 422828.2906 248370.8173 230168.1338 257898.1189 190067.1456 344446.7815 212225.1329 207165.6688 425962.4618 628057.6554 49985973.23 237185.9085 30471367.97 365200.8781 423836.748 204063.4807 1035733.449 217911.915 189357.5963 241367.9242 561591.1535 235833.8673 4604462.415 4909032.91 229344.6287 1790466.911 406394.5233 253640.8029 254455.9446 4338225.719 3649767.452 5947843.878 700867.8528 4645588.28 278832.7204 812893.4336 252357.2001 261592.2852 324846.7626 1060513.002 290713.171 1087385.613 292340.646 303478.8239 413536.5634 210435.6081 269751.5865 214794.9948 418063.2495 218380.6136 256774.3251 286830.5585 312091.8573 4671338.684 2161768.873 225364.7639 462916.6659 217347.6236 222957.2806 245202.1142 826109.1146 637436.7814 827048.721 246943.733 196644.068 855924.7879 253085.954 816206.3431 252296.7695 632896.0385
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate 312938.7595 280294.5641 417551.5644 460377.526 27210926.65 27525101.73 122120.7994 70016.33132 234783.3157 186858.8446 189380.887 265417.5525 23955428.33 27158866.66 15268270.69 13998488.2 88145.62728 133201.4385 184757.9094 187922.1345 1048543.463 834593.1861 365015.0378 370315.2715 236902.0554 266542.6197 12807848.88 12929141.87 404741.0209 356551.4009 573091.0475 548872.0943 219037.8291 194063.3904 150351.381 102257.5289 10380678.45 12466143.02 101548.4349 163855.1126 145535.5224 152021.9837 14964848.69 15054004.45 100956.4493 84152.00097 97220.63061 158963.4998 79140.0926 69002.65301 148219.6622 118383.434 13562289.29 12500472.74 116448.4188 118953.7314 134664.4146 142596.8503 779635.9752 244048.5304 140699.1726 136634.5378 33712203.03 24972671.58 79656.68283 110543.9014 343998.3418 382994.8848 2654322.229 2219417.386 8103411.559 7329567.788 283432.8377 242557.9766 402674.5965 423883.0536 6693975.361 6241086.699 15530458.2 13864400.73 211361.7479 65783.62975 76290.31386 80220.8519 129760.5691 123638.6166 74393.20649 226718.0517 4487382.111 4887312.928 4406959.209 3930453.931 3585930.977 3654468.886 3435675.059 5860069.323
d-Valerolactam 1113054.899 1510448.156 474641.7879 1423110.068 1581585.719 1400042.095 1235460.412 651602.6271 890673.9437 815741.3601 3238812.366 2151786.838 2178447.351 1865755.524 1255736.161 1221312.447 972496.5669 1723664.974 1248144.719 1285039.642 1958543.077 1793454.985 958597.5209 806776.6743 2712447.96 873281.7011 940821.366 781145.7132 1172697.378 881748.8548 1639992.267 1144003.3 892471.518 1006261.997 1250248.173 1017969.572 1554618.495 1417727 1643911.179 1386347.573 2126436.447 1043933.419 1524683.043 1377773.754 979909.0374 986205.9448 911085.2803 1327467.36 979040.1057 1252609.698 2055746.702 1956595.235 1607638.784 1268110.147 753911.1476 430289.3273 1539222.235 1345747.111 2730432.149 1707383.453 2845167.897 4168892.437 10944705.26 9797474.242 1151222.731 1097011.431 26897262.45 23434679.36 1724192.891 1449948.418 40568338.82 37126327.31 1223696.893 1093628.304 1705579.34 1999187.507 4717764.47 5040505.984 8842526.009 9081462.76 373154.6362 208586.0524 2125855.498 1099936.895 554885.4526 1559653.371 1851714.613 99442.76454 1949598.179 4252886.256 8080682.235 5951909.636 2611365.206 5584576.346 1902058.669 5445706.378
Ethinylestradiol 351007.0037 321064.3496 218483.3559 160899.1952 66305.39317 62832.88409 222990.1339 174115.8174 64658.17887 62028.38635 700216.9115 387284.1393 83910.88696 95683.1817 178746.387 142951.3239 207882.2 228930.0074 117867.8351 118534.235 436547.5624 334837.4404 187936.1579 203395.5622 54646.90701 60585.29134 100266.6514 100126.0325 49322.97227 45694.8341 55225.29749 80858.28899 278059.6023 236385.5272 32797276.34 30453385.08 45770.12197 52305.33895 325354.0782 330212.5648 1165637.823 1248166.784 545896.3705 588115.546 166221.8757 172200.696 49893.99504 56298.70871 359028.1063 343448.8972 100655.9942 98490.50348 323647.3009 310989.8928 126952.4073 124791.9506 1070343.394 866916.5298 425536.5686 720052.0924 4487820.264 4333075.222 415148.4782 308212.7675 136332.8272 248876.5844 76238.09081 84439.58572 148298.4314 144083.6007 515863.0459 440507.7007 271131.2865 162418.1633 193290.0667 193490.3761 2328927.715 2637831.581 180227.9908 140771.77 41018.11417 95821.58917 31053.50328 31290.46355 90050.64595 31353.39338 33707.81206 68604.64804 1658629.656 1529978.618 1443320.037 1414528.984 1225280.465 1109729.565 1035027.802 2272187.42
4-Ethylguaiacol 562290.6767 381854.4167 856467.8283 548266.8423 27354950.54 28312457.56 933264.2143 1036944.323 710911.3463 744246.9317 4394828.445 4376584.26 32383942.39 33179480.83 8943919.138 8771796.15 1025755.071 951469.8866 1311743.542 590729.0009 871294.2727 847494.9229 4749011.662 4769966.904 498638.8597 349824.208 16987744.4 17684361.98 554654.8711 563763.5311 708445.3929 459288.3979 2233086.395 2143746.109 1103615.974 963422.1325 16058290.37 20707735.37 1043196.621 1107974.891 6017014.311 7012234.415 20804412.19 19691884.62 979791.9505 1068478.007 1299789.013 286022.1541 1122272.903 1180012.485 1162293.034 1035238.82 19092126.03 18284450.82 1445856.475 1381066.906 1406221.418 406219.7959 4069187.461 2039299.217 975976.2292 1016376.194 29476651.95 24550914.2 1015117.55 117981.0746 861640.0414 824307.4868 1910622.243 1780108.034 13329693.58 11507364.64 6033171.557 5542668.731 558247.7164 453342.8105 3498137.312 3631986.171 11895733.88 9778389.559 995656.6597 959172.1105 990573.8671 874975.8831 703488.9568 819652.6835 790467.9961 1360323.334 5327378.312 6799826.791 6132440.424 5300919.669 5604511.08 4815730.47 4643898.05 7318223.011
glu-tyr 6344093.636 6660109.74 4481415.471 4355850.233 6399805.222 6559048.018 9075188.425 7360630.896 5644863.098 4609226.335 18496505.72 10119672.02 14565011.51 15462520.15 9120816.522 11379824.72 9695808.499 13399056.99 10258125.02 9494621.068 12281182.7 10243891.93 13780580.07 13915558.26 16499244.54 15991318.07 8452633.946 7346021.13 7761267.013 6783069.681 15886191.29 18710522.08 12764200.56 13310129.01 13110041.23 13000411.24 6076797.081 7384243.497 5077423.44 5236900.471 13752630.4 14161325.37 12591444.39 15826201.92 7757239.351 9141924.066 9793197.95 8932922.479 5608622.318 5516980.566 19233808.43 15193793.3 8488472.877 7678185.02 7419277.991 5833073.786 7164346.051 6286257.726 22103336.26 20261179.97 36907167.98 32614178.73 19222999.72 17399883.76 10518219.7 15189425.66 9976512.626 8489771.761 7601648.753 6348144.958 16273792.66 21009137.06 22544184.21 19260542.15 10159695.16 9874174.536 19406785.66 19764543.66 9674069.869 8969605.264 133769.1255 32828.22886 25894.0141 23754.47337 21692.76801 24440.74702 19344.88334 31610.15779 10492462.7 7875404.848 7684012.08 11592794.24 6628765.419 6417229.854 6367279.441 12146268.58
Methyl undec-10-enoate 2383462.51 2365570.508 1818342.867 2114533.619 1972906.786 1728811.535 1939701.027 1756788.519 1725320.852 1527423.679 4723666.326 3964104.538 2911118.645 3096900.05 2699381.764 3375311.728 2212926.777 2182023.244 2061859.409 1958573.703 3381801.636 3746176.542 3274431.881 3143864.312 2839340.198 2798267.254 1684757.839 1831108.015 1471272.702 1786809.999 3191761.755 3788303.16 2748519.546 2954663.413 2524843.12 2913183.575 1811175.744 1772523.842 1514993.491 1661851.341 3189144.874 3293656.324 2350349.29 2906450.928 2095572.662 2211999.628 2084293.625 1972607.934 2075648.859 1791881.54 2394944.904 2524722.487 1828068.84 1876317.713 1896751.037 1906378.973 1442473.025 1445812.682 28460176.18 2781596.931 3308688.636 3354645.071 2332145.549 2796578.563 2505941.537 2519498.764 2235830.726 2566704.093 1628589.515 1642885.825 3863104.08 3808266.432 3875637.187 3610977.057 2159685.436 2390116.267 2149798.48 1892480.467 1611566.114 1557637.398 3462140.683 2954827.706 2525884.266 2486026.446 2241575.318 2005995.26 1952429.658 4095394.542 3672817.226 3550332.22 3302958.868 2886791.335 2545251.953 2523531.17 2306935.838 4575033.2
Tetraacetylethylenediamine 8661101.42 11498051.25 4748876.961 4826067.67 6953297.202 7352913.326 15667067.39 10564450.37 10866858.06 10794256.83 18026735.36 10680338.58 10122219.49 10100584.82 6127955.689 6168607.468 7251602.754 9565880.012 11307355.35 14578301.15 7824369.654 7465447.233 7587306.095 8146161.551 12723987.54 12234216.89 5981517.836 6468793.609 7987962.011 7918404.521 7234377.187 7623337.416 6765091.973 6913611.606 9113916.081 7352984.802 9112276.215 11542327.1 4712539.587 5230333.174 11368219.96 11160645.93 10654903.94 8136595.596 8788519.459 11922336.47 12530483.69 12015035.62 6386528.764 8911258.027 14769747.7 13350670.86 4948932.583 5844847.658 8560650.068 8353015.069 7874307.157 7625309.373 30463185.6 26436210.73 25278146.57 24672963.92 19660155.08 19006141.8 12795692.87 12775076.81 9966258.498 10385563.08 14268840.83 12828479.89 11954407.85 11320395.98 14265116.2 12852713.67 11346915.52 11676720.65 16271961.9 16297441.62 10901101.8 12200250.17 140695.7821 42780.03054 40679.54416 43680.07082 45122.11798 65883.27675 55411.49861 114058.6141 11704660.13 9941443.94 7550605.677 7205313.547 6844838.784 7183383.674 7358114.565 16933173.54
Shogaol 98560.41164 123017.4963 180579.0862 50272.25494 357104.626 342620.257 589718.4101 512779.7306 66521.88259 48866.63567 267738.4032 118758.205 584412.9035 526311.4016 128326.8724 116065.9767 646485.9937 579733.6592 144462.5446 165208.8139 315010.0269 222621.8767 616958.8859 625151.0738 59511.75763 61361.79144 348447.1139 337190.5825 43944.42872 47926.94024 76382.30972 80811.60646 756714.3802 679672.3063 31521115.4 29653872.16 204952.3857 309413.2516 174711.719 179430.1859 134333.6151 179341.0727 909233.0676 817902.6478 398380.3096 437918.4654 78708.4691 79192.75586 71288.14685 74265.39712 89354.23159 87668.56637 651803.8022 499355.7819 359448.541 362541.5748 260403.5291 144187.3287 338312.9898 181891.5069 1642508.859 1514916.443 834846.1699 557447.4627 817458.8199 784126.958 134699.977 128446.7376 205557.4683 166384.8495 854686.27 656982.0696 1203340.11 1052147.725 243727.3909 265321.9324 1369896.279 1282137.396 193313.1399 131764.609 41166.17537 111364.7395 81419.72582 31213.14762 79816.87199 70041.90604 35888.07562 166300.2931 1970241.317 1698479.803 1502927.793 1527450.8 1298358.621 1210037.509 1124518.56 2623716.301
aromadendrin 133127.2332 99700.8938 85736.61717 62485.08163 83111.38834 78847.24716 70162.52177 56476.99045 88058.09744 75958.9835 197797.7702 110216.768 60897.70648 60316.90549 39588938.9 34226268.98 111157.3442 121979.7993 147091.7065 158781.8226 44772.67084 38700.25863 34507.86272 31816.20035 39145.4886 32155.16234 31541.09379 28294.94593 21535.21573 18936.63367 48238.9692 49889.11795 30802.84353 33426.02387 113356.9516 98287.24804 25508.05902 29008.95156 25724.17934 18088.33539 70533.5382 80374.08477 41473.69968 41309.57301 26500.02937 40011.18324 116504.3911 83623.65826 110005.1155 111123.4277 185224.004 117002.9675 36036.8285 59712.49893 75766.39757 53533.03162 110319.9535 76625.11022 196444.7941 149440.4231 45564.15205 46766.81966 66353.73259 55013.45879 31513.15588 29966.44384 35824.23762 31464.11923 25137.59165 25483.10779 56400.25992 58260.75399 52227.0376 47440.12186 30896.44837 26656.90967 29707.51013 28473.23759 28236.09089 23582.5964 90026.16649 25979.07231 23474.57939 20128.94936 19070.77922 16440.58359 15197.95192 22766.49856 64761.57015 38150.09104 63194.06803 59723.54178 31252.15478 21033.19755 33806.20759 67940.75438
NP-014287 1092154.254 997003.4161 1329243.028 1469254.815 32256293.92 35451977.24 451688.9637 373214.9138 268741.0777 289501.2906 843558.6266 533573.2122 20453984.74 14932840.29 13971292.72 10938063.52 320442.8045 346184.2148 163434.0932 258568.5252 1880640.51 1246116.982 1585737.522 1765580.604 372457.4637 496650.4653 17476837.24 14956903.35 1570933.936 1356468.635 1554267.564 1550609.969 704848.7486 706490.2999 300727.8368 352058.6676 8506417.596 11926716.54 528107.7533 616498.786 880048.2439 826108.6578 13668760.19 14260043.34 264089.0643 276065.1356 247921.3417 259426.9584 262258.1785 274344.4018 376022.4928 534712.3975 16254839.79 13437671.6 280143.007 410247.1545 1109878.916 1005158.235 8151813.022 858094.0997 343665.1163 464462.5162 26244932.46 20032582.7 284554.081 378394.9774 277013.0023 335823.0195 5844196.742 4544058.219 18359547.58 14814333.29 1170795.765 1027186.307 1276902.519 1219488.407 2553116.815 2189943.568 19184464.91 15050455.46 249293.4881 400763.6419 331649.2274 225899.5247 230511.002 233831.1662 264589.6008 635743.9164 7210630.471 5734173.88 4789880.422 4505335.181 4050720.078 4035613.326 3957849.292 10628781.77
(2S)-2,3-Dihydroxypropyl pentadecanoate 325054.0246 464839.902 625679.9676 559404.7835 18350929.24 18373303.46 337572.1095 314432.1745 441888.883 287452.7619 198267.841 303571.9076 24761341.56 25693025.74 7332206.758 7115040.54 308058.3106 359325.4237 246282.8351 214430.5586 599266.3834 434051.4017 413793.5544 365547.3464 142644.5827 134308.0365 13195752.38 13850749.42 975550.6951 748665.6661 833177.8367 683485.762 386781.057 447513.9769 488157.6352 320678.2465 8535503.393 9511626.668 560936.8458 582735.8842 257898.0782 401652.4364 18708139.84 18835177.17 282259.8531 291474.9637 256759.6267 244920.8496 292178.6711 291291.9816 291685.5093 259376.0973 11465892.51 9988015.748 376365.0951 385343.0874 646806.3138 417134.5182 3874237.432 678241.0515 364874.9785 338611.6332 22173135.83 18420757.82 311922.336 219025.0731 216298.3732 341125.592 1117319.402 1098333.025 15332815.09 14117625.97 641260.4852 907210.0429 406332.4934 561198.9262 2093726.029 1793846.363 5855655.671 4897896.853 167369.9344 72347.23743 179987.8757 114240.5347 211336.4679 222649.399 255432.8127 1154900.349 4346721.714 3511930.286 2659195.932 2602568.915 2316546.436 2556363.365 2239976.003 6453587.771
N,N'-Dicyclohexylurea 1728487.523 1958656.213 1887690.765 1847193.014 1604190.154 1780233.945 5263249.397 4079030.001 1634670.733 1369541.566 27211886.88 15584147.83 3651214.555 3686044.719 3387745.591 3146345.208 2686252.167 2626027.959 570624.8872 600815.6704 2545894.529 2073514.877 2281447.992 2180497.295 3074913.037 2507151.869 1738076.938 1820605.34 2141874.32 1803171.648 2966976.193 2847895.505 3431735.063 2962422.22 2919138.49 2526293.041 1504847.759 1944118.623 2015194.518 2085361.878 2788673.738 2623924.849 1709371.019 1915909.295 3040503.108 3261611.626 1687677.086 1564961.306 4029105.394 3959883.038 3362255.615 2801473.833 1662593.112 1607449.464 4903313.96 4247343.923 1961963.183 1648416.654 2477559.584 2998734.215 2692921.431 2573473.619 2009525.814 1488506.34 2030080.581 2049360.641 3534792.122 3475427.254 1935958.448 1824913.731 2068451.469 2017478.687 2683249.609 2452150.536 2469346.2 2246556.476 2393561.248 2200883.109 2026300.291 1525940.798 91594.79918 38893.66372 60684.65205 39023.24398 41212.50459 49023.7669 55847.03871 105008.6549 323359.7096 259626.8482 255693.7815 272927.2087 273189.0432 194971.0025 172154.7565 424537.0812
3-Dimethylallyl-4-hydroxymandelic acid 1769838.225 1788539.847 1857565.054 1677460.399 1691235.01 1600635.862 1949892.644 1743949.408 1887269.094 1740710.585 2413976.968 2267298.402 2183784.347 2111347.314 2105750.648 1908236.611 1860103.777 1810860.263 1756128.3 1712383.156 2169134.827 2075043.716 2005194.72 1739091.954 1860397.617 1920040.944 1458078.298 1254246.645 1555885.63 1457730.619 2211551.836 2275987.298 1651184.137 1617496.004 1435720.99 1459917.492 1464539.835 1304279.665 1544557.402 1726908.354 2312897.64 2119967.263 2038411.256 1886137.265 1840317.745 1798924.758 1827956.279 1785792.377 1734751.088 1726001.719 1859005.787 1955668.196 1786963.89 1719116.303 1499450.965 1619018.682 1810759.511 1757102.784 34678265.45 3711963.267 2063898.887 2040792.547 1585644.974 1600445.932 1745842.345 1663981.114 1600726.918 1671346.746 1485117.101 1416562.784 1945866.581 1732370.065 2128166.18 1919126.023 1474910.091 1624516.829 1437380.489 1468511.558 1362380.235 1427190.602 2899254.427 2443799.046 2087737.511 1810434.05 1664434.579 1791300.778 1761410.306 3576814.382 2416807.024 2231076.523 1876887.067 1646976.11 1591857.058 1698625.835 1530148.739 3089061.089
6-[(1Z)-1-Propen-1-yl]-2,3,4,5-tetrahydropyridine 540799.7687 529951.2642 740994.184 696409.2695 26447398.68 26218693.74 194465.9415 188568.1646 655732.1277 549924.0872 466150.5236 286171.1355 31182225.52 32376913.26 8678319.178 8360289.94 166908.6741 158820.7246 451283.4315 416106.8002 872573.5962 741822.9425 1151892.16 1169729.199 440687.6895 453208.2636 16461437.43 16762367.21 609967.1003 542091.3925 562827.8261 523084.6974 2376367.222 2112544.652 180362.9581 185161.4538 14680258.6 18609012.44 276226.6447 298432.4818 263243.6116 275365.2709 19546429.65 20981160.76 111264.8567 98091.5132 352616.58 302639.7301 201813.4967 206967.9868 215396.2534 196330.9306 18235255.6 17672519.68 225809.1367 233252.8737 408495.8247 346952.5446 120393.9433 234503.4309 138937.3093 168388.0198 29207619.03 23523566.46 161909.7892 172534.9763 621053.1695 575781.7091 2013760.849 1784755.862 13132505.77 11175803.72 6008018.961 5465601.916 615330.8097 527416.9531 3408665.047 3593825.204 11297450.03 9626816.377 98206.94072 96599.80504 110147.9682 134645.3357 103214.1405 96187.86375 108886.1544 168642.3364 5388249.477 5113884.617 5059378.896 5086325.627 4533665.452 4339182.124 4380150.844 6132860.649
cystine 5839994.393 13865038.82 3494061.853 3981856.468 2379116.923 2565967.9 5856095.348 4760243.687 5632605.507 9435043.251 12888881.44 9051024.892 6603583.603 5685972.646 13181455.45 11855277.15 9154173.571 16328179.25 2641516.782 11404160.34 5739675.964 5565366.866 5929262.675 5471294.817 10211271.31 11073291.46 4000979.467 5067238.956 4400205.424 8038711.879 9392377.142 8716890.271 10296373.17 9576551.635 10784836.44 10048833.44 5946857.426 5125120.738 6296798.882 7846688.565 7514807.72 6194391.713 8221870.912 8217236.983 5668282.998 6525993.101 4871416.364 8152145.681 5006328.223 9378514.135 1925023.522 13006161.1 6859777.333 7535287.845 6821628.542 15090347.7 7719450.12 7741710.196 18378024.91 58746306.74 8847750.26 11489268.82 3419594.481 7240227.02 14743515.46 9316985.309 4002997.16 5999841.539 11007228.23 11203314.62 8192561.98 8123159.919 15054590.39 10321553.74 12402434.82 13261794.52 8931649.074 16745708.33 6646561.057 11393343.14 100816.7028 31728.40111 31103.73761 33961.48278 37439.14856 41818.43182 49410.06701 183847.4845 8839643.513 7465608.089 9924753.777 10953523.7 5940497.824 7008383.407 4835719.242 14496871.16
Cervonoyl ethanolamide 163929.1011 230682.0104 54447.14337 64727.81439 78735.41068 94933.2255 155801.1896 161499.8185 6172232.459 4736371.745 240400.5782 196143.1343 236397.5871 101546.4029 348260.9324 371616.4375 208983.0623 156879.7853 10986533.23 10836892.87 21718391.52 17159501.68 118678.791 130206.163 65967.15877 56025.22977 5217154.039 4882353.924 247796.1029 173308.2639 430665.6697 384526.0003 50808.65835 52919.47368 8727595.318 8013225.9 148233.7135 215484.2822 13361004.48 12563314.07 47880.45732 107338.7666 22598488.74 28662639.23 228202.3091 225094.7499 45500.78033 46837.54988 94827.38475 111616.8255 74936.85263 87296.65613 13632206.94 12210812.3 227092.0084 197312.1286 83048.30497 62235.59483 389523.877 267827.3057 3249059.217 2703471.204 80948.0846 52515.75178 189604.9219 186446.5206 217035.6292 174336.1794 6150858.75 5307278.445 505163.5415 378698.2771 231958.963 208923.4261 8780157.164 7832495.613 2078950.649 2137784.744 52695.77549 50619.54948 41290.7098 34897.78409 35868.04909 37347.26565 42331.98457 34885.84734 36511.15541 81312.1282 3942608.39 3125836.16 2883211.345 2656955.744 2623612.018 2155174.881 2159845.678 5322303.667
Serotonin 1732651.029 1424592.914 3173306.597 2986224.183 10044040.97 10981913.84 7394204.903 193563.4353 3609291.553 430029.9046 303423.5988 302871.2263 11828806.13 14607065.68 22523587.24 19424853.45 2894264.787 2833900.729 1462174.434 1537405.571 660576.007 209331.0672 6021461.061 5284142.84 213350.8207 958387.2129 3971831.35 3612924.83 309486.8573 203749.2797 14084855.76 12846020.82 6669765.593 6049805.158 3083654.441 3650738.917 287597.8003 483762.1139 257174.929 308470.868 12379642.31 11944032.64 11364973.79 11084005.52 3831248.221 3721850.198 2248242.101 2575957.915 250916.7977 270411.1261 7946222.66 28113491.95 10158578.86 9707836.024 380427.3054 2056984.115 249504.7244 224744.368 10296668.02 7841927.188 2510746.048 516216.3054 10634731.85 7517497.023 11975563.69 13996269.84 6659286.721 4060338.256 324472.2835 307900.4055 3638457.132 305915.8131 22152044.98 18339923.09 1901223.616 2180136.333 5874803.599 4948717.75 252827.516 3247577.162 86674.13067 65703.81517 22069.0485 27076.68992 36268.30634 116699.7123 51413.7163 47691.97953 6450089.863 7087510.396 6382366.099 6832832.768 4416396.856 4311270.898 5117106.481 9576210.811
3-Ureidopropionic acid 10769175.56 18052753.28 7996050.409 6920563.993 8489761.457 10398484.4 10692061.96 8222510.594 2905118.781 4124385.647 42617068.73 17375780.96 20054631.87 11529865.36 24881867.68 19570977.5 19834409.87 28696632.78 14235150.48 5415454.93 3539025.726 4675775.45 26298243.95 24781449.46 6009679.147 12848889.1 12664154.81 15261479.32 5073319.667 3490396.867 23936899.51 22577624.96 25689982.7 21152808.25 9226404.186 3711230.615 4515202.462 9263685.98 8376305.81 6050134.283 22756462.14 21307359.64 28307533.55 20946708.54 12020052.93 15491138.53 4918525.83 14954024.84 9728689.306 10820307.7 17621330.72 9907413.805 11140880.2 8681622.972 14766807.76 12492525.45 2633077.34 10951653.36 18485811.37 14074100.02 12945205.46 3966109.977 23720086.98 19726750.47 19156612.61 28305210.13 3778275.665 4007413.357 5133973.764 7009975.175 39197222.85 20763076.88 21098663.25 25481766.3 13401374.79 11370981.24 25938963.49 2503677.794 18853341.75 13546558.44 4669758.351 3639016.312 2635654.939 1004684.779 1118801.431 1057692.21 1343099.37 736271.1717 19316257.87 13093091.52 13826567.38 17059107.23 9784169.736 10369566.77 9113792.712 20105907.7
L(+)-Ornithine 15652909.35 13502553.88 10983831.45 10148595.22 11483118.9 12594831.75 14643747.97 11468500.97 10803404.92 9253666.386 27693650.09 17667237.63 17544452.1 18309821.61 19608780.76 17023208.57 21040373.72 20901320.79 19210684.22 17533289.08 8317761.801 6942929.976 18202676.01 16619797.85 16478476.92 15628711.91 12063229.85 10597018.88 12463277.07 8836398.968 16638114.33 14721676.56 16165112.5 15258072.8 16391466.69 15590059.65 12927784.28 17069825.6 10831665.83 9639207.588 13901546.87 12789709.46 19530732.93 20276986.14 15501599.45 14922773.28 13944618 9913336.599 10663802.63 11094717.32 22369607.39 18867902.12 12427638.89 13962482.45 17808658.46 14771812.07 16634998.95 14361320.56 24771412.32 23077558.68 19174726.52 19749810.37 20039492.54 13304585.6 13069345.29 10779613.44 9053959.762 7627901.77 12392373.63 9662395.467 18696929.87 17054396.29 15989597.64 11278243.18 13678590.17 12195578.21 23757736.27 20942456.79 15691390.76 13811420.42 278013.1599 1533006.337 1447056.449 1905656.663 1524048.37 1368136.834 1273500.853 2448860.47 17133926.12 17052559.15 15379855.56 15385686.84 15097078.69 13529168.89 13279725.33 20648694.45
1-Methylimidazoleacetic acid 603770.26 9420767.789 286985.8579 411696.2767 4126909.829 4567808.579 9070258.565 8479473.113 14579763.9 12334734.77 2226783217 422953331.5 25458797.68 26968801.5 1756675.221 14433906.54 24354461.69 23114077.45 48068357.68 44861653.62 45012425.02 35788471.07 19074964.58 18501783.95 20101531.73 21559266.63 5910079.489 5504766.673 3225048.887 2590794.907 123654167 102928022.1 15421812.3 14557929.74 18912917.79 15545935.17 4266632.954 5084651.688 4491057.68 4125611.876 42100642.24 41133679.83 16802171.35 18070599.95 30839936.96 29818664.97 13584138.42 13435499.83 372571.8932 259243.0926 38240769.95 31856139.93 5939812.429 5397399.488 16131244.91 15248754.68 7445157.703 6983008.988 5004104.972 4983204.225 155290923.6 140055949.1 572429.9673 9712936.629 1159044.848 5429185.082 7311177.127 7343254.382 4227184.725 3710614.988 254836253.6 179423211.7 65320810.28 47060975.11 8855381.585 8304808.977 27994829.58 26567843.7 1968673.989 2141551.714 10811937.13 1771679.147 1893400.826 107740.7921 867541.3387 632961.631 478053.7238 24167.63112 3878584.36 1409095.311 957584.3624 802228.7085 688841.6023 5769066.388 4880965.405 5611680.647
Thymidine 12423592.81 12627439.32 8613108.065 8487876.064 10036870.21 9936623.371 8891628.935 7178842.377 10918363.55 8221533.336 24224720.9 13633171.62 15542582.57 17996468.53 16671978.65 15121417.64 12047520.85 11705202.32 13651842.2 12737005.98 22919635.49 17597440.14 18976210.23 19496363.07 23058242.01 23628048.63 8570480.225 8404703.39 11349990.08 9480192.533 16545441.34 15882631.12 21391207.39 23131173.75 13090789.74 13828861.81 13965935.49 17206647.92 19591753.09 19436763.54 16206897.91 15759724.96 15811416.9 15984637.31 7797873.704 8412185.947 10034020.65 10117018.93 10262626.12 10034754.85 16739220.6 13599384.48 11895781.2 10946382.6 8338341.52 7632422.69 15027907.08 11894904.35 34668380.64 29914164.73 23121724.68 21396081.21 18708099.39 13782489.1 12275865.69 12069993.01 13485299.67 11018484.61 21327436.17 16955559.38 20980797.12 18270892.29 15298346.67 13221737.37 23731026.06 23554555.4 17404458.67 17405788.54 12001102.48 10115720.42 211805.0592 90706.22883 45591.16312 93990.96031 78324.94397 96193.64858 96042.22421 160104.9088 15259124.33 15433827.94 13890064.43 12791924.59 10257057.49 9445446.683 10524149.56 22451830.69
3,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one 7460583.906 6339337.217 1468761.733 1356694.622 10293800.05 10607450.15 913259.8006 392339.9172 1824505.859 1299135.849 9400168.019 5003063.278 1502718.396 1277664.53 17850535.02 16086823.73 1080158.93 559724.8379 781517.5499 1315119.805 27978757.92 21074260.82 950067.3277 745428.4462 20527685.19 21004360.74 691894.6402 1388670.157 992755.5912 339823.026 14972331.71 13060943.49 543662.81 1173183.074 532044.2756 1055845.419 626729.8345 913545.2616 5469380.289 5579477.916 13523577.51 14520699.77 6444145.385 6690786.459 1071577.108 479927.2483 500729.5935 1059895.623 1317757.201 821767.1875 997775.9393 760032.0285 1317435.591 857953.6854 1733383.443 1775276.181 3202048.774 2323833.204 2243780.13 3571663.411 2526826.516 1908231.237 2210444.886 914928.8758 999016.0802 968365.7625 878639.8493 811281.5794 5463003.713 4081425.259 13872015.76 10821291.46 1852956.255 1859152.067 1450694.71 1938351.485 1080692.527 539391.5156 834508.3 1151484.763 1203258.655 1083847.211 1021394.376 930248.1839 775296.4123 767906.2912 734777.0731 1380599.374 3051494.398 3149244.061 2630154.963 2619733.979 2371911.783 1991664.456 2305890.45 3939454.096
(±)-1-Octen-3-ol 2147806.509 2014840.61 1729677.113 1866626.87 1750229.989 1647363.053 1920746.74 1997120.132 1627785.664 1622102.98 3097854.613 2805307.656 2109791.911 2043827.012 2326340.207 2298354.264 1942572.121 2094567.862 1835696.536 2171962.714 2549966.31 2630525.692 2374115.374 2350759.125 2164377.39 2366551.176 1594920.473 1821482.218 1812098.65 1729011.227 2358840.209 2755084.939 2378796.124 2396594.098 1994052.062 2183441.805 1714895.826 1840923.459 1756544.031 1726097.846 2303570.772 2365483.589 1865201.563 2063210.06 1829171.507 1979248.236 1900300.838 2360739.468 1748544.72 1920673.09 1939154.342 2178596.731 1656822.365 1653981.684 1872805.174 1852699.383 1678213.438 1800404.631 25684487.73 2561882.458 2358256.461 2590086.945 2079134.191 2369812.815 2130292.288 2288257.931 1998906.552 2306819.723 1915975.906 1892953.293 2547888.143 2911659.863 2624702.906 2773720.322 1950629.764 2161056.294 1826090.637 2009004.128 1909981.164 1671615.411 2445169.238 2518786.539 2382770.757 2295842.21 2246101.043 2255591.958 2246555.143 3058084.76 2845798.75 2832838.197 2553092.249 2554110.755 2365162.678 2273040.04 2311529.239 3227117.627
Muscimol 3873140.833 1408306.484 13261765.34 13019608.47 8152364.706 3177973.97 9656092.474 8286538.028 1959708.136 7782382.62 5710044.077 19387103.28 18056358.54 5538843.567 16569494.85 15990581.56 3318003.397 548530.0629 635168.6771 4262789.442 22376422.2 41822700.04 17926420.22 1765238.275 4294741.34 838728.5824 11794769.6 6737601.879 778496.2944 6678879.278 4999972.162 17171092.71 3271145.459 5261583.048 12732202.19 10985634.96 12792743.97 8016532.292 10712973.52 10797000.97 804748.8496 1041762.914 11836929.96 14303643.39 9355663.548 3126177.538 4766641.49 4081113.691 13982331.5 5395226.383 14928892.63 9022047.379 9586169.34 631694.6436 4467012.001 8792788.906 13268717.55 7365949.965 6332079.928 8800419.479 10536887.92 8570401.595 657319.9441 1044620.137 14342139.33 10244549.83 14354459.61 3404435.001 5260333.764 2632772.707 21987361.96 23916007.46 21592741.69 9057311.227 1394731.141 10587999.16 12752780.54 2871432.461 5606696.03 9048136.044 12149014.73 20387780.81 11924175 13924422.07 3071319.333 3511756.218 3120603.722 18206636.16 21311611.58 20014228.95 12711456.15 3462673.25 2481176.191 2481176.191 3032505.371 3556331.264
Ethyl palmitoleate 7358533.625 7208930.771 14477508.87 15867253.62 6052773.259 7241179.908 3868108.483 3658987.97 12488174.68 10279509.32 9809812.743 7753652.123 5230669.129 5958635.787 10826333.83 7600647.339 7939219.574 7469246.045 11356001.83 13778430.1 936077.6696 733889.6148 1049890.85 1228587.257 691381.2685 531756.1147 552127.2083 2455291.975 560802.2974 414151.4303 1465001.218 1085083.955 20555421.38 17465571.98 2664357.401 1116308.738 381441.8762 1090468.748 636639.6795 567513.9456 6734095.108 6346730.423 5305144.271 5289109.34 4096267.17 3013190.272 7196557.856 6214010.144 6945938.912 6637916.271 11380958.24 9003520.766 3848159.03 3100303.086 6236120.926 5590266.544 8733701.448 7678450.54 19139345.89 17372648.03 999871.329 1504466.427 604395.5395 1665927.241 723185.8417 995256.969 491626.7246 523472.9536 739608.3892 591491.7182 698173.8084 1380014.808 1286587.167 978838.6005 865963.5042 263388.9111 28305174.1 26747056.22 1306744.775 1178735.589 336135.91 317561.0839 237033.4639 162905.6322 149451.9769 131187.6786 196861.2019 256166.7175 10119567.64 6511561.74 5358766.655 5688971.711 5540439.521 5217022.848 4612295.089 11508370.47
butoctamide 14321298.58 14599465.95 17653376.85 16176560.51 16061761.4 13817001.06 14887880.92 12769373.59 13847667.34 11680975.23 20837533.51 15512165.23 19033914.4 20594200.47 17601489.17 12860160.62 16094967.02 17440547.83 13298067.23 12932616.37 805300.22 580852.3737 669170.0987 589843.7076 559165.0527 538869.7703 630407.5772 738390.9285 551564.4783 411769.7581 815964.6289 743872.7396 661774.291 575928.3089 582214.5297 492253.9789 324810.8111 469170.4244 551290.5576 469728.1434 15495512.56 18193396.79 16220680.17 16801784.07 15146241.71 14830500.77 16593382.39 13437881.45 15645720.68 14710221.16 15523579.44 12391597.88 15749374.93 15426947.41 13677653.67 12098375.06 14044199.57 12442002.12 32152699.81 29835003.07 826819.1289 643035.387 672182.6985 493254.2539 619397.4445 683202.0095 684792.9826 623869.1311 416303.0652 337834.5281 951877.72 898114.5032 732831.8569 675232.2223 602445.8602 491625.8991 559082.5629 549624.0353 661507.5274 520363.6397 167239.3397 214104.9496 197747.1815 195635.1785 181435.3845 175892.5054 206053.1412 494707.6807 9143886.426 8322981.44 7489264.391 6922013.597 6487426.975 6293177.044 6033970.912 13282918.71
NP-002322 518629.4637 403054.9445 594606.7599 505242.927 19358839.71 18264189.59 263419.0119 231716.286 190966.3915 188279.2184 610948.9536 229542.6627 13646670.76 13698611.02 7224175.026 6548408.372 254148.0819 219529.5942 264580.7921 208062.6054 1087909.191 912956.0187 1046052.802 954155.2949 321238.9232 364752.1828 11073804.83 10868542.65 706522.4267 546962.9534 1001757.437 837466.1065 374910.2501 370368.3915 957986.5789 1024938.983 7099553.659 8999380.897 310914.346 300256.5478 342152.8857 350341.1266 12940966.44 12400028.16 365831.3438 302021.3086 296818.5854 338979.226 249041.4087 313721.3397 276285.3086 278298.2539 10362013.27 9670541.265 385467.8172 307565.9492 294193.4571 227918.8243 1114495.733 882358.9138 466299.8612 494768.9559 23131338.69 16277754.39 350728.0591 288582.7451 339839.3917 321474.9377 2361448.952 1687554.532 16610292.56 14051899.9 454344.692 404362.3286 775910.5863 629522.0462 1543026.572 1813685.285 9788262.988 7976604.383 85243.79186 59196.09767 68682.32847 63293.40196 82836.2136 80501.08153 103063.5834 192943.0134 4305067.9 4072108.772 3795743.6 3384757.753 2830380.748 2656887.648 2780089.672 6735702.173
17-(Hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~5,9~]nonadeca-5(9),6,10-trien-17-ol 263032.3472 154302.3906 135558.5446 75052.74437 58286.13251 79626.17487 113687.0873 220000.447 77552.52249 91884.3789 297088.2517 158449.2841 82393.38814 87571.64571 124365.3543 280512.4089 126123.899 234469.4779 215993.8667 247583.4747 162783.6209 149337.6503 162625.3764 151513.1938 37803.85629 35865.3615 190559.0879 187292.1265 61467.74202 47945.70637 83887.41787 68858.07309 46379.51261 94975.63473 24997364.77 25400211.91 73565.54621 52472.93244 186089.3242 246295.0299 573529.8003 659820.9278 378213.6326 465766.323 38270.78047 104634.9259 104577.8272 70296.49115 209738.7553 263346.7939 154312.956 199738.6683 287101.55 209070.1814 154763.6599 180545.9527 916041.3526 661194.7903 653807.4146 587001.9512 1012045.765 798760.4747 236529.8754 177500.1583 91030.83866 118629.1801 109639.5382 95363.18865 198236.911 193986.2871 269470.064 216295.1229 133278.9799 129848.7387 203624.4424 201255.1031 837331.8501 733965.9078 205998.7994 147845.1936 41553.35262 29017.75905 29232.44193 31780.30885 41712.92624 36864.37199 42297.01577 92139.61276 1472302.121 1071510.641 834614.3058 1021797.725 741512.544 777903.2859 894745.2446 1963839.037
PEG n11 429110.8475 451863.6986 659272.8001 560872.7672 917889.9177 822282.3746 632489.305 475971.142 334918.2075 245956.6393 1601337.6 1161726.926 524724.5918 398110.4283 423122.0118 410051.5649 261836.0078 260025.5001 191181.0012 203889.2814 599810.6755 458922.084 509671.5607 513583.4502 435420.8547 492123.2246 649318.8668 718764.339 255995.751 256945.1728 387072.7391 352108.2939 428349.9662 346682.9666 1508371.956 1207960.816 349126.0499 395579.6324 347393.4803 320134.6154 292465.0597 284615.7068 646096.4394 441895.8801 314719.3103 214461.0563 479824.7194 579013.4172 285324.0434 270822.2167 831068.0332 725286.4067 346975.0224 326032.9433 481823.2953 413107.5515 313814.9018 254295.7669 10911111.77 5482009.004 2118595.148 2250108.015 812186.7668 618261.2026 193436.7193 210305.6426 351666.1066 295401.4254 172620.4202 230258.8912 746673.1193 553134.9437 459154.7987 354397.583 344497.4406 279159.0366 732425.6712 713714.6112 664312.48 716087.04 91889.68276 113596.5669 120625.2709 144378.7833 104789.1496 88984.10322 79435.33169 213495.1502 24213463.57 19554621.07 16468410.1 7893343.677 14144859.76 14028546.66 12710907.55 30017828.18
Atagabalin 182561.7428 180735.5216 225517.0469 244870.9904 27542607.6 24439631.95 100161.8703 82680.97797 381305.2536 286183.412 150427.7005 135343.0693 19297767.66 20494299.89 5566152.479 4630565.685 61573.42594 89219.30844 188351.9739 141392.7212 579520.6571 404793.3493 306725.7938 284538.0221 229887.7283 242055.9038 12216378.22 12661070.31 331883.365 289722.9721 255330.1973 296850.1297 129733.3044 123569.4806 186093.6576 131086.8817 7120677.352 8831492.872 89641.2877 77077.84637 106432.1034 128277.748 14251232.53 11555078.6 82136.9934 65413.72956 124591.3835 176108.7413 53014.7885 75009.41686 93673.86795 92921.01323 10330994.43 9901048.71 88315.32341 80895.0488 155412.3007 130229.0697 862968.055 280696.1256 84315.93401 142498.2355 25700763.91 19151863.6 88739.99761 118566.8474 343346.5884 343708.6307 976199.3268 863570.7235 6563344.624 5659795.748 298701.3861 296030.7051 203298.031 168693.2309 906615.6548 865782.835 6595525.455 6441273.314 202146.3147 60925.62308 106416.5043 93433.89287 76789.90524 109787.6653 101733.201 99504.07565 3753761.203 3813519.122 3323396.689 2823627.77 2943412.341 2758826.225 2628200.675 4782204.645
(S)-(+)-allantoin 12210190.53 14284530.72 6539048.287 7205619.802 9218653.816 10110540.19 14032052.02 12028791.97 8892108.952 11302655.72 15472065.82 21411965.17 11746142.71 12676908.86 7075833.919 7542248.87 11694149.39 15032037.8 15549422.63 14957577.48 11464830.37 12565435.02 14500738.43 14597346.24 23137751 19097771.88 7633950.38 7514788.598 6731818.052 7947423.142 9233299.671 8673438.544 12487959.5 13097686.89 8527701.914 10542095.98 13339295.18 13002948.81 6331436.319 5561495.152 13479194.47 14499320.94 11524092.44 12360627.72 10125213.31 13717383.92 14307539.3 12539696.56 9102299.21 9991873.132 15069480.32 13827412.47 6359356.575 6913354.052 9136463.923 9842255.193 9193060.066 9133054.956 13551802.77 19176877.45 25628508.12 26742479.62 21827017.29 26583680.93 12112021.99 12827443.37 9774934.491 9022852.251 13742318.62 18056111.63 13641358.32 12810330.25 16190360.18 15393720.53 14882168.77 15448907.82 16945508.06 16379465.84 14730607.85 16033480.94 134419.6574 63343.62441 34004.66242 31943.93749 36310.93866 28767.99068 29181.51665 90584.09674 13628531.94 14822617.25 14193796.14 10469242.95 10310883.92 9161814.141 12410107.14 17242841.49
LU3453000 19598230.88 13898044 17438077.79 10526208.29 10575125.99 11621477.94 12254353.7 13193326.18 11403969.51 11086872.86 20135330 20294907.63 15681425.48 14820882.01 14656115.71 15615743.59 13431534.62 15334271.72 17401601.5 19054829.76 14341350.67 16420392.48 13565903.09 14242092.61 16095320.27 20829664.01 10637690.9 12031542.66 12762911.58 12890869.46 20870783.95 22603114.26 14058340.08 16366266.32 15997329.52 20691952.81 14304814.53 12929027.07 12948276.13 12948494.95 17146315.5 10928922.91 15139187.83 12247523.08 15845052.56 18398006.65 16121349 13413592.9 17883427.2 16566244.47 18233585.26 19323024.75 12432777.23 9908840.255 13052333.26 14248012.57 13686075.97 15514411.14 17920734.96 23364661.39 27655034.93 22704671.56 14280276.3 16513431.89 16171315.59 13396119.41 14947954.09 13035997.27 14850029.78 16504496.28 17407888.82 17402814.58 20412322.66 9777146.234 16397302.34 17538511.39 21420084.8 25529917.79 13393849.08 16234821.27 155785.2824 271230.6401 42722.85499 286635.3994 307567.7412 298491.5981 286918.3866 382451.3035 18848162.72 15643456.79 11766323.89 19780199.19 21034862.37 20747646.44 9833138.371 18880289.57
2453103 11283581.31 11094602.02 20673456.13 20209680.31 12766932.05 13881871.65 12221670.24 11304047.76 23450540.7 17762542.11 20216952.33 10832739.95 15008957.28 14566002.32 23153461.97 21138177.78 17290733.52 16904852.75 22709698.98 21690558.13 4110497.148 3480188.796 4010023.811 3698070.731 4134270.616 3970359.089 3204717.468 3145641.225 3686401.67 3096975.399 4063870.807 3884645.316 4339461.832 3883645.199 3923803.431 3617378.86 2648783.143 3279876.297 3654133.122 3419691.388 17462417.76 16230998.28 11556007.35 12044006.6 12322249.39 13240639.64 13668510.57 13170822.5 14976444.2 14804074.57 19894499.19 15296455.33 10471836.03 9963761.745 13096191.62 11124414.68 14844445.15 11893913.05 29816532.5 29290565.58 4551392.399 4241254.595 3611352.451 2660555.674 4202694.148 3895951.596 4108364.067 3518761.813 3671506.974 3043553.443 4728973.184 3793050.483 4009354.008 3694932.914 4006238.926 3795689.91 3550911.316 3547482.535 3334755.659 2607400.16 1991417.578 4102219.796 3746880.297 3221936.491 2912370.794 2967854.035 2917888.455 5749361.161 17741086.58 16900345.16 15322759.77 15172055.66 13287726.09 12819196.83 12731611.23 22679292.65
2,4-Dimethyladipic acid 2490106.498 2732884.973 2222062.044 2680345.63 14765996.63 15272414.69 1728596.578 1188401.287 1512964.077 943570.3404 10030687.64 5725871.797 23487267.97 21853287.27 5902839.64 5198766.093 1162996.622 1432901.561 2588933.699 2776413.241 2967711.658 2716875.299 3111997.344 3042801.871 1986697.678 2332014.682 8871369.086 8961764.613 2569854.059 1859089.308 2447948.01 1534050.927 3845631.815 1809963.368 2798014.843 2752995.504 8384080.178 10413637.55 1904713.973 2158660.328 2843951.281 2983255.305 12364980.41 13646708.11 902986.2562 1119353.359 2545706.218 1379114.663 2275576.353 2655949.111 4062820.702 3271965.501 10296556.35 9154881.959 2925499.146 3014073.826 1841435.905 1773459.177 2515903.474 3784833.205 5692326.65 5830841.197 20549794.88 14967444.86 1460301.296 1660828.49 2282786.292 2430597.292 2003702.36 1803796.02 7738433.908 6651262.18 2446523.593 2344058.621 3264083.084 1823485.344 25831275.05 24858787.59 7222705.18 6144326.663 626453.1833 436692.3142 343920.3301 711760.0625 1526776.909 225787.3503 676861.6641 649896.8097 4670428.672 4380079.424 4415784.391 4197006.185 4053794.173 3588857.8 3355498.479 5661451.852
(2R,5R,6R)-3-[(1E,3E)-hepta-1,3-dien-1-yl]-5,6-dihydroxy-2-(hydroxymethyl)cyclohexan-1-one 13917865.64 13426095.07 12793357.44 12671052.59 9503104.486 10266148.03 14703777.44 11375039.41 13014060.69 10182846.2 20622710.26 12060631.74 14986186.23 15592253.59 15301015.5 14078165.55 14395544.05 14132758.53 13178416.24 12653358.85 7204819.396 6106826.016 7452755.439 7404234.038 6957610.942 6988667.395 3690174.179 3827313.107 4376669.056 4334155.433 7970866.125 7300084.741 7162003.845 7059269.686 5159824.05 4780352.158 3222779.265 4307383.401 4636101.008 4593326.958 17851876.41 17325620.63 11633131.53 3405971.161 13598423.26 13500204.4 14089027.39 12557858.13 12953823.89 12741341.53 15691750.32 12528152.17 11496249.36 10680289.75 10961939.74 9398907.659 13294127.09 10669556.94 25993421.4 24350511.6 7473858.188 7249372.812 4924066.886 3967166.804 5826097.395 5602375.558 5772483.532 5510976.469 5349962.582 4473213.032 6358997.675 5700526.223 7649175.02 7374927.041 5399914.866 5039740.514 4655955.373 4737215.667 4998685.321 4158782.214 1891628.545 2753022.777 2527219.701 2089981.91 1852293.593 1783542.592 1989233.804 4291426.729 11555962.17 10617256.98 9100399.193 9695656.416 7490152.259 7625318.233 7359955.472 16092686.23
MFCD15144952 17805363.92 16756953.05 20142945.32 18409730.27 16802640.58 18006816.33 19817178.89 16188164.6 19214481.45 15584824.63 23113103.79 13678382.2 20517571.31 22075793.25 22953965.39 20811519.16 19527832.09 19780625.25 19677618.38 18985297.87 1959789.856 1534381.304 1588563.825 1746683.856 1781173.696 1743700.652 1653027.492 1661314.032 1761682.288 1522352.134 1683131.033 1483971.941 2175336.721 1759267.754 1751400.749 1803435.724 1471446.287 1805697.768 1659171.39 1624899.36 21046791.87 21056425.87 19284877.98 20129068.13 18057489.66 18836118.87 18937440.9 17605608.88 16091943.97 17447259.37 22690688.2 17541508.27 19780124.6 18268081.83 16368380.71 15301693.97 18910436.06 15947834.44 24239537.91 24401429.62 1669897.561 1588094.79 1715874.12 1150069.213 1704822.055 1699355.313 2034663.67 1577351.663 1853243.087 1674617.941 1747642.987 1451117.856 1742347.852 1675690.584 2015909.412 1910346.226 6980875.717 1838457.503 1622408.846 1405823.258 643119.8643 1035944.828 980590.5283 960642.1207 986455.5139 730859.126 865718.7376 1168933.884 10990254.53 9764689.667 9923450.321 9929673.787 9397435.124 9239450.192 8657761.212 11944549.63
(1S)-1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium 278207.4317 327696.6099 4456079.384 3754908.934 6427280.202 7145188.425 6633232.665 4875328.443 4216091.54 265050.5761 521327.6389 4978025.601 7547531.75 357201.863 13489495.42 171346.0991 265365.9143 355077.7466 331993.8039 11334792.86 274900.6217 6005705.871 5090352.005 6165325.074 250866.8508 231000.914 118116.9731 39387.80991 269381.4024 4203805.575 6696896.512 4567195.364 4959131.887 5381174.465 5321114.02 4951035.46 47979.56752 4606321.859 4571242.57 4928363.81 88023.31672 389654.5629 2999657.234 12900920.08 117910.4895 6018622.974 3488328.068 3731780.597 291075.019 3432525.692 311068.8661 3235277.503 12408016.91 11977443.35 5060709.963 4591807.243 6950653.528 5503583.53 4611111.582 6428940.425 7754633.35 7742948.344 261665.7583 43312.21133 186145.0409 158908.5325 203658.3642 69195.06125 5799541.478 4006640.173 10103328.23 9535076.638 5550677.634 4731314.283 4958448.247 4975916.042 7044918.706 4168876.399 6003449.485 28515.80939 177029.4965 3412129.835 3063505.352 16961.65157 168805.2508 156685.955 22937.07936 5867726.204 21100772.89 19691806.13 20302723.38 21647978.01 17177558.82 15457440.9 14827315.54 28101734.13
N,N-dimethylarginine 6610655.343 4936223.229 4122184.404 4127740.017 5633560.639 5568689.622 9043353.634 8034500.138 6217676.459 5674561.582 15954658.39 8721908.59 7718164.577 7934385.978 6326301.964 5436381.926 7828170.79 9170786.406 7995822.09 7955993.493 8464380.817 6684726.824 9198747.637 8816047.813 11641161.46 10867019.62 4894383.48 5893582.601 7143408.264 5673981.212 7746286.403 7323905.74 9752481.947 9322040.653 7789503.664 8000831.45 6208512.308 7646461.53 5185624.013 5254683.265 8722170.077 9044841.833 8298460.643 8727231.194 7024087.212 7646292.965 8256276.803 7437595.065 5026789.093 4883486.161 12028382.82 9774850.954 3812717.605 4084385.441 6323024.775 5187975.189 7886685.322 6856269.075 12428952.56 14414002.09 17435537.15 19268800.51 14411246.61 11269280.81 10269743.05 9629591.636 7091885.123 6730237.012 12094019.08 10998330.51 12428552.68 9580057.632 10806517.35 9185369.379 9516835.592 11164981.37 11841906.32 14430157.43 7794348.484 8038831.402 96083.34666 28696.67128 27575.31857 29870.76774 30287.70962 33452.46773 37855.74012 77867.60356 8363078.328 7772513.13 5906480.673 5401344.972 5355572.706 5296162.294 5574129.005 12378667
MFCD00016472 5470713.055 4882188.205 5084145.008 5111801.289 5402651.695 5729750.846 5153144.713 4787750.391 5397715.147 4491841.781 10248494.6 6615944.608 8564979.515 8403248.16 6971223.488 6661499.69 5724386.57 6092319.01 5989200.223 5831358.224 7141073.89 5825242.463 6668125.917 6964404.245 6105153.732 6611648.746 4535732.606 5046203.683 5067581.197 4375050.115 8664165.69 8176801.841 6408361.202 6485340.662 6172841.426 5992936.369 5166260.347 5871744.554 5593589.331 5762005.041 6474982.178 6880576.545 6449991.817 6524490.677 5037011.762 4842760.389 5930580.247 5608776.374 5363686.917 4798292.298 6885689.72 5706624.349 5731771.558 5658132.945 5827243.166 4804674.651 4842400.504 4353846.618 30419083.98 11721868.4 6698403.548 6459036.857 6297785.89 5097564.902 4897822.493 4975880.079 4762884.399 4494680.45 4738896.453 3853043.072 6865762.282 7202348.524 8746781.57 7760882.869 4579644.801 4221864.344 5349630.121 5378847.629 5053527.962 4353201.182 1960124.528 1930934.526 1359115.841 1257323.917 1097237.382 1195894.312 1081384.221 2475185.267 8625203.437 7554764.856 6338961.075 5874522.618 6223741.61 5223905.892 5121264.826 11537302.56
Ethyl furfurylacetate 6725610.202 7039972.176 8286450.531 8194311.542 8004510.3 7422561.617 7224767.206 7965492.77 10707051.58 7638711.403 16103084.62 12498282.68 6629953.873 7223671.91 14797847.11 14330796.16 9715901.951 9978445.623 11123886.84 11140109.52 8788910.375 6706900.327 15622043.19 21931163.3 8524345.292 11471233.07 6054989.814 5818470.784 7415212.165 6155482.023 12558644.08 10510127.6 10777713.39 11059869.23 7022941.431 6936457.247 11936461.32 14529898.62 9256701.646 8226149.918 20376734.17 15650927.59 9240953.448 7422096.836 12203094.35 9328059.368 7991493.391 8423737.849 12415689.65 15250841.22 10283292 9645200.608 9379870.787 8644158.605 11573200.58 11049018.73 10862192.84 11567746.99 16401022.73 20163335.16 7772689.89 7099306.533 11451211.49 9427852.023 7934756.32 7278990.336 8801234.122 7734556.397 13474028.34 11410031.49 11305465.66 10331192.78 18743179.72 13431270.82 9457066.192 9391954.875 8926108.507 8718276.464 23112037.08 18663004.95 3596975.187 11291430.32 6162810.014 5443511.593 4889083.175 5043468.151 4293269.12 7899428.551 21154777.58 17341937.28 16054153.89 13416611.55 15505075.64 15710579.47 12089484.59 24018096.64
C8-HSL 256650.4385 257373.6232 947841.677 919244.0692 9852250.482 10574190.16 251084.0752 240086.5355 418423.2162 434105.4803 244816.3832 202314.5391 22154692.46 23897145.84 7184458.778 6492330.803 275797.502 326732.0368 435006.8003 454729.2265 1156747.765 956683.7665 2093856.873 2098751.193 278672.0157 317108.0349 5686665.924 5915823.917 450649.6936 378128.142 397493.0672 369476.8664 5264532.275 5059652.108 213722.7718 243435.5116 9186226.128 10955837.51 292065.4657 290373.3199 215349.5702 221377.5695 13456681.01 14583646.01 137798.5986 165197.9088 190916.9359 200530.6524 181988.4827 203760.8304 249256.217 205839.3447 8125043.229 7817968.621 427656.884 307683.3613 421425.0257 361535.0879 3540985.794 578798.3957 202227.8205 259194.6794 17125898 12322212.66 303861.9632 343884.1233 322571.2256 299289.5411 872619.4819 712258.3428 8413010.223 7858162.487 9257964.027 7862647.982 377068.1447 411526.8046 2001917.645 2036876.434 5582434.322 3956639.07 187594.3639 140595.062 164547.68 163863.2186 198494.4775 199484.4608 225404.4958 473985.0712 2845363.346 3302643.992 3081980.014 2976124.425 2549439.59 2362576.85 2117654.413 4020995.173
NP-008993 130772.5247 87540.40232 236449.5874 201476.6224 25016469.3 26097678.81 43527.63623 46080.23601 69496.7646 69518.34635 91742.68684 66034.70665 15446594.41 13690650.07 3500075.144 2697933.555 76142.88217 79836.91814 79223.0441 94594.88585 211807.112 151593.9343 140709.9329 227109.7162 51169.25131 46470.96874 8577352.465 8552568.845 146809.949 111293.4684 168193.2196 195493.6606 49935.86935 49148.68885 74525.87969 80574.58079 2017928.239 2488055.07 54749.07693 49853.21363 87378.75147 99456.36436 13613702.62 14278888.26 46228.12829 47249.20921 56919.05593 44528.19102 47130.96615 47366.86533 69334.15469 70398.77265 12064032.05 11311456.9 88404.20103 86174.94109 74024.58391 67067.16704 454105.0455 194301.5543 57910.51445 54359.99212 17675128.45 16176143.66 55862.71648 50998.24161 62572.83343 57149.74233 576990.4805 509868.4197 4581844.166 3603793.464 116851.8425 105965.4786 122949.8819 175678.6956 604068.081 566900.8941 3613303.023 3132941.061 39190.73876 33143.86733 35902.96557 37506.32068 38123.62988 34784.23581 37310.70082 79695.32544 3109531.669 2539018.284 2321741.156 2472725.625 1978019.295 1787792.541 1789912.308 4244994.906
1-[2-Methyl-3-(methylthio)allyl]cyclohex-2-enol 1467802.252 1351157.788 1247890.085 1225355.977 1201021.829 1348789.598 1313208.626 1326944.909 1200572.891 1229900.994 1723777.889 1694853.43 1425722.841 1403058.868 1486179.233 1561702.52 1242045.466 1267479.995 1203468.534 1252922.561 1600861.16 1735353.466 1596422.013 1558763.178 1596706.6 1654722.215 1225582.652 1259142.511 1209081.479 1211746.091 1607298.601 1671859.845 1555999.449 1576226.966 1332182.896 1423850.436 1170305.67 1100139.506 1222118.384 1252589.856 1614009.768 1615126.66 1271822.172 1392177.641 1228123.524 1316558.808 1112105.916 1247390.783 1305475.772 1285839.383 1430786.822 1472695.435 1145988.847 1124154.624 1231973.432 1226508.174 1255147.794 1275900.97 26932856.7 2257138.426 1660354.823 1834955.422 1335371.152 1482819.212 1567516.375 1498095.263 1346492.939 1417797.41 1211262.619 1303618.454 1675902.2 1617688.207 1651077.73 1618633.369 1297938.257 1311557.776 1282182.595 1367436.804 1211967.805 1154724.503 1904025.751 1856317.41 1730725.05 1482450.596 1381844.246 1409519.363 1335715.005 2480949.972 1618346.986 1654104.882 1377808.013 1447912.684 1271140.48 1267626.199 1107813.113 2112623.972
Methyl alpha-aspartylphenylalaninate 7738857.871 7522851.323 4704551.996 5007640.019 6198655.804 6543908.131 8835009.308 6337488.112 5595121.785 4881012.46 12046459.53 6918255.328 8811831.767 9436371.201 7664686.195 7133290.335 9775703.072 10047832.12 7657328.396 7500433.136 9370209.689 7709526.809 11289249.44 11205856.61 9458644.071 9409091.275 6962710.963 7413162.713 5594683.248 4717684.322 7666356.635 6718053.803 10823648.88 11464836.83 8643911.696 9309921.108 6722090.206 8904507.7 7981253.101 7911900.886 7545560.828 7665936.687 8822322.014 9887385.003 7493231.808 7990428.828 7629799.786 7720552.77 6550527.76 5995550.207 11326629.97 8706271.351 6818762.061 6364131.912 6330188.964 5965418.457 7575156.737 6505579.969 16653281.39 17443816.12 19867614.27 17912634.94 14315884.09 11361806.12 10807117.32 10573102.93 7707906.069 6669606.313 10780344.03 8634916.978 12075344.83 10290463.48 10780505.7 9167117.407 10172431.05 10160245.81 13570256.18 14003115.18 9296008.201 8251762.63 56209.39407 16206.48615 87158.37298 87687.32979 86151.68327 16184.03795 77667.7858 149051.2972 10307882.06 9098945.244 7756233.002 8153118.676 6456441.842 6444003 6269815.965 14580220.83
5-Benzyldihydro-2(3H)-furanone 1410533.295 1388762.692 1377564.17 1296265.475 1223770.462 1220116.103 1226823.084 1275442.619 1330743.683 1260539.104 1685436.701 1604416.827 1228932.522 1439479.096 1347324.254 1344266.847 1242722.617 1337333.307 1349017.937 1260558.7 1797403.759 2108635.962 1754463.329 1697798.1 1686953.324 1669184.733 1313789.634 1240197.208 1257553.936 1362187.67 1722904.635 1792226.277 1617970.85 1619803.134 1388591.722 1461366.506 1265300.019 1051867.913 1420411.448 1316450.67 1507622.631 1601102.571 1200197.864 1374112.072 1273670.21 1328916.478 1091899.801 1333233.815 1271390.325 1274104.914 1425276.573 1389322.758 1177290.124 1159030.206 1185416.231 1283398.841 1382908.977 1213769.752 23948206.79 2012667.22 1666061.367 1938284.578 1849042.447 1492608.174 1475101.216 1637324.365 1392991.9 1397724.35 1363318.754 1209806.017 1645867.485 1683522.848 1546154.69 1676398.675 1313620.595 1277031.089 1378616.696 1389790.817 1212298.259 1081796.873 2128296.928 1937390.956 1828946.718 1678434.446 1456933.081 1464292.122 1446338.818 1986722.512 1952406.36 1532129.013 1448717.676 1485353.262 1430421.805 1355809.068 1284594.639 2150186.935
NJ5000000 1188765.691 1139713.189 1749091.395 1027502.72 2487071.707 1330934.695 543539.7204 1536351.916 2515560.164 2152479.631 1626603.208 1025385.73 2848825.495 1012885.996 1398730.098 1783666.202 920976.7599 1578301.405 1286682.029 787604.8857 300004.9611 2012899.468 2138549.074 1004057.562 1820626.358 1666625.091 3178922.352 1701410.533 2339232.223 3355184.249 1483276.928 2617897.859 1233914.56 1824817.674 1219277.195 995567.5407 29825645.97 704543.1236 2993818.885 1340374.517 1823515.564 2015436.758 645093.6841 449655.1566 1231041.24 1272385.096 1410464.605 7280988.306 1798164.256 1285490.59 2068241.242 1847770.089 419775.0116 361434.9236 2293786.265 1523926.353 3688468.844 926607.2658 17731072.17 2299075.541 4915468.915 3287714.035 1245257.843 1549012.994 540606.8101 651657.6761 1896004.101 908473.8399 2846943.94 2535102.731 2646479.611 2037657.944 219224.4197 1159634.113 1004745.897 1022947.721 1587739.689 962599.9237 1131196.359 1968840.048 540422.6839 2811940.173 527521.3615 787436.6387 1666907.016 1155128.454 428741.3644 5023985.376 1702470.924 3562130.857 1587487.632 1925736.36 1365357.018 1552975.896 3562130.857 5030179.023
2-Methylthiazolidine 1229735.17 1397864.51 5024730.579 5355266.546 3445280.426 3339219.844 11069553 8974610.712 6184323.25 4728544.341 9537930.209 4869003.114 5442247.246 5295334.694 13159366.45 11756578.32 10074217.6 10384505.01 10174098 9435462.681 7531333.718 3731721.571 7067129.408 6449062.329 2628018.299 2657653.63 12042003.96 10801606.15 17526798.61 11828467.05 9457986.074 8109705.82 12438287.57 13518890.89 20243193 20481140.06 4330247.744 6563260.734 12330357.82 13490736.18 4692183.459 4659891.043 10769535.64 11236029.16 8706235.569 9642538.348 7985731.799 7232081.241 4730403.237 4479414.017 10770903.06 9961283.616 8929389.888 8198501.315 10535223.77 9733756.706 15712772.69 13646295.84 26603893.7 21200279.07 19575030.82 18680362.69 6891380.649 5134371.987 13535476.09 13517412.16 12085226.02 12177894.18 12406477.64 10062430.69 16037871.73 15106396.63 11343521.48 11698942.47 10286771.47 10290025.39 22961543.08 23289876.11 10378620.05 9088092.446 70977.53456 21681.56354 20053.82073 18288.92799 18410.85408 19327.59679 19069.96959 35679.7975 9757668.034 5886052.872 5695938.346 4871846.913 6227649.11 6679329.829 3975483.905 10996388.87
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 2979843.923 3149409.69 2719472.766 2953938.148 4221045.165 4029113.733 2981079.476 2658526.101 2742604.444 2237695.539 16283881.66 14562113.96 4841361.883 4423100.964 7858417.759 7060466.461 3255292.407 3068475.081 2892621.977 2550400.063 2361891.225 2474875.75 11459136.39 10927628.44 3300678.494 3445991.643 1511103.541 1719613.577 7552194.801 5981959.167 4070113.157 3585748.148 3524963.911 4068255.709 1817234.335 1577836.86 14642958.4 16979792.75 2026015.101 2068602.574 10427246.23 9436980.423 7999338.372 5855948.524 4721965.095 4360209.895 4618605.382 4513773.775 5749891.366 5885365.775 3541987.319 3117688.946 4003350.258 3848655.41 13778808.17 12510304.19 4657480.93 3956744.316 24730544.55 19799572.78 2096515.324 2334308.719 15695744.6 10238194.49 1874815.958 1736959.767 2583957.267 2634010.171 4186322.245 3925101.295 2689863.937 2785291.577 14231669.2 13702873.06 3875339.538 3759789.91 6398197.881 6423132.599 10579716.07 11134197.93 1143704.447 1357516.421 1877868.169 1487152.029 1331633.698 1282376.75 1199276.892 2807917.764 2810052.513 3595853.184 3081755.297 2060137.702 2581373.087 2034698.141 2009800.25 4323477.112
N,N'-Diphenylguanidine 9656621.252 9333048.193 14548228.54 12680988.33 9537004.418 10156874.49 2724780.127 2172851.488 17899546.31 14303706.89 1712547.545 1021905.902 21576122.78 21514957.75 7177588.491 6577885.243 1542730.154 1491771.421 3666461.675 3447489.288 15806464.54 12747943.35 8677125.199 8135060.423 8865437.616 7775624.532 16578054.83 17794479.63 8478351.321 6650338.783 3508884.017 3169695.942 2334386.74 2166864.42 1616810.289 1407889.23 3627583.453 4879492.914 1141820.774 1252680.149 5410785.497 5483838.101 5986361.216 5587614.124 1799009.985 1908388.773 5397451.444 5369162.037 10786377.48 10435314.81 3509338.471 2742723.578 11471362.56 11441286.07 697393.7256 628312.6861 7711256.245 5484405.807 7141627.496 6853533.307 9871502.17 8553254.788 6317468.79 4366518.136 1861594.491 1716605.75 17006158.15 13835461.69 3387241.829 2592384.625 3962234.879 3546339.369 1276510.388 1082179.055 2024485.528 2024504.866 2427578.123 2399310.813 5794067.229 4523544.377 62917.50819 99557.54046 89490.89979 73297.45423 65635.92097 49675.8497 38758.11912 118830.3231 6546883.559 6335920.388 5746091.308 5072182.723 5151214.975 4564347.604 4580232.581 8413507.395
4-Vinylcatechol 14629745.61 14033118.07 21508832.77 20195219.4 14602279.85 15688428.21 14921390.42 13564123.46 22517654.14 19958998.97 21931512.19 11466727.02 16324071.52 15353515.79 21855960.27 18917907.36 18347033.92 17071165.06 20971252.82 21495682.73 5603300.699 4477268.074 5262690.897 4932193.272 5335175.206 4930927.591 4633026.439 4709480.393 5108021.293 4268234.624 4957953.69 4885764.978 5462015.264 5318580.809 5329502.273 4542865.875 3517116.598 4642628.936 4509212.149 4263470.992 17158377.95 16175840.65 14314967.11 13528371.07 14441210.13 15165393.88 16662608.61 15442728.16 16671427.68 18131363.15 19271352.58 16440046.37 13209744.51 13074832.36 14025041.12 12888365.13 17317944.46 14012760.89 22675265.97 23667146.72 6329647.232 5282789.812 4306702.821 3095608.624 4845162.044 5052961.556 5290016.614 4653163.804 5118583.554 4164306.885 5294507.051 4834283.351 5151440.143 4499085.495 5295356.719 4514877.859 4490849.12 4572260.394 4738279.426 3481072.866 1724395.867 4134132.324 4037360.23 3302143 2946258.151 3176710.706 3303078.975 4875179.984 15482342.63 15383926.44 14636914.31 14745347.47 13341914.91 12792262.96 13295053.25 17876403.54
MFCD01111382 1106529.468 1400639.797 1164955.712 2076192.457 1084815.287 1261940.762 1979298.873 1145326.569 1571967.211 1085378.382 1327643.253 1341753.622 1309413.631 1109866.004 970913.3142 1178188.367 841287.8214 1072152.701 1594782.267 1240569.216 1363047.484 1512813.443 1108339.889 1148605.846 1150262.54 1167315.474 1021689.828 1253735.664 1649870.039 1507224.61 1512298.816 1483550.113 1040796.766 1261623.585 2065945.646 2599362.946 1429525.624 1422419.811 1831588.654 1296406.294 1524029.856 1532121.999 1246196.732 1220889.258 1174141.675 1004368.363 885096.6902 912179.0146 859487.8817 1069169.316 1129749.626 1082234.951 948621.2537 897450.3838 1101995.149 1354273.639 1747520.634 1198125.424 29787634.68 2790802.66 999460.9738 1244240.736 927947.6375 1413682.298 1374722.542 1147592.1 1242918.332 989009.8437 1380237.822 1219776.27 1379092.249 1515063.371 1973853.761 2231566.183 1245318.736 1880249.794 1286620.101 996410.8253 2046095.633 1257558.545 890890.1364 2137827.213 1212133.85 1176767.213 1747026.643 355575.3895 1728243.312 2690252.015 2013347.066 1861911.662 1693080.77 1002146.971 872509.8482 945894.4286 1544366.381 2961999.124
(1S,3R,4S)-3,4-Dihydroxycyclohexanecarboxylic acid 1644285.834 1690549.803 1564863.715 1530935.406 2130390.497 2246774.259 2488090.733 1528455.511 2663704.911 1327764.11 20867052.01 10486735.5 9827004.525 3362349.055 10779518.75 9831720.59 2140340.71 2098584.14 1795196.154 1647943.838 1637614.834 1440157.809 8538676.879 8572877.648 2237472.138 2506254.369 1546087.863 1849301.885 7056201.418 5692314.145 1990490.028 2058774.032 6994039.438 3770645.275 1139776.26 971001.1679 14091317.44 17145405.82 2718825.918 2993230.84 10040038.93 9598762.887 5607040.228 6282309.69 2563851.132 2664172.698 4019370.988 2153140.56 3818714.966 4513576.319 3091047.307 2404425.269 3564293.863 3268594.518 15036547.91 13430015.13 3944278.245 3395308.979 15889392.18 13897639.86 1349011.189 1698921.525 10819219.98 8092774.603 1039441.513 1205908.413 2502919.759 2696186.273 3972725.217 3530703.673 2079605.666 1704605.839 9527175.953 8182434.459 5905500.739 3394623.306 21886992.02 22607120.07 11964674.53 10413544.89 476542.5625 649377.9289 613191.4002 158037.5176 255739.3138 285827.4722 276610.0784 369731.3045 1801418.326 2203419.766 2043018.126 2176904.715 1938250.005 1350939.537 1662003.532 2454414.245
Capsi-amide 2339531.126 1930781.489 1573037.175 1284595.315 14896328.2 17249980.32 6313424.587 3595089.945 3627088.016 1722017.567 6053622.264 2785910.688 10095819.06 7767291.151 7432272.342 5455155.181 7728778.601 7605104.074 6294188.902 5435141.866 6670237.855 4216540.325 15381877.84 10044118.66 4596450.52 2631659.521 9353346.847 7532487.929 5281971.655 3080988.131 3528634.628 2975401.901 6248943.831 8727567.828 6167670.535 5363192.016 3089747.657 4357041.714 2689386.101 2749176.864 3716910.176 2117689.104 7034434.529 10767569.35 7951278.692 8268112.133 6255546.196 5930707.56 1599002.357 1163826.911 6609751.561 5144470.294 5213157.811 5390356.267 7384329.921 5967463.76 5676018.939 3856908.555 38407972.37 25333049.52 431233.5945 413675.3508 17402430.51 9404705.307 14468813.23 8489217.053 4654102.618 3025958.34 12886453.1 10229797.73 13303402.23 10117548.22 6778292.926 3583555.939 2379511.831 2608472.896 1032792.263 610323.1481 14713155.93 8980535.387 316969.0568 404813.5143 323355.8487 364646.9172 397354.3346 453405.2785 558703.153 1084303.94 8430498.636 7753562.314 6159787.979 5764286.522 5795789.315 3879318.162 4793522.728 14851625.66
Pumiliotoxin 251D 1863931.58 1365047.981 1445838.319 1355402.094 19243430.36 18948819.46 367457.7039 236495.5222 60547.01532 67373.83204 1026376.465 424257.1375 8160666.97 9741709.609 20398463.97 14612298.56 338572.9944 220551.7502 63439.70943 94710.41632 3899916.508 2079902.15 2135127.241 2174871.339 78254.60715 158591.9444 9236642.993 9354290.44 4044180.101 2055399.41 2647864.27 2328546.001 1463587.678 1620983.777 165116.6632 55874.54344 4020102.691 4766991.139 593806.8002 478736.441 783462.1731 679213.4256 8651302.545 8358270.45 71566.94687 90574.20902 74754.26734 109368.5265 38437.46852 39140.818 217179.7628 204771.7717 8627467.033 7625466.97 55724.7359 110735.1384 2511278.683 1852785.208 974471.24 97953.66088 56036.74084 37526.97522 18770032.38 16344182.65 79584.51941 99544.19971 73885.03981 54631.33053 9851537.005 7976982.825 10840594.73 7405755.382 1527793.321 927243.8687 1830670.236 1650746.864 4812212.141 3826607.909 23624245.93 23867444.12 40757.91186 59711.18095 31231.15224 45068.84109 35947.12223 33342.72223 38914.01118 83676.68522 4335875.512 4250077.556 4388774.282 3478001.443 3793813.35 2822812.788 2577775.243 6362012.949
(2E,6Z)-Nona-2,6-dienal 886382.468 1069116.746 2601269.054 2470425.66 3621059.496 3272212.472 1735850.619 1258953.442 499268.3909 419374.0863 2195658.721 1359608.67 5344620.994 4939689.893 5765644.266 5195860.384 1626561.181 1620493.851 2606976.424 2389447.865 1770503.099 1525970.528 4694385.249 4509249.574 270610.9335 350473.2861 2705594.016 3049132.762 4390770.162 3094911.668 1669645.12 1629011.787 8406438.67 8465847.146 2135132.858 2139114.74 3755467.5 4734037.448 3722673.615 3325084.89 1004375.541 933635.2255 2766676.483 3160413.939 968852.783 948324.9179 658321.6737 420314.2362 1117692.312 1039934.234 3328294.361 2691082.511 4076023.967 3610859.266 1111111.501 908038.3456 2178713.032 1653506.085 217084.7179 1006509.642 1026064.444 1009995.559 3989483.302 2648175.088 1487516.784 1540149.043 2415456.901 2316224.604 2105317.753 1754105.91 2598196.679 2109411.344 20289570.41 19149159.07 1881843.95 1468555.785 4911951.556 4909535.458 15136281.77 12604281.61 305418.3513 17718.03294 396530.3064 380810.2004 369609.8476 371648.376 15309.34899 615239.555 3962183.661 3229742.865 4895296.877 3209336.827 2983355.761 3012922.531 4244570.016 4117759.173
gepefrine 344551.7893 361336.9283 478682.6701 398694.2846 17246560.28 17149341.63 116273.9573 135719.4585 445580.3542 303891.1546 340926.959 191369.8644 20437669.9 21752716.25 5711444.484 5521834.022 85344.52205 97305.8146 221241.5125 283512.2037 589791.2736 518928.9055 732262.1464 752634.8709 317367.3177 276313.66 10716445.07 10862947.38 440789.6147 377379.4223 386522.9482 384688.9716 1454560.646 1309621.591 136671.4156 105002.3468 9551965.365 11812183.04 188234.5234 170715.0832 208335.617 243279.1692 12975727.32 12673559.44 60785.15697 74422.28793 226835.6872 202279.8232 124136.9491 128042.6581 142962.3758 105317.4546 11511009.23 11311339.64 189620.6881 146559.2349 270797.6121 218438.7292 127778.7871 152791.8891 124789.8045 145996.4434 19352751.93 15571103.67 132057.4971 97965.10548 385028.4788 388906.7883 1196019.055 1045394.705 9059215.435 7186269.515 3799314.344 3572931.373 432005.4224 334200.0705 2237515.671 2119017.696 6982153.727 5964563.431 84348.60575 115938.1505 46022.9716 49412.27761 55335.48067 30017.29341 48953.92793 107885.8726 3441721.658 3462498.778 3232501.255 3249859.535 2934823.831 2623498.093 2697250.348 4224103.397
Panthenyl ethyl ether 323909.7229 357965.2539 493407.07 498053.452 332734.1778 256250.2026 257599.5011 274656.6696 559481.209 470799.9349 886670.4005 841886.6999 480070.4539 483543.0972 564916.2814 500725.5382 406821.5252 360414.5197 453220.2991 358889.5666 657442.6183 694595.1355 449355.4744 474466.5852 417236.757 612902.1439 317112.3451 480409.1767 368155.6674 350664.1207 903397.5217 924918.3154 447403.6899 588659.47 528286.6099 473951.9233 273171.3071 224474.7537 275085.1261 320836.9872 532145.6797 516521.8644 616912.5982 511908.6756 465305.9875 422702.0974 611030.9693 344545.4735 296262.8956 364994.9867 419129.5755 405261.6299 192715.6255 254957.1127 317419.0214 327930.9983 346761.348 251614.0107 7600117.977 1345687.919 515692.8245 562811.719 690088.5512 572896.7317 407949.9374 468304.1751 653525.2724 675431.7574 441690.9141 394958.2617 707489.6052 734365.2017 630985.4515 602892.0764 501273.5735 505288.2327 340341.3846 376840.8816 294302.9469 593067.6466 589795.5206 419337.9599 492703.9044 422799.8354 363046.4842 478861.104 391566.7634 997097.414 19050850.63 16395089.89 15255052.04 14425526.43 13542303.56 12846368.12 11775896.45 23808577.28
5-Hydroxy-6-methyl-5,6-dihydro-2H-pyran-2-one 11832983.51 11706982.17 8899154.205 8615777.542 8646714.408 8989083.342 8442317.227 7246645.348 7515375.114 6179222.166 23353114.83 13899919.29 13067003.65 13527035.82 16558843.7 15380456.82 11472464.56 11911548.01 8985089.89 8932676.922 15067941.77 12707056.82 12602975.65 12540500.05 14479502.43 13448454.33 8591152.359 8387974.424 11598247.51 9725586.46 13572035.74 10882147.86 11714360.87 12016171.35 9112985.916 8542988.781 15303389.1 20384478 9512375.093 9954347.7 14160922.97 15022520.34 10419917.61 10084066.79 9025739.567 10423107.5 8045974.464 7124318.754 9193373.245 9036487.988 10624598.98 8935983.901 8294210.32 8121073.248 16378796.12 14087732.74 9682874.705 7982744.354 10884937.91 12414376.88 10415046.54 9653649.611 16642260.22 12403181.77 10933650.99 11098374.85 12426196.2 11087206.55 12688357.27 10998707.81 14725908.19 12329038.67 14609676.83 13492457.93 13744995.22 12163992.17 13984340.22 14839934.25 12859912.72 10291104.1 170002.3695 433120.0125 251879.5005 238703.4355 117507.0607 69704.5269 404603.4246 290418.0522 1332542.415 1350019.62 1505236.328 1283119.825 1266054.726 1140219.905 1156267.153 1592915.845
1,6-Hexanediol diacrylate 1122395.309 1066159.872 963555.5966 981961.2198 873716.7762 929363.0425 1010190.314 1146990.577 1061265.565 1062298.665 1517455.712 1668500.216 1090971.686 1180979.987 1215045.009 1176594.873 1107622.101 1082259.976 1071170.768 1015553.248 1661566.907 1635009.202 1328514.76 1237098.231 1409850.649 1300842.867 887588.6748 822736.7327 927614.8923 1005637.675 1598420.383 1473634.638 1284051.468 1174380.649 1231046.726 1246240.487 1042069.322 1079123.169 1215201.442 1295396.795 1228987.99 1232654.821 1124384.51 1054291.528 1031311.377 1024394.067 909166.5993 1080065.675 837668.4167 949139.8772 1039067.424 1059125.845 889865.7859 932961.0601 1022792.202 1198282.527 1018498.944 993081.5475 27582994.01 2034963.362 1591360.356 1374667.145 1139379.288 1158749.388 1070044.668 1104108.554 1164116.227 1263066.769 1042064.129 1055150.47 1433153.165 1489735.959 1557708.774 1479920.788 1114775.797 1131586.665 1129204.736 1071413.754 1004096.234 1007997.702 1921171.366 1496921.338 1295824.744 1239917.793 1103693.633 1083890.871 1026227.616 2182292.773 1514605.927 1292160 1082629.984 896085.8217 993743.5078 934050.1917 923360.2495 2026592.377
2-{[(2S)-1-Methoxy-1-oxo-2-hexanyl]amino}-2-oxoethanediazonium 734503.5881 1436113.918 1683155.95 1924323.369 22709749.9 22257646.3 884530.7549 592126.0868 1555604.817 1365367.149 2341194.474 1158434.376 15644007.59 18226648.56 13584017.94 12862539.76 1148387.238 1371613.582 1029081.213 1528988.039 3210137.232 2647899.615 2714773.158 2950380.038 1522145.24 2267870.194 8622806.073 9212166.907 1554627.304 1373853.207 2925791.095 3204498.165 1552711.719 2502928.324 1832567.746 2112510.223 6580862.884 7297570.006 1311649.974 1703773.159 1730609.053 2543633.6 9010013.285 8428871.529 789197.1443 1066619.941 1087162.655 1289771.814 905839.0193 976363.0366 1370934.673 1225756.379 10320452.61 9536349.568 635444.2862 820696.4372 1274130.265 1012517.31 3032320.916 2137786.884 1651099.516 2283358.392 17656841.67 16949681.41 1268752.945 1519807.281 1707106.098 1975844.254 3765585.111 3692556.527 3946171.565 5659280.871 2514677.86 2299253.428 2165470.317 2043469.476 10060002.68 9916554.339 12913313 11782999.2 71418.03495 828995.5391 2278419.709 2122867.174 1682750.192 2231763.761 2081976.933 3621579.131 5428416.342 5187748.351 4290228.919 4650018.664 3754632.985 3892400.023 3860552.723 7086155.147
(3E)-3-propylidenephthalide 2178163.245 2257977.232 2205418.809 2086095.539 1919824.761 1899156.542 2021840.288 2040424.848 2359092.542 2040755.693 2723423.872 2534301.671 2198996.031 2371324.076 2362191.722 2419780.297 2078865.528 2150288.287 2088388.23 2035104.65 2380891.118 2390929.531 2440614.861 2503144.052 2582379.875 2642424.151 1901960.887 2035104.401 2078813.732 1966645.258 2401156.491 2765494.858 2248147.496 2531126.428 2113811.027 2158983.044 1869839.571 1795284.269 1952399.509 1939144.652 2491974.455 2432924.681 2161260.207 2204097.047 2074078.552 2133070.966 2060674.412 1925711.504 2079372.068 2277178.614 2382119.46 2151659.553 1917228.255 1966971.339 1909292.177 1971693.098 2348106.851 1975030.947 22234618.66 3582815.434 2424420.906 2552354.402 2059014.664 2213345.866 2161329.27 2186460.364 2103020.851 2119933.681 1840986.762 1904490.559 2396225.605 2387979.142 2467000.349 2433804.596 2121615.012 2255516.525 2008929.562 2003048.475 1844822.983 1729132.604 3017092.05 2918552.714 2646482.657 2468320.064 2260934.326 2226393.292 2192696.982 3612460.734 2658359.833 2578749.232 2708517.704 2398315.555 2177715.884 2194440.222 2146446.981 3216062.705
1,1,6-Trimethyl-1,2-dihydronaphthalene 762885.155 830630.3389 751313.5721 691171.5939 727234.5584 730718.035 686682.0589 836934.6303 699760.9219 761296.3567 1206446.66 1280666.063 800546.7372 722703.1151 764185.7907 883633.6986 635784.0676 717102.1883 616409.9082 671062.6337 1064710.85 1319887.564 874957.897 962350.9287 985050.6665 1016431.326 628212.1067 684924.3842 663097.9162 774760.1315 1205851.375 1311956.918 987968.6102 909797.394 1122348.293 930954.9368 737404.9251 777586.5826 781727.6008 817872.1369 899170.7117 935009.8654 832137.1617 733815.0568 743821.1643 689619.5091 652761.6461 747122.0897 744027.6128 755581.5974 740100.853 849184.0797 707792.48 653048.4754 849034.9731 868059.7808 675553.1072 816386.5034 19560102.51 1409481.03 847780.8632 1076442.256 799066.208 800582.945 753600.5161 913684.3587 1033169.566 992145.7415 815184.934 21354730.08 1011037.481 1044853.495 1123932.308 1091133.88 804323.4041 679392.0326 672096.1535 728283.6915 739655.2085 914081.0652 1356159.545 1260975.644 937886.9751 861405.3623 786271.9554 831577.2948 740229.9516 1360431.956 1074956.383 918816.9885 780395.9788 718884.7888 668318.0118 813460.32 730778.912 1205537.377
Sorbic acid 11525494.52 11533076.9 12113505.66 12166495.03 11691894.66 12413817 11883485.89 10209618.22 11849216.57 10664481.62 19992202.6 11945876.56 13260745.1 14225378.74 1273356.647 14933360.71 12942605.34 12393888.74 12951680.62 2220318.827 3621368.845 3102599.159 5161818.154 5057061.688 3749356.379 4122274.224 3126419.658 3382832.094 4808680.088 4329211.897 3908242.236 3294262.577 4121261.941 4784239.808 2883101.159 2981544.721 8672522.797 10791681.17 3182497.182 3395357.331 16026460.27 14538836.72 12748106.87 13723207.13 11462721.57 11027135.02 12357868.45 12013721.96 12459238.07 11927765.38 12793344.42 11088806.79 13562144.12 12391455.8 16013610.72 14128364.86 12050155.08 11324403.73 18271512.99 18959489.36 3413053.617 3283474.684 6320390.294 4356814.166 3476104.2 3374030.158 3939393.87 3852623.441 4870952.703 4285578.724 4105996.162 3223692.331 5000176.084 4575724.728 4106323.377 3767569.13 5068185.65 5299303.707 6989795.277 5725206.062 674579.2821 1803697.659 1673559.809 1638509.25 1504179.046 1441374.038 1300557.607 1708484.657 7754383.64 8048276.891 7676795.052 7478551.233 6953071.039 7088803.157 6552786.829 8926775.363
N,N-Dihydroxy-L-tryptophan 3032805.439 3615667.659 2310069.344 2596016.101 2408348.519 1958720.655 3943676.675 2334054.507 2551489.435 1744910.6 19667783.87 11548815.5 20386073.78 2685962.637 1451750.579 2357216.941 1259722.012 1705989.007 1140860.227 2283661.739 5282809.246 5454308.302 4208146.072 5251324.028 2361056.328 3559846.909 1526740.373 2158308.233 2108681.254 2744393.467 2043143.892 2641045.87 10686094.87 2407368.104 1647879.101 2908660.515 1314936.36 912566.2935 1423054.959 1827247.64 2698759.188 3762970.914 2279785.515 2987211.857 2103723.105 3095694.951 4378251.659 2311480.57 2020346.526 2404421.529 1728345.067 2605332.014 1213627.403 1562464.377 2165501.176 2743733.84 1061722.65 1170312.41 2192319.604 3116899.146 3114835.5 4994965.741 2587142.635 2511215.944 2506582.39 3696854.195 2581037.831 3062644.523 2879158.863 3160553.027 1788532.317 2532472.967 2226370.426 3228906.138 6467967.982 1770326.191 2567297.603 3652335.426 1049350.529 1639831.607 104387.7228 204772.9048 143016.9228 118552.6231 134453.4213 117812.1273 132844.0999 284526.2513 3139403.397 3304411.294 2894106.385 2919047.537 2373791.027 2109339.727 2202606.733 4280655.278
2-Aminonicotinic acid 3173188.846 2701815.151 2429170.104 2303462.185 4109773.74 3568240.449 69953.84209 98702.76332 52488.73562 46064.76028 203997.4608 129946.2263 10165862.31 7864797.795 7029666.377 6945737.635 5661197.011 5612923.688 88079.12442 91966.33473 130126.3522 137727.9972 10507823.8 10576853.84 95283.52943 95967.46331 13393726.71 14177402.46 66368.85276 61031.77281 10089817.03 7177686.56 123534.3528 103905.9605 183102.0809 131744.9492 55891.54109 63085.04831 54180.83849 51802.96455 9327833.463 9904399.586 4172782.184 4194526.71 587981.6019 91939.49079 83385.34416 75044.15627 2098679.033 2277050.913 130043.7492 111229.9439 7960919.89 7866545.762 6972477.927 6840775.19 61268.23209 57134.7006 129241.2743 84604.81907 155342.687 160145.9903 5020152.766 6257685.617 2149965.487 3276591.083 95726.82124 92561.75475 78962.49006 75528.65146 22788798.18 23127205.79 37116668.16 499040.5205 108799.5905 103676.6331 122695.2057 120069.8972 75806.07733 56022.09678 1850410.639 177283.7259 2596841.664 110882.6479 1577087.358 1405898.053 1307757.701 1915947.49 3359452.283 166673.3797 170563.9529 136093.7413 2328774.694 2148430.698 2424439.353 3296593.778
Sebacic acid 1115933.571 1637122.149 1755649.502 1458821.108 12623398.19 12194947.2 1698741.901 755039.7862 986559.0214 1469448.767 9171513.272 3428257.594 19381990.14 17963238.96 7023674.518 6182518.793 1715217.528 1257908.814 1784606.952 1608854.106 1551722.84 1258028.664 2588495.906 2476409.425 1977294.016 1426470.117 8292728.198 8756479.929 4867079.446 2164438.695 1484688.199 1659205.703 3621013.509 2033488.867 1932312.446 1919569.212 8067308.619 9577029.153 1851550.063 1717036.033 2396070.571 2236996.908 11262323.82 11924107.98 928113.1691 920080.3269 2495286.392 1776744.399 2152387.914 1937738.604 2960980.668 2954973.767 9446705.739 9098660.08 4169893.707 2964443.689 1699311.744 1175467.64 9051777.166 4621652.149 2936404.934 2724278.583 19557751.56 12172251.61 1416508.084 1553088.065 2514219.123 1892494.98 1482447.679 1407896.474 7652290.476 8151230.173 2801442.501 2420110.443 3506280.399 1737549.407 14430623.63 15853133.12 7711703.486 5526649.203 1083368.937 917127.9569 1376235.25 483846.9406 1241766.29 1006491.527 1543667.153 2211518.197 4545253.349 5680830.335 4974301.876 4206416.44 3514900.913 3705475.555 4281619.783 6198138.773
2-MeO-E1 434227.3077 464837.6017 222920.2578 175984.5769 138573.7498 166237.6524 297625.3398 227522.31 134182.2997 135223.2503 1074727.461 549566.8681 273447.4948 250700.6735 423209.7406 307725.1669 382908.2132 379083.7707 278489.4127 244302.4343 580848.7532 440474.5704 195069.2624 212415.8391 86629.71918 119299.8406 169908.1202 162445.9386 93498.07833 52069.87692 237371.4976 250951.7299 241978.1344 232466.7037 18905263.31 16062625.11 148718.6327 157519.1657 638676.449 814769.4059 1018548.642 1019279.039 1679472.609 1753425.131 275727.2863 284353.4932 149339.1292 128262.4139 199614.0078 179412.7355 248581.5202 192471.4799 1487742.302 1235975.445 289089.652 260499.053 1173479.066 1087708.481 1010904.783 873528.922 1633323.097 1804284.366 1057787.425 767469.3368 236696.718 264648.4656 140312.9542 124755.6111 467603.7946 422179.165 340954.5555 300894.8089 527497.5225 472755.3852 672401.6096 711968.3208 1580529.598 1527341.295 842970.6911 644161.8964 75471.6884 45573.14362 32413.53244 36735.49507 45741.50292 39825.3857 46150.71184 92056.14072 1462582.042 1250091.205 1010978.762 918631.3216 825485.8998 869075.2738 810859.3786 2066914.392
NP-018716 1097564.342 1436005.52 2236453.327 2413581.77 9304302.029 8946715.825 2684145.105 1169098.989 1209545.48 850255.2646 6290614.86 4207535.276 20924513.04 13825430.48 3856030.307 3959948.593 1100952.788 1358098.662 2061162.237 2663805.937 1239235.989 1790360.399 2217558.734 2718488.95 1149023.219 1661960.314 5781311.819 6306997.786 2001232.546 1980752.484 1590663.504 1741424.485 5015918.727 2083190.551 3101429.315 3357725.476 5423196.25 6494399.031 2256845.128 2685949.472 1494333.453 1883568.444 8371593.074 8098235.32 879070.4081 1256658.908 3217713.774 1347790.953 1414832.986 1611487.726 4041910.659 3319922.049 7157380.366 6868467.753 1930418.174 2084666.978 1372259.367 1519431.389 6330994.902 3241394.429 1897897.805 2468776.242 10447297.61 7987697.086 1053416.973 1368879.538 2175203.982 2793131.928 1101292.012 1160163.122 5427041.236 5098544.439 2097938.489 2671362.317 3998037.275 2019955.17 8116247.639 9248684.618 5238666.386 4824476.445 460781.9932 619019.8112 660687.6165 788206.7626 691733.481 674055.3496 692809.431 1262310.334 3626646.06 3226858.517 2998222.65 2933796.342 2796038.031 2431721.229 2501204.388 4241622.893
MFCD00037215 8006290.549 7585267.374 6179926.227 6660228.553 10272154.5 10979287.58 6486331.264 7901035.004 4036958.479 3329373.357 5533304.017 4018309.553 13422445.35 12651425.92 9552459.867 8389866.562 8051753.011 11844322.33 4631490.258 4581407.645 4624217.721 4539295.909 12280058.73 11769596.17 6920629.157 7295572.037 10687597.26 11096640.65 4891780.708 4177500.073 10857721.03 11315222.25 4862893.719 5632345.671 6568666.012 6608762.284 3417954.422 3720762.466 2376891.664 2737846.307 9003649.696 9075145.935 15396277.57 15626006.87 11871307.48 13307767.46 6734763.385 5723550.907 7957948.433 7971596.578 7826715.545 6678280.693 7251593.077 6005158.29 9040560.179 8334721.171 3610029.096 3608343.023 9540292.976 11509371.96 15768360.4 16032050.5 13478696.83 12772372.27 14634711.28 16558453.52 5021100.221 4913268.686 4674140.842 4830239.519 10266748.88 9903321.013 14690519.98 13037659.86 3003688.985 4883562.918 8555949.705 10068191.12 4962724.603 7318269.082 113955.5242 54962.33512 36594.47189 48177.70006 33984.83651 35626.08582 67444.2146 77690.41499 10735267.06 12089681.3 9270479.395 8701807.767 7830339.63 8008022.185 8024536.471 16087820.56
ENU 4088120.508 4258348.142 2729850.397 3258672.489 2476149.79 2052789.03 5017219.631 4163956.87 5739504.224 6883356.075 9020876.313 9521867.322 6226854.68 5967210.865 7969374.523 6671152.729 7058466.946 9829087.948 14751492.03 14661234.14 1016951.916 950561.4267 1422879.029 1502096.861 4115773.316 3929854.933 3659295.126 3493476.702 3985524.925 3782380.861 8252754.462 6979090.882 2918351.568 2772473.89 10167931.36 10001459.24 6046848.496 5823826.302 1741606.766 1700437.862 5561037.311 4840524.049 3601424.253 3337799.575 3697239.925 5128710.286 4808670.608 6173291.634 4239686.47 5054291.419 18676136.57 12579889.45 5141177.412 5762173.134 9625592.998 10662199.48 12956214.66 14580466.27 20989995.66 19546100.53 4726501.91 5977184.034 7916378.109 8293680.643 3716615.172 4351989.988 3827265.66 3913587.271 6407613.202 6295394.229 12293499.4 12339215.84 9251768.847 9830670.613 13018197.72 13350221.39 9666556.857 10450430.51 13911303.12 17111194.26 64276.5954 42938.46307 38071.61073 18084.13003 49052.67728 56026.48685 31326.38147 35971.90476 7638642.87 6452761.398 5941794.799 5433418.264 6281942.147 6059714.161 6180451.507 8053539.23
NP-003399 46043.3644 74245.21053 41243.40376 42745.87131 44701.67073 46486.52657 39710.30422 37890.0742 83127.6558 50049.64663 49750.79796 50351.74284 47456.99517 43160.27977 55813.05316 52478.22348 68421.42608 52857.09744 107225.561 60465.53166 98716.97425 70364.79968 34021.17801 63556.81696 41107.75779 40200.44762 41034.02795 41081.6864 45042.18836 43452.31451 45481.4148 54205.02155 93003.10704 54680.80655 18568087.75 17415151.63 40422.57264 43335.48358 47820.39089 41803.27518 103106.3618 54381.56617 98887.65369 54846.09982 105707.5423 48186.37935 36455.29597 41083.03325 49528.7065 56944.39578 53527.06944 78676.71708 46379.25551 50603.02595 50598.14537 48910.92391 47343.01095 44727.19309 342577.6741 124606.8388 51979.22535 51667.17349 49838.10619 45022.28175 43481.43172 42759.68002 46459.07317 88650.9827 50930.09823 54563.56985 51886.58427 53659.49179 79733.58665 59532.3935 45242.07558 43559.67305 46783.30087 49196.24299 47860.73227 41361.92232 38127.45979 59112.3398 38291.15011 40964.55497 34331.45648 42985.45942 34855.74856 119385.2322 1046034.912 900151.7026 788123.8249 795644.6027 719053.1497 762423.0664 707845.2172 1274538.523
Norophthalmic acid 6772497.034 5092775.876 2564813.909 3323022.227 4452785.991 4239505.682 6178192.204 6426256.834 2469362.449 2529574.712 7365777.998 8410285.955 7339294.705 5707200.049 4745390.993 4996560.576 4251446.872 4703882.978 4463501.084 5112742.953 4901262.098 5134429.059 4273539.463 5298283.118 9040289.41 9286828.778 3179162.288 3661629.901 4327319.157 5644711.607 6143353.536 5596573.24 5438606.265 4243043.41 5818648.311 5833385.183 5869254.617 5753176.317 2629605.245 3172208.204 5228034.33 5588556.938 5466720.819 6279858.44 5181914.197 5741714.8 5413482.625 6268674.609 4043230.358 4008340.311 7746927.068 8005710.932 3173893.042 3422942.746 3341898.573 3897184.393 3635505.109 4718361.372 10579179.12 13638546.42 15998938.55 14954146.62 8357996.257 10017586.88 6077903.496 5953672.103 4147791.475 4734739.489 5674260.49 6608107.787 7062154.989 6109156.905 5332804.228 5695519.026 4992391.557 5534538.888 7667381.939 6389683.559 4904563.521 6110382.36 119805.3183 35101.59801 45729.48032 55220.08779 35206.68031 36949.72873 40161.78571 105340.9861 5847549.444 6148031.342 4485705.651 3955277.085 3691848.425 3956624.714 2968838.008 9449937.322
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracyclo[5.4.1.1~8,11~.0~4,12~]tridecan-9-one 10181033.48 10051137.07 11191957.73 10254678.34 9272257.631 10012693.85 10844907.23 9565938.664 10646770.23 8828392.291 16170237.73 9174311.617 12375240.42 12845534.62 13141698.73 11535464.65 11069707.91 11161878.18 10578852.31 10833960.25 9192440.128 7020351.702 7222531.883 6927306.718 6177980.2 6598160.413 5259447.533 5234678.747 6139555.903 5386057.807 7533088.158 7066360.04 7663232.494 6817351.791 6774575.706 6267603.181 4672358.557 5412693.32 5817831.933 6028301.962 13156886.62 13159660.99 11560594.65 11019983.53 10656753.31 10890197.74 11363910.35 10704172.92 9816569.976 9619933.916 12116954.14 9757887.832 11737848.02 9849636.792 9180917.09 7459817.12 11084438.72 9537011.713 21491465.23 22017213.96 8298528.782 8171997.871 6650307.359 4715894.786 6694522.298 6598846.73 6741191.827 6015184.008 6137913.097 5542579.716 7496717.486 7000356.79 7912995.72 7066236.432 6493068.321 5888521.735 5692763.257 5649146.241 5396834.977 4576568.437 952161.1953 1838080.498 1476654.835 1303393.701 1280877.427 1139755.039 1218476.298 2437578.884 10388691.86 9685263.5 7913032.143 7598808.556 7108497.77 6638818.848 6615701.575 14251149.95
Nootkatone 1154241.223 1155755.758 1135895.869 1162618.735 1055834.561 1001138.298 1010908.743 1079056.725 967778.8722 953337.3129 1701179.94 1725418.355 1295460.965 1436253.255 1327722.094 1286828.677 1097567.553 1145341.025 914709.8683 991800.4799 1734752.829 1642272.034 1456983.722 1323367.345 1255983.725 1451662.556 900268.2628 1012548.423 942223.737 882297.5687 1563398.073 1545287.423 1454679.788 1414372.163 1119939.882 1057922.191 1189183.298 996532.3645 1078990.071 1021785.336 1343474.087 1161780.968 1081661.875 1147462.39 1084316.582 1152457.078 813985.1413 1019624.067 1009475.863 968706.8311 1216329.866 1087047.41 914899.7039 965989.9359 1114734.235 1026165.082 1010626.68 981495.4952 20142059.59 2034775.102 1387025.715 1559635.103 1285944.773 1365011.893 1239923.419 1283740.023 1102827.348 1182948.576 1008803.873 949596.1407 1511941.774 1573314.451 1516154.458 1643142.304 1134913.913 1179667.509 1093410.568 1148250.323 1046207.113 954715.7882 1766271.617 1608571.353 1406225.35 1359905.715 1139321.239 963890.1964 1140748.683 2181027.415 1723842.918 1470812.746 1335255.201 1291180.806 1081985.388 1129537.178 1045602.312 2131511.88
Glycidyl methacrylate 1521351.932 1406207.001 1534575.469 376666.3487 12549382.94 9640096.443 9291945.093 7491952.207 9313353.542 7553989.325 16696990.46 9623671.247 21260280.52 17410151.18 19800897.27 16968083.32 14473099.43 14392977.59 13221322.95 11606020.94 2462885.904 1585288.724 2386653.007 2127705.405 1655055.454 1738799.336 1734371.031 1559057.332 1656089.492 1192861.14 2341104.24 2226225.594 2101563.536 1978313.832 2227188.107 2089334.588 1082536.011 1260142.568 1189947.942 1380715.985 16492371.07 16398446.65 15429723.1 17084152.3 12630608.14 12191605.25 10623091.44 10299346.44 5689274.133 674358.1519 13163343.82 13260583.36 13880062.89 12961028.06 9618633.436 8076668.499 8930170.805 8005676.106 13136549.44 11762356.09 2167133.35 2263847.648 2013189.745 1459712.275 2595194.651 1979499.803 2235256.79 1734058.675 1333307.352 1239341.891 2388926.983 2092899.647 2319386.147 2177139.628 1725557.154 1568492.212 1431029.14 1321917.386 1562028.925 1130389.901 220361.162 1151110.067 218347.9911 186442.353 171182.2403 62113.05005 1278294.538 1904280.776 8134423.523 5405047.635 5357219.243 3248978.362 1112442.316 874167.4132 4932978.995 7144849.26
Homo-L-arginine 4518620.678 4953501.781 3811611.97 3166758.594 4713870.184 5539476.573 4710682.635 4458836.241 4820918.341 4241831.741 9405789.065 5626073.45 9014062.384 8783250.432 5923765.399 6054248.14 5702217.45 6063911.607 6826010.605 7230250.624 4811778.931 4565519.395 4245624.824 4051235.897 7817411.987 7423903.948 3691938.372 3098928.701 3955000.315 3581459.464 6454827.035 5634628.367 4844462.969 4143870.718 7275220.517 6503175.966 6289359.963 6530376.755 4253080.03 5473130.032 7132642.304 6019453.601 10416149.1 9900069.908 5379432.108 6106571.207 8406208.099 7337210.068 4859482.124 5125051.243 12654494.09 10655702.13 6596483.664 6943787.833 6459655.475 5891155.807 7629293.943 7522578.777 14798662.12 15365305.3 16412992.47 13444951.17 8646959.997 6635527.859 8338400.499 7483269.714 5110689.753 4574663.779 11110991.41 10129803.04 9874932.313 8712999.315 9631469.573 8550090.413 10690866.79 12491794.06 12071789.9 13188323.21 6737013.941 7604455.452 86361.72384 25723.77993 25201.11974 24362.94709 25019.60597 25545.33088 27035.25845 50444.70981 6798238.254 6996168.843 5622704.338 5599997.3 4526898.601 5035318.439 4758546.872 9376674.874
Diethyleneglycol dibenzoate 859606.0618 927350.6807 698264.8677 850081.2026 739990.7278 676917.3061 883485.5479 1217579.482 431919.8244 579392.1512 3208504.97 3815649.258 781167.3892 858608.5824 1084768.36 1231466.567 559927.9658 657612.8804 506469.9061 568516.766 2179246.487 2025809.502 1104931.015 1419700.995 1821791.965 2117773.626 612921.7139 596677.0118 792842.6248 904178.702 2443438.205 2129249.2 906100.4813 891079.1806 703442.5802 873396.9242 1084062.54 1016187.538 971707.0832 1293464.804 977662.5289 1359373.33 1994114.934 1358947.417 1050714.793 767965.7264 831708.8314 893169.0334 677282.8362 804970.522 1122983.336 1063238.39 511834.2234 671981.403 829329.2734 1036395.861 495710.9575 608827.2891 22589623.29 1935355.235 809718.7245 950957.1113 880636.1601 1138677.089 735161.4005 776421.9098 1116013.209 1966295.906 478766.5763 518103.3135 1495468.977 1720117.61 1467314.427 2417224.247 725663.6016 776967.5866 767480.1071 806884.0493 644698.2048 1018913.427 4622659.273 2738522.563 1673812.08 1381745.835 1482406.114 1338527.349 1410960.5 3969870.976 1578079.966 1076540.636 952878.4953 643131.9276 661605.1344 791906.9485 711383.438 2067545.923
11-Aminoundecanoic acid 422818.2199 423329.7039 670494.5806 658529.3631 4731974.223 4891486.117 298544.4704 214740.3505 151544.8173 98721.88753 397544.5556 274574.2142 2656551.285 2577258.584 5427834.609 4937884.96 154980.2127 178506.7266 178757.02 172897.6274 2466424.02 2071684.924 2141946.249 2334790.422 137223.9613 150970.2757 2798718.903 2660941.015 643738.6817 545922.6303 656607.8232 481231.9076 6158677.917 5749846.602 184579.8053 194818.7522 1055387.798 1319304.07 325509.6377 287263.9754 350915.1058 361853.9527 2781507.078 2744085.153 111284.9573 104336.4613 194266.6235 124142.4393 76480.00493 70421.99448 157924.6239 180928.1447 2398036.883 2271876.422 117017.3494 131584.5714 319818.7964 280516.782 448733.9 342756.2164 300632.7097 334633.3905 3010794.575 2346311.032 211987.9771 215832.8671 158104.7052 131109.5915 1281684.329 1056085.921 1731212.073 1600855.453 17825003.85 17238656.88 668979.1959 511968.7035 2271990.065 2201226.984 11013012.15 9247243.171 44671.01413 43229.91967 45950.23027 62009.52093 27735.23095 35732.70062 30192.80158 83483.32094 1899762.753 1953602.966 1741089.559 1718463.237 1561323.393 1541905.526 1381912.196 2421350.64
nylon cyclic dimer 900905.4547 856689.6091 1532477.322 1411501.184 866456.8586 815886.1695 866336.1896 906546.8046 742215.0617 671110.5493 1515624.266 1375440.909 1051665.281 1435245.359 1159664.075 1249940.382 897453.8503 916192.1638 812627.1817 820705.6024 1258189.285 1442777.693 2178488.663 2086000.48 1221836.769 1260811.751 774761.9366 917768.0966 804344.2061 804552.6466 1379830.35 1280906.812 1079915.601 1149068.154 1025850.706 1050696.928 824710.8274 727860.4041 756444.279 1139259.474 1148695.525 1345226.974 900220.2322 982491.9343 840145.3669 909164.2065 824524.0587 825850.5399 875894.1937 874921.3239 1035085.904 955422.1513 904023.761 921721.4006 931032.0162 950888.9682 713119.1507 741464.2852 24747384.21 1947062.01 1310405.698 1234869.937 1152585.588 1233486.61 1154292.962 1056127.055 1045150.53 1065821.92 774263.7443 735288.8527 1399089.422 1331295.022 1398264.864 1378035.462 913533.1046 906372.8042 858750.2197 979472.3557 865894.8063 732709.8814 1408258.78 1310815.651 1286844.444 1131368.787 1044420.541 947622.9145 983459.3499 2340219.302 1415577.676 1230074.75 1133488.105 1111401.288 936260.085 776000.216 812921.833 2080255.623
3-Hydroxyanthranilic acid 7070132.529 7102593.714 5856392.828 6704195.258 6387309.421 8770331.085 199670.9938 133115.8145 8476484.534 7761338.956 7745936.293 5830865.828 7171563.286 7515403.179 6638865.137 6719451.472 171610.1429 144356.4267 8739349.753 8971675.315 3525682.771 2911838.343 89354.44238 92523.06684 11407792.56 10663734.73 6118332.708 6015004.71 11471155.78 8779206.259 9738609.107 8773516.946 59398.47724 40914.80172 8925780.569 9323486.026 7572088.47 9249047.57 3084597.222 3078693.132 7288642.183 6855849.443 11653529.86 12481970.38 35930.28307 73816.40466 9485527.272 8484020.728 12158453.06 8068889.276 12955875.34 12418028.17 6608251.934 6980860.693 35518.6548 35381.55163 6527789.75 6970389.18 15613505.29 17923690.49 12002145.6 10418355.64 18821503.76 13634362.5 131585.6266 118026.759 11928709.37 10240493.67 8334626.289 7579389.769 11340847.45 10142799.55 50813.62426 154817.3767 8693595.325 9226893.012 12236019.03 9997143.538 14731564.36 11662651.58 155796.6808 50305.14489 49120.17004 33225.32211 31503.17972 50360.07033 30029.2481 64040.2422 5735328.437 7687666.691 7732078.062 7754528.967 6555040.685 5351079.492 5826995.764 8161076.084
1780537 804278.1609 1091626.29 903997.1038 693803.4066 1203804.523 962073.8378 875047.0096 820117.9053 796464.587 834600.9818 1062200.459 1049177.038 872411.221 841934.7426 1034027.552 946000.2964 761423.3671 743933.0601 839734.3383 927073.2924 1062558.792 1284066.274 981052.0882 1041094.533 1080586.405 1119736.019 986361.5602 860354.6539 1268348.274 841478.6568 1068548.164 1071203.983 909523.9624 922807.3305 950222.0532 1135482.184 680672.7529 699299.892 807704.0989 943976.2758 976948.2776 957994.4848 927294.3161 894721.6922 1029395.772 947891.7273 928010.1756 751785.3001 949039.7212 879466.4331 898342.6321 913747.4907 822520.3943 686927.1096 923000.6255 741622.3293 694439.0825 933247.0061 21018113.8 1971746.424 1112984.569 1404249.538 850664.2813 994808.8694 1058002.901 922686.409 878182.803 890717.7676 869280.2042 937564.3283 1056681.272 1039303.677 1237733.297 996775.4818 839065.0262 822948.8572 855809.8284 752162.1187 715973.1769 774560.4614 1361903.324 1236171.56 1201626.658 1004915.39 1442102.549 945236.3453 985999.4183 1893049.92 1168831.04 975690.0288 946977.7923 799859.5142 890632.4453 765315.0377 701020.4146 1469284.805
4-methyl-5-oxo-2-pentyl-2,5-dihydrofuran-3-carboxylic acid 368430.7954 340154.7597 435443.5912 437800.6693 19002230.22 18813095.8 146734.8474 129818.8815 103676.1752 86795.87868 393589.2545 166202.5558 16144105.07 17308865.68 9911646.926 9550198.366 18867.39106 125109.4728 67959.30547 180063.6136 1150896.383 954350.7652 842095.0059 1012158.078 31110.2078 69148.33811 7342495.206 7425123.579 651415.745 572252.6479 797797.1832 758601.1873 451074.2725 412724.4881 107986.0767 124645.3351 4364541.159 5290341.973 130301.6425 83897.57489 234667.4573 323818.2051 9116031.816 9395769.936 111076.6367 96701.32276 39786.24575 148755.0341 127923.575 18297.66576 123241.5291 109582.4046 8455265.323 7729509.588 92053.93782 125974.527 239689.0044 209079.8891 554573.3995 258457.1172 121375.9321 102522.3974 17140398.86 13378814.87 79510.04785 81542.37022 127237.7621 81310.6025 2628549.691 2302620.622 2765159.241 2614332.946 1183736.033 1133765.17 590797.5223 598260.562 4036582.205 3892637.964 9696556.404 8365332.149 159574.0162 124135.344 14844.72548 102080.4597 113295.9571 97454.29846 14750.95485 23030.31237 3258579.716 3065574.189 2499331.737 2579195.148 2519600.237 2072030.86 2005731.204 4294330.358
Valproic acid 447960.3903 397261.6987 807650.2756 817913.2656 525317.2298 578875.8927 632616.924 549927.4905 780631.0927 847702.7452 425984.0336 252850.731 328483.2958 275707.2281 438601.4102 389798.8531 329409.9091 410871.8175 321831.3477 322385.7509 1032659.945 555310.9855 330488.2365 304941.6506 567731.5781 528405.954 528032.2218 511932.6088 690432.4858 552827.6663 238264.0542 274189.0301 279036.8542 269010.4508 363655.9273 378045.3737 330428.5873 295942.1205 385013.2553 458149.2977 653716.7627 719055.4123 467924.641 466371.3058 1381272.835 1350282.465 598461.6569 671005.1689 310026.7024 322111.3161 488471.1863 427617.5855 363722.9055 301745.5928 607109.9885 841689.8826 1051037.603 797934.3624 2814689.042 3220478.725 742645.5963 828961.9671 592466.8451 473477.5917 4395560.469 4607300.087 769408.7903 774482.5707 1019850.113 675667.9932 13175962.11 12746748.28 7715040.435 8857480.218 4312925.657 4273623.633 10480994.29 10207825.66 3535601.987 2985884.426 114909.8202 205443.5861 205913.4872 257360.9323 257248.2231 238614.6758 295659.2883 636119.2268 1806932.347 1229891.105 1098527.932 1108462.146 1000593.796 1131869.79 1127183.597 2414048.737
PEG n12 279837.8305 274223.6058 375108.6406 340235.4349 753419.4141 665278.7399 348957.1841 341524.9934 176316.7062 141151.5388 1080366.177 790082.3772 416499.0911 235079.081 416702.7708 281888.2278 158935.151 155140.2108 122597.9167 121903.4411 414204.4986 277726.9416 338277.781 378332.1084 267305.4888 321006.7383 496592.3855 423867.6121 125715.5086 148454.6832 214393.9103 171534.4191 325977.0336 248693.1806 1168666.686 928419.0768 224447.2503 278270.3213 223775.3599 235945.8377 178711.0997 185960.6263 521116.611 324946.6016 214977.3916 141381.1917 244409.3215 384986.7364 155107.7846 157775.0459 526055.1028 576988.3286 226216.0945 216304.4423 281779.4504 261983.0497 184378.6137 153214.9826 6612122.892 2902537.561 1672561.355 1683470.458 649234.9336 416270.7635 138504.6613 136631.3044 216749.8013 187276.7645 103072.2802 104508.0584 512471.5381 397605.9384 302757.9837 253204.8181 210317.5839 183967.6653 446032.7308 456715.9738 521675.0166 518509.2516 56768.72638 73487.84458 85176.91656 62489.8336 110342.5737 51722.67763 44777.1234 157109.1613 15017195.01 12231308.37 10094644.2 5110903.344 8568084.64 7498390.809 7568055.725 19172684.95
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate 3928743.618 3571294.592 2041973.621 2073709.372 3553134.583 3536185.903 5716699.585 4820181.03 3193043.466 2869347.936 5236371.243 2857781.165 6776564.116 4976928.842 5218164.104 3537751.701 5952900.539 6006021.355 4467324.586 4431989.628 4294560.057 2828215.026 7171041.004 4868024.689 4513821.546 2967296.879 3322792.209 3197635.461 2648966.31 2048007.192 3318129.282 3953191.899 5876805.517 6316806.893 7780793.028 7402699.961 2661599.244 4137749.538 3137333.035 2937072.161 5375611.826 3393842.827 4216247.224 4351488.157 7035562.392 6558831.739 2944865.214 3130908.773 2014512.127 2130894.896 5419328.116 4690365.447 4432418.125 3627344.886 5704611.034 4197323.676 4223261.546 4205943.365 9617975.37 8287538.87 13579784.26 10399073.76 6542637.151 3999072.875 4356204.633 4507279.326 2218929.266 1809057.094 4988885.102 3974987.344 4385137.81 3329648.045 7360238.134 5631258.714 3123790.156 3054382.879 5545794.644 4844933.774 6196520.766 4036601.792 47356.56781 90511.10336 92140.16761 107108.9193 109860.6232 106059.4152 126234.0098 262570.8121 6244213.12 5646093.09 4427454.545 4360770.073 3670356.086 3506569.585 3265317.747 10278888.82
2442 8539073.882 9238700.745 6931093.355 6304388.18 13553376.58 13838522.65 6008978.544 4698265.787 8023250.35 7008247.427 14025480.22 10405271.11 7300946.349 7625715.289 15603117.05 13346648.42 6362671.192 6085796.698 6360837.105 6361486.202 13945649.85 10957665.76 3185837.031 3185021.492 9381381.894 8410017.999 2391568.718 2294524.572 3612201.743 3455976.881 6514590.52 5531734.636 2462804.34 2256807.579 1405503.746 1451119.442 8543127.589 9975213.888 5375057.445 5570722.331 15521115.86 16117979.34 9773235.729 10820499.22 5446470.333 5528436.149 7165940.303 6709021.997 6846427.944 6573770.38 6715056.05 5594280.985 7709686.384 7596912.246 8279896.592 7210268.336 10652350.43 9335309.226 11808430.45 13549483.14 2752694.423 2621070.234 4083146.666 3104048.278 1607756.791 1585516.227 3264616.024 2882925.178 7545363.604 5972827.459 7593172.511 6676143.857 3125983.413 2882841.077 3315627.725 3258070.229 4331311.47 4487608.144 5900463.942 4668749.816 496073.6948 1122333.948 1197543.563 1041682.214 1059880.169 990281.4243 1166181.187 1543244.981 7716687.116 8027347.031 5937064.718 6115689.631 5901265.608 6060601.396 5805155.3 9615122.387
3-Indoleacetamide 9637126.771 10024655.71 10089909.3 10233094.54 8672244.551 9317824.255 12671045.89 11100838.72 11986583.01 10228961.08 2827825.115 1888053.219 5067269.851 6167187.835 7395786.684 7587161.31 11578136.9 10908962 12878897.5 12541946.91 3337842.797 3561739.378 6196221.308 6477846.161 4837283.012 5207653.305 10573520.06 10994408.34 11970699.3 11114952.06 2898558.586 3218317.876 8578438.107 9263470.774 8700353.451 8176750.379 8509772.804 9789165.821 12891894.71 12631253.69 6069953.982 6416247.329 8525279.413 8547234.326 10237664.91 11342667.85 11654808.48 11152172.32 9316814.227 10084366.9 11683366.18 10787964.96 10724389.29 10318454.92 12455012.57 11799973.39 14012461.45 12622193.6 1547281.032 2270175.64 4269205.806 4549698.461 7489803.368 6066703.856 10440837.19 11252458.27 7902183.69 6927676.334 11633263.1 10407258.66 3185421.274 2963354.896 3702327.359 4149865.42 10168183.98 9603131.289 15804380.72 15430512.13 12358823.68 11495942.96 419449.9555 91401.04276 66187.12201 57746.26189 49752.2882 44393.27446 40803.86304 55435.38615 2638156.673 5015757.325 6753815.823 9131355.38 9546349.583 9496020.283 10946755.24 4150329.658
Iodocarb (IPBC) 1621735.041 1823728.498 1544207.05 1487741.671 1428280.425 1390159.172 1496957.899 1566724.243 1424616.135 1441130.762 2494312.473 2576446.921 1839339.343 1869965.854 1927391.913 1898953.338 1594623.848 1508494.899 1659358.37 1484302.869 2174571.51 2262299.004 2092328.922 1969086.383 2108249.511 2075086.07 1444083.703 1513727.253 1439291.741 1465951.214 2343362.788 2563102.082 2068497.638 2029751.169 1730866.377 1882567.833 1507507.858 1467391.34 1540360.647 1634586.725 2037126.745 2292133.191 1811986.618 1908156.552 1454120.612 1638607.77 1508623.547 1590689.456 1556647.296 1521691.53 1847715.25 1833605.097 1412538.253 1321943.136 1439213.589 1526989.75 1677990.654 1652830.921 18730617.47 4944274.31 2129753.578 2190769.276 1682914.719 1841557.705 1831928.88 1878956.682 1678558.942 1963829.921 1568934.691 1512272.91 2285283.938 2189234.116 2580047.179 2459622.116 1644311.416 1661189.379 1597604.097 1610093.682 1398991.915 1347676.622 3050777.586 2512741.848 2402444.318 1809224.244 1756351.121 1956341.443 1694674.027 3202056.066 2331200.392 2027568.706 1915704.472 1899801.253 1603038.597 1509209.467 1535512.567 2941418.749
(4R)-5-Hydroxy-L-leucine 2486811.17 2661160.92 2093026.219 2565706.676 3644912.447 3856458.229 6013097.156 3039068.128 3237493.864 1932245.546 4871863.008 5956806.411 6697822.814 5970518.908 4022087.65 3950720.38 5335138.931 5452629.741 3952831.058 4775391.887 5687564.03 4454102.912 7522744.079 7480065.538 5055975.134 4623857.712 3834417.876 3678374.699 1166630.739 1883665.957 4231642.244 5418926.805 10249076.1 2136444.215 7846777.312 6566068.819 959673.965 2668181.462 4908773.919 5636694.077 4068644.862 3684697.504 5812561.816 7690287.389 4233248.897 4729014.199 4930525.277 3866885.99 3476330.473 3107333.174 9036027.058 7577390.733 4390872.622 4163414.775 4189063.796 4674428.278 4155435.931 3552996.169 7816919.201 8506406.305 11146954.52 8242319.828 10284533.88 7374733.816 4300350.827 5137355.726 3423875.985 2795842.103 4263892.597 4023012.412 4405537.004 4211145.257 4983185.176 5009472.752 5887028.612 7521410.894 3999642.756 16922907.74 8947376.109 7906995.517 122961.5914 43454.33551 152238.4797 157018.0495 164352.879 165583.9721 35198.36323 65362.91424 4384859.314 4146766.958 3949585.658 3532747.473 3851256.305 3768453.575 3193591.502 5281894.472
MFCD00130070 5374813.189 5357496.078 4666708.377 4754367.641 6369420.328 7653768.009 4211946.677 3769106.872 4302812.879 3387076.82 5444364.159 2987604.914 4778644.787 5030456.126 9397933.909 8140201.931 3633001.686 3848934.138 4270789.475 4389894.651 5755184.295 5306795.225 4791623.571 4695913.602 4003607.439 3633513.638 5113306.42 5426902.108 3708092.591 2997264.032 4124626.194 4174014.747 3792522.051 3982221.253 6587449.703 7924541.547 2727573.994 3383961.929 3194505.508 3176421.262 4673414.933 4954297.716 4243083.597 5651366.304 3128343.144 3767390.732 2888342.446 3323013.464 3515265.543 3243276.316 5435090.313 4494254.271 5394174.749 5167225.831 4239423.388 4336586.465 5625395.515 4672360.39 18589270.07 8592298.818 5786659.386 5902656.899 8297040.355 6738286.121 4272039.235 4145190.863 3858812.042 3582165.981 4851701.642 4820422.355 7371509.442 6444938.94 8140188.791 7181681.05 3345083.382 3534368.068 4069964.867 4268686.795 7203018.288 4871077.063 1284063.955 1910108.252 1731653.346 1546490.306 1503522.247 1385660.531 1503452.549 2708900.823 4825382.231 4393760.309 4195843.867 4603283.968 3751437.718 3763762.498 3578237.654 5763563.222
3-Hydroxytridecanoic acid 6152333.181 6252778.583 8407389.658 7840375.614 5450944.017 5382740.662 5906347.178 4653586.842 9609145.808 8011326.11 10259415.48 5514211.853 6427560.097 6216676.135 13703123.71 11895444.8 10182057.9 9834069.579 11143969.56 10752165.5 4181777.576 3213752.823 3661360.727 3630184.21 3776706.223 3703077.286 2885844.082 3352332.914 2980223.544 2427202.738 4148582.036 3532629.424 3656702.652 3634445.511 3563965.239 3291447.976 2063353.061 2786014.535 2925110.905 3091364.754 10807869.76 9503769.29 6487922.172 5851093.89 5710651.962 5652847.006 7019443.108 6283691.529 6643918.309 6675147.635 9693086.798 7851066.014 5894375.563 5360248.437 7030206.13 5262209.29 6487363.676 5325833.343 11337492.82 15172781.33 4020910.097 3729175.483 3235760.659 2233354.278 3798427.595 3403993.697 3587309.245 3094177.537 3026355.05 2568567.077 3858484.655 3582217.839 4956317.234 4534598.311 3436290.633 3056947.281 3049475.691 3252468.144 2700657.056 2286724.443 1610991.555 3391345.425 3342656.27 2580534.737 2661358.306 2913710.347 2713208.471 5480433.719 14169814.06 13911639.02 12070895.99 10819759.26 10863850.01 10166605.51 7696680.075 20237112.07
9-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid 2839060.38 2758687.749 1800155.485 1831057.755 1403381.926 1430842.345 2017354.231 1717169.924 787464.6479 530223.9913 4554263.605 2688274.09 2042152.003 1942313.118 2494191.645 2180346.178 2260390.161 2285136.141 760957.5551 691556.1153 1570762.95 1097087.296 1129715.599 1138864.776 386475.1347 403281.9511 560861.8188 654739.9082 249247.8653 204419.7638 444939.1877 336043.5707 1368467.051 1194400.685 15843284.93 15285622.58 202142.9172 275619.4323 1379897.583 1193709.749 3345236.235 3342808.639 2450802.664 2569033.614 1757537.724 1705259.828 1487973.75 1227014.984 1915492.686 1977869.175 1415810.926 1158280.902 2086812.77 1843718.003 1461278.531 1395589.468 2687491.405 2235457.907 3788843.355 4283703.104 7486975.894 8075134.904 772674.1674 606887.641 526884.9848 492205.3796 382713.5065 295961.4065 394907.4825 322796.6083 727323.7299 666303.71 575374.819 554582.0855 485890.2595 425597.193 6716062.91 6837592.457 543127.9062 521655.3167 91590.96019 217951.9461 183295.457 171219.1061 176021.2352 164973.1717 152625.2753 317902.5664 2768526.799 2609390.398 2254530.04 2072199.965 1962672.76 1935104.998 1814901.949 3665983.477
S-Allyl-L-cysteine 2540486.398 2290439.233 1966959.685 2044742.583 1551131.279 1592962.968 2846560.872 3016990.058 3390661.339 5367083.157 3500405.279 3551029.026 1864650.56 2060199.467 3303606.878 3324944.037 4071020.863 4161805.826 4896210.119 4958299.197 3323285.418 3154509.697 2987577.222 3229917.28 3224478.088 3263034.201 6056541.782 7305437.701 5620093.727 5724404.427 11992656.16 8939369.044 4384737.905 4811149.257 9452076.545 10880458.68 2879157.019 3018365.97 3823616.005 3796140.757 2674092.738 2571037.738 2438731.085 2534808.515 2813720.28 3486530.357 2744152.318 2788859.821 2763610.198 2808130.15 7185024.862 6061200.112 1727602.436 1758091.178 4738939.119 4545709.817 5168459.715 4161466.943 9348951.053 8244080.492 6801371.107 6219289.375 11339802.99 11623587.28 9507284.396 8883761.361 7600193.006 5866567.616 6391344.945 6070316.21 12675319.85 12817244.33 15927117.21 11694873.46 8717559.302 8143542.737 8891607.853 8583891.715 11377603.06 11170207.73 222958.7993 150978.0606 51818.27794 165440.5529 50064.96885 47909.9889 51306.39623 87103.17761 8187998 4592794.337 4937593.876 5716922.314 4910069.923 4725464.653 4818174.071 8206669.819
9,10-Dihydroxy-11-(3-pentyl-2-oxiranyl)undecanoic acid 2898287.453 2848215.884 4310771.529 3500394.724 5758929.053 5441796.603 2953892.467 3685467.094 7270067.67 5216951.101 10676124.48 8210745.645 9777478.199 9144008.356 5220957.837 4525674.554 4059994.995 4183828.62 7067739.272 6469483.176 8186573.092 6174876.979 5782422.344 5996392.071 6220431.64 7209381.305 4982828.674 5369103.352 4948940.846 4960600.501 4607495.902 3642608.655 3312963.296 2814270.887 4885894.293 4548264.345 5151265.807 5903903.672 19452594.55 17159747.19 10403921.42 6971826.402 5606182.091 4636817.02 4885041.515 4772680.461 7519787.843 5150613.606 3388413.144 3296010.8 11547290.29 8866750.647 5406808.886 5234439.67 2454252.774 2173101.958 8845108.634 9506013.979 9139664.098 9258002.297 6713893.418 6012135.465 7362030.01 5163405.138 2894480.258 3177102.984 9374829.517 7072456.36 2946635.337 2340667.16 6806894.971 5648693.912 6464488.34 5440635.788 8666061.759 7673790.044 5611876.836 6574411.972 11553544.27 9369319.156 37726.6054 33269.44056 40736.55769 33870.67346 36959.05078 30765.43722 34317.38423 74410.84597 6582027.727 6611352.076 5196330.773 4280245.63 4618214.12 4366891.261 4601829.096 8964516.025
5-[(5-Hydroxytetrahydro-2-furanyl)methyl]-1,3-benzenediol 1339066.416 1512433.532 1478937.398 1666594.406 4752467.521 4876616.795 1581766.343 802818.719 859923.3258 686371.0909 3695658.289 2018172.977 13761055.45 5133475.362 2337056.86 2464760.103 613767.4976 987472.9653 1077687.122 1372602.695 1238442.212 1704844.128 1438513.218 1546791.378 1401128.264 2003363.466 3637959.041 3803117.626 1616180.092 1559560.962 1265316.856 1760984.767 4330381.305 1694752.998 2657970.046 2861649.745 2810846.782 3530737.666 1301747.945 1515091.962 1306809.555 1617721.054 5061273.032 5607094.811 601562.9737 1177930.672 2100218.424 858452.1352 1172569.392 1286352.255 2180700.081 2394886.819 4484523.96 4246596.42 1255351.577 1254624.662 890335.0849 850819.752 14457449.83 1799112.07 1906152.808 2250230.898 7452453.671 5183765.291 1171869.398 1758053.261 2352067.54 2377675.791 933368.333 972795.8078 2142003.335 1185215.089 1926166.677 1689497.223 3702502.741 1258905.565 7003274.052 6206596.683 2401140.121 2584044.227 1068958.487 431239.9348 199636.1805 761621.9679 604578.7003 573221.9866 434401.6986 800374.3308 1928038.748 2103458.614 2255433.062 2011829.426 1764675.846 1511504.922 1533847.006 2582902.891
Taurocholic acid 2242507.564 2319773.942 495825.6236 410446.4828 293801.6879 328129.7068 226234.8181 273966.5833 738419.5898 660860.215 177040.6188 107590.4018 137283.7708 138328.817 504564.8762 411442.607 15439581.75 15801424.25 2794271.956 733631.3949 182049.9222 147182.2746 198112.6036 188604.0911 199484.5617 177420.0123 357086.6235 343776.9244 486193.8639 389694.3545 224821.8313 243443.4373 304603.9015 163391.3461 423364.452 439822.0986 311886.4236 398621.5287 445309.969 406809.3497 221999.379 195142.7916 138660.4784 157180.5381 5938796.996 5858009.734 7260651.042 7367054.712 1059825.539 939203.438 370061.4554 360725.8046 1919321.703 1657119.971 435743.3491 419754.3874 515432.24 424688.6938 1834450.195 1311404.787 234341.7938 225888.5233 254589.671 197133.2883 377036.2846 318170.5965 466619.2635 1371474.287 549969.4887 526930.7419 343328.3193 299554.0739 229901.2317 207495.4997 1884830.145 1527701.021 5827590.094 4897601.954 394783.2157 342392.4168 48088.4729 30329.52363 34771.10047 46416.0789 59019.04793 53548.7051 71076.2964 206164.463 543168.3213 639740.7527 705980.9372 3259817.886 3259817.886 1017497.782 1234892.667 2821357.315
N4-Acetylcytidine 2334546.184 2426053.166 2085213.691 2061777.599 2188876.289 2205481.708 2433894.945 2005665.011 3272353.314 2658736.518 4724587.149 2862979.396 3404108.889 3626588.793 3360770.214 3123326.558 3311854.533 3292886.319 4337615.249 4139437.219 2494828.171 2118646.416 2635031.311 2519798.894 5048192.756 4714240.245 2925248.606 2818716.51 4231336.084 3386664.368 6273826.998 5940204.754 3008611.834 2852765.227 4976482.869 4813930.544 3154214.522 3789617.291 2325536.794 2169076.154 3905275.007 3858775.608 3170025.231 3126376.445 3851429.625 4010253.403 3782352.722 3564164.248 2953705.633 2956213.706 5778554.394 4701111.512 2113730.041 2270015.035 3260862.841 2986749.119 2971295.558 2427292.142 8900966.025 7978807.699 10169384.64 9514153.92 4479356.554 3348042.188 11562742.28 11621569.19 3299161.171 2814048.692 4831160.766 3960373.716 4907250.171 4444969.456 13462125.52 12096565.61 4633173.129 4516129.657 8695464.411 9092524.931 2678554.5 2516740.862 64948.0959 17756.48132 15321.84567 15593.31081 15560.19819 16248.18104 17231.64845 31191.33197 4564565.428 4005778.467 3752003.441 3634783.906 2985533.831 2907762.051 2941992.722 6283602.031
Methyl indole-3-acetate 2490069.606 2459268.788 1835843.002 1841355.941 6610715.824 6471423.697 12129691.11 9940967.435 6324927.112 5370504.708 4228809.243 2601425.424 10106647.02 10374104.23 3346569.69 2642536.974 12915984.4 13065374.12 10321737.82 8536224.048 2081296.797 1730077.065 5918685.697 6187256.288 14658935.45 15412309.44 8772222.672 8367240.577 2986145.321 2479634.028 4515777.916 3991715.893 6350498.207 6406020.238 12393973.28 12644991.79 10719968.5 13002940.04 2427627.43 2470255.184 2926453.027 3116615.557 4587430.571 4675915.235 2589857.292 2804903.702 6826654.88 6076837.684 2281033.734 2249537.529 9617898.476 7903819.428 3956847.21 3659086.109 2380628.198 2013536.708 3537572.868 3180513.098 4323742.838 5407025.837 1118380.866 1085434.313 13641024.82 10124690.8 2484639.43 2556913.474 1273990.443 1107740.13 2784343.616 2452845.35 2113739.526 1864705.69 2635885.194 2454007.599 3287149.492 3015262.075 1007898.498 1088502.532 11291416.02 9394200.82 41676.09859 27504.71194 31133.40368 32427.77497 40025.35356 34065.44675 31959.63518 63568.17935 5709020.546 5422841.187 5201342.461 4949587.168 4397267.131 4302011.556 4241712.201 7103339.602
Prolylleucine 14457627.68 13596636.15 5987671.333 5394819.381 6510686.271 6664288.287 8077622.834 6678557.339 4752979.179 3974108.743 18859319.53 13774703.94 32256890.54 37301173.8 66554722.42 77334439.02 18786145.9 19331363.98 15745316.54 15738970.86 24333692.73 22881929.69 106024204.6 124057229.5 138542672.9 219272575.5 7725185.679 6177351.746 4738094.543 4297261.293 17143568.71 15555400.79 130177997.9 117437028 36080300.51 33879706.38 4868889.672 5993348.114 4240568.663 4783982.138 43818652.22 53113693.73 82339073.84 69155992.08 16102875.09 15315173.04 11012403.63 9340040.189 7977201.526 8021362.608 68937079.51 55260168.43 7130594.509 6420795.699 5808451.413 5345663.206 3980402.111 3380939.911 5961007.751 7614839.027 52946732.15 58423896.81 71813477.14 68149624.46 53327638.21 46126929.2 21827343.28 21300827.25 7601601.202 7031759.431 14088928.32 14843809.26 24023457.7 20789772.06 19297972.7 17711271.61 25202794.88 22185019.4 5268697.673 4691534.053 197988.8744 122847.6374 5540995.729 91307.34049 46669.75288 31487.7034 22390.3036 30391.86634 593017.2156 1124042.539 7435732.433 590112.3571 412710.5494 5664555.31 3653279.59 5218319.486
Caprolactam 804199.4618 127370.754 771319.2907 1164277.707 16826045.21 16371479.08 834818.1871 75772.9513 976437.1142 967044.1645 739521.2948 716436.6411 13014768.47 13383068.33 2828853.154 2444808.234 730757.7739 795160.891 778555.734 809485.7396 930159.1246 849595.6127 807077.1773 853770.7437 738706.3071 688631.1779 8486525.341 8257159.785 820297.9857 938468.7181 681763.9328 692116.9943 746507.8789 727972.1532 732899.1495 824379.7132 4123737.957 5052930.408 100104.6159 846844.3136 712143.6114 734020.4453 7585767.898 7415225.247 782824.6862 763645.9351 78588.34143 863772.2589 794471.962 957190.9359 694491.0914 722596.6519 6732325.833 6227883.055 922711.9262 1012576.128 857167.2631 937947.9914 1195307.608 1216556.073 690102.4442 715661.5743 14739120.81 10716621.14 666838.0997 700666.4591 766347.1983 878786.4355 1333291.677 617343.3693 3043830.999 2678987.445 693781.9819 719093.0045 748145.2352 739707.2838 1547591.924 1481931.118 5502679.668 5299408.227 139916.3472 747000.6845 723684.001 779992.0414 762175.7596 833729.9238 845759.9817 1138942.499 2634525.044 1833024.109 1803157.461 1831665.861 1920684.874 1741496.164 1957042.075 2657658.946
N-(3-acetamidopropyl)pyrrolidin-2-one 4747919.345 4691244.455 3252167.769 3475682.689 3802245.339 3956903.858 3435767.193 2984093.152 4550523.957 3353584.14 7863242.794 4348045.286 4868575.273 4788782.846 4659185.869 4161586.441 4595233.883 4284380.907 5412767.383 5250653.567 5637488.653 4327978.226 2675639.456 2737281.296 6891157.607 7522479.048 3158865.115 3217186.86 3637421.135 3147543.165 4552502.923 4168835.079 2991312.431 2852614.835 4249816.958 4026815.026 4485742.078 5663500.308 4730648.307 4419265.127 7728853.592 7284142.058 4827299.455 4831658.228 3284531.12 3160504.536 5274275.702 5064864.377 5998793.716 5649944.385 6689505.196 5428706.597 3597731.609 3507589.368 2688137.301 2595207.622 7027195.258 5471816.646 15046699.98 11142723.87 12356438.77 11624800.67 15335616.01 10753476.71 5926838.564 5612234.513 6583771.55 5695993.182 12778067.46 11326502.11 9028920.43 7194742.527 6554218.825 5609726.971 11587814.29 11620758.1 10450160.04 10511267.64 10665315.14 9508200.885 140696.645 57129.52564 55167.70554 57361.99592 47620.02172 28433.86319 52738.87665 117736.8913 6309556.176 5931577.698 5339007.098 4653423.965 4622002.533 4318654.586 4473572.437 7865916.724
N-(tert-Butoxycarbonyl)-L-leucine 261946.7172 292371.5594 654610.2655 607116.1118 12320312.33 12051696.25 71867.16829 189179.3378 202205.1125 98834.97124 359198.1688 225414.049 13570516.39 13550540.8 8767770.597 8300744.236 161597.0687 196830.4625 116846.8519 130634.2924 603509.2612 529420.1886 296244.8156 318685.3125 164637.6347 152817.7554 6055936.633 6132457.032 641320.3477 550704.0088 488065.3775 467528.4398 415054.0561 192621.329 42480.10141 175084.3483 4926042.695 6111897.578 75507.79998 123776.7261 233361.0594 217950.8236 6459450.554 6661091.422 209952.9163 168029.0188 171156.1711 80098.8219 42757.21471 36824.06532 99011.87737 68874.88716 6076074.445 5446061.311 261748.5446 167528.4355 232874.8496 152373.6904 1188503.751 454939.4693 136942.8104 109764.066 15068861.49 10915370.89 139774.5178 148063.6168 383763.5274 353024.1673 1532725.241 1419606.423 4250090.783 3468485.536 348880.7385 313798.5043 604401.8789 439903.2019 2576135.909 2433337.081 6294226.466 5982825.035 130131.5763 144056.9661 129030.6756 14433.78982 117226.3044 14480.29977 109386.9144 239669.3464 2257836.916 2140537.217 2007889.821 1881574.871 1718088.335 1548346.788 1485773.502 2985818.088
(2E,6E)-2,6-Octadienal 1614643.063 1930628.816 2224100.904 2513755.651 8859994.658 8669104.516 2352833.108 920631.6723 1578619.679 1127660.692 5375945.328 3243075.695 18626699.95 12492014.67 3711289.936 3662707.071 917600.3233 1291687.542 1924087.34 2353513.819 1392795.973 1546462.989 1934199.704 2225715.133 1326159.471 1795440.086 5473359.865 5951682.61 2220798.047 2228680.539 1268979.43 1333726.641 5512162.321 1595905.233 2963382.754 3107780.765 5531572.498 6356338.971 1942723.772 2142019.711 2089163.853 2265757.592 7217307.679 7821785.786 939745.6008 1276004.248 3580412.408 1301816.643 1751233.962 1909545.4 3337064.296 3176979.012 7136453.25 6791634.31 1597665.873 1812211.505 1387456.98 1401120.215 940179.428 2304730.882 2010256.027 2625319.245 10516672.14 7710344.485 1255293.943 1742728.85 2550362.647 2807664.699 1060484.981 1176303.676 4640202.863 4230492.425 1735176.849 1825393.667 4070790.864 1499884.208 9732692.431 9665576.059 4713748.923 4217555.889 182155.9368 456045.1593 344552.0448 318584.4705 334833.2581 363184.7921 402884.3885 565876.808 2862398.835 3108024.051 3168653.904 2926585.464 2717240.422 2476743.873 2509720.84 3472328.182
N6-Acetyl-L-lysine 5636669.451 5500138.006 6898320.751 6691821.39 8422029.13 7008131.152 8848181.948 8530208.504 6544620.274 5953113.847 7741210.628 4793189.531 9423781.679 8589822.461 6427801.915 6631405.988 7132284.05 7959929.717 5436771.045 7998466.004 5112522.168 4530298.24 7910392.212 7834403.977 7433030.295 7891610.7 4507246.622 4570570.482 5884823.319 4609397.019 5123012.265 4644237.164 7622225.635 7508451.217 5000836.679 5026014.343 6885596.362 8099042.025 5367261.049 5977428.801 7270565.742 7374146.348 12508759.37 12967784.39 11047755.61 11582595.26 9889751.754 8398871.101 7439045.91 7921673.891 8938466.982 6505471.063 7541882.585 7790192.338 5944485.988 5008762.712 7225838.195 8680658.31 13239843.7 15682526.25 13280184.65 11272452.61 8963525.75 7507678.662 7814848.8 8016773.867 5358485.78 4978719.292 7647726.282 9253814.224 6227064.98 5839305.641 7752733.778 7119724.113 6916299.826 7465247.314 7864018.946 9815130.613 6178855.227 6613109.164 81158.70385 79252.96424 23913.81246 28278.7168 24472.11887 25623.71566 26614.71395 50068.01986 5599558.541 6345938.568 5124600.559 4891299.006 4495703.635 4389393.579 4242158.223 7990988.288
1-Methyl-1-benzylidene-acetone 1185286.91 1374127.427 1309328.513 1294984.398 1590727.7 1531700.613 1216923.638 1154081.469 1354972.726 1131144.617 1648466.131 1370736.317 1746936.347 1797727.266 1658153.766 1763227.375 1136659.676 1104121.947 1218021.593 1249887.934 1333917.194 1213571.096 1307215.828 1217353.895 1236380.54 1166511.036 1443467.251 1436118.724 1326932.173 1178893.151 1390579.635 1429779.316 1191269.856 1332099.508 1177176.578 1224081.354 1423248.165 1590125.483 1220454.829 1337265.212 1945017.969 2041546.205 1753599.212 1688273.033 1131532.326 1459622.384 1314345.618 1208768.527 1274075.788 1266921.323 1330654.693 1206815.34 1387948.126 1357751.651 1299038.141 1154050.208 1395110.532 1217647.578 15718126.78 2113663.381 1199166.89 1086996.178 2033723.647 1769971.377 1511897.96 1168642.442 1078736.8 1151621.849 1139865.224 1153109.94 2085623.438 1832140.009 1419559.349 1371658.864 1276305.102 1165548.539 1152315.586 1267848.599 1308423.664 1001282.509 1073371.684 1087952.806 931671.6419 959257.4117 943993.6402 881755.5956 907094.9913 1447005.318 1590300.922 1263241.733 1297993.73 1268158.187 1253282.537 1074979.082 1171310.318 1724883.308
N,N-Bis(2-hydroxyethyl)dodecanamide 194436.2867 235764.0282 192067.9469 263002.6974 15242863.54 16794859.77 74253.02847 91056.90066 96907.87352 84681.08989 143112.2494 214113.7538 11436010.23 11115730.01 2517464.091 2272266.995 98726.85277 109204.8089 120340.4811 123830.3127 337896.087 232969.7994 262608.8839 248763.9355 141360.6701 103487.0241 7522383.022 7453854.554 245903.808 202266.4162 305247.5339 243209.4702 131457.6945 122604.0099 83690.28057 85635.60167 2477061.009 3025502.814 112387.6395 95036.65062 151261.3062 135366.4703 9174714.194 10071225.5 78566.52068 73081.93576 89648.32523 95943.2594 81912.42645 79520.46718 100307.762 94806.33319 7058840.515 6077220.263 88670.6987 86524.75459 158860.2046 149128.4397 1051803.882 211434.949 90875.8067 113301.4487 13691285.84 9758114.546 73814.01565 95479.89611 109970.4545 120875.9237 751130.4547 534646.2148 3927572.914 3429321.814 218172.4883 138900.0148 239773.3784 199618.1247 555134.6161 590871.8034 2589485.146 2222364.631 170147.4915 74376.21699 46732.14241 56717.64433 93748.52732 87947.07057 67708.36837 142374.698 2293352.909 2006831.015 1850851.075 1833080.881 1498301.793 1428237.526 1565144.27 3088671.121
(+/-)-Camphoric acid 5683931.99 5430034.065 5148439.705 5094148.559 5698049.308 5637475.788 5162090.356 4543136.897 4918978.347 4370295.872 16017706.48 10874214.54 6838348.418 6578595.572 8708040.531 8653387.793 5445733.841 5119672.981 5506698.956 5182496.915 3919422.063 3790337.692 7596452.329 6741827.996 5804582.892 5846025.269 2635612.745 2663018.64 5800944.82 5301423.708 4163055.134 4011620.595 3936061.568 4033417.524 2764075.914 2350087.28 11913839.29 13099446.33 2414727.087 2405904.37 10631483.34 9652605.484 8084449.304 7583563.213 6414315.952 6169176.438 6482360.215 6115941.771 6844863.715 6604798.294 6112840.373 5390266.194 5651210.183 5487503.107 10881175.22 9460819.783 5565271.002 4945048.041 10579033.45 13805052.48 4895730.91 4813854.744 10918907.76 8911642.821 3359265.163 3428665.393 3029910.14 3193950.037 4900533.934 4529995.923 4751135.832 3552574.179 8438314.878 8085284.425 3935847.93 3822893.798 7801875.804 7535660.189 7862081.583 7633983.167 2042021.569 3712036.908 2400833.508 2140345.753 2569879.33 2236215.616 2500056.576 3858603.422 4353399.176 4552542.255 3974368.764 3177117.821 3272325.459 3252228.857 3029567.014 5573319.17
7a-Hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one 3583586.394 3430461.893 3979828.484 4156285.93 4975403.246 5664395.837 3298981.27 3622869.045 4735531.848 3240876.414 8513298.063 7090153.698 4256283.946 4710334.414 5910253.839 5809426.817 4289954.156 4301453.426 4302407.646 4337514.186 6656449.976 5682882.071 4614033.923 4955314.852 5036752.934 4394118.192 2468453.87 3037052.612 7503103.502 7275934.164 4249544.413 3783811.376 2986203.726 2837254.98 2953514.188 3427903.189 10345541.59 12625879.09 2937375.403 2146673.346 6650200.903 7134802.149 5152331.483 4253052.381 3068861.977 3337430.388 4180225.157 4486076.63 4848763.42 5459590.414 4568406.651 3746807.342 6474528.49 5048200.356 11108986.99 12036807.42 4351955.139 3315359.728 13081659.54 13960351.6 2889555.782 3206915.62 7067673.218 5620313.293 2879376.652 3263778.322 3477967.286 3189418.405 2480682.215 2271553.59 3360984.888 3060853.343 6259164.65 5821595.782 3524448.132 3388434.606 4982073.843 4897989.361 3485113.344 3305648.607 3662614.261 4566354.642 3307698.294 3697993.022 3587751.066 2647747.169 2419466.036 4007931.307 3813988.146 3650902.29 3147403.415 2791209.515 3088857.638 2540306.307 2483092.002 4576079.484
undecenal 3371882.311 3330465.908 3596201.641 3285194.722 3375304.356 3477247.028 3849017.979 3269174.417 3746209.314 2902575.959 14543731.84 8131413.087 4194443.585 4144290.812 6883496.165 5918171.305 3169402.715 3383965.322 3439134.382 2976317.289 1176130.499 981584.0842 4647211.839 4550205.79 1605279.62 1485223.451 827756.6075 872153.5345 4900346.297 4414603.816 1389528.115 1547448.871 2397501.568 2265191.909 829764.1102 847469.6571 10614166.41 11920904.86 1520734.913 1641903.899 7093610.315 6575495.846 5004415.28 4900073.927 3920204.233 4618768.004 4397164.822 4011807.513 5299431.597 5332375.356 3936478.586 3093926.696 4223453.391 4096432.23 10898658.71 9555065.029 4677381.552 4009533.08 15687602.09 12675070.72 1093873.227 995919.7499 5875245.608 4587572.389 1022097.925 1032391.04 1307260.291 1296300.131 2924087.707 2403234.804 1239450.772 989255.9522 5759777.793 5300939.23 2188496.513 2039478.649 1875119.111 2032627.444 6404442.2 5563101.898 237309.9858 525266.4488 519267.2677 472738.6838 354140.5538 428743.088 422946.4419 593646.5299 2455054.854 2839108.607 2551395.771 2452053.908 2251206.41 2113789.423 2042587.38 3201512.748
Cyclohexylamine 4239681.102 4190601.638 3485160.791 3386072.43 4638876.001 4491592.59 3188532.929 2537042.012 4039371.585 2948987.13 16390987.85 9344745.746 5251738.005 4961581.359 8640882.011 6492651.2 4735905.471 4997864.911 4000791.017 3840780.374 10754445.92 8536400.415 8686326.581 8145286.179 11326229.5 11077657.18 3598190.049 3749560.801 1419906.158 1265050.909 10455491.45 8532190.991 6090185.178 6160158.102 2510975.82 2422805.102 4064488.138 5242473.954 2942564.691 2782753.703 9279014.262 9240674.438 11029700.76 10223044.1 6187567.691 5671126.886 2439874.708 2049011.699 3539796.037 3287714.744 5557805.121 5291216.192 4101876.737 4066431.357 3952721.766 3692004.757 4769212.331 4141749.951 5062529.106 4240214.147 8158114.128 7381803.763 7290701.064 5362886.081 8172546.909 7786490.303 5663286.016 4487553.595 5974028.898 4929845.097 9550905.646 8505508.905 15553203.75 14817732.13 8471240.604 7406486.85 14126372.03 14357263.52 4420927.072 3544276.207 203976.7392 48935.94237 41820.00137 38456.10467 287767.7934 35708.91185 221796.4218 57913.63606 8642747.2 8058277.411 7463499.55 8133133.482 8507785.98 6889239.08 7159831.449 9300601.769
8-Azabicyclo[3.2.1]octane-1,2,7-triol 273526.9516 225536.3814 276505.054 253605.6593 429876.1643 235532.5874 161653.8161 130472.2067 1191814.569 936551.2962 398110.0873 353032.1358 268144.8124 261662.2283 235905.8082 625637.3853 82118.52354 118308.7912 1190819.383 1375486.878 612034.834 527450.5326 447734.2123 112047.4022 444483.863 190380.6645 723937.3687 759072.0778 59090.00006 50599.46389 731261.7782 608909.2939 95946.82331 101438.0131 685898.4166 701920.6992 83052.90551 169105.4411 348278.5509 458386.7029 551438.5663 573050.8811 286074.1614 261064.4032 472927.912 256045.4863 156269.0165 144897.0741 355039.229 126241.1831 119697.6422 106049.8923 311285.0936 300440.1385 260123.5644 138736.7337 69854.05435 55451.07322 114793.8417 111609.1681 16122871.59 13953305.39 1076289.379 477431.5249 5519728.597 5321414.016 5631727.343 4780245.342 8413525.576 6628159.444 4872267.999 3972032.175 4559504.687 4275349.935 6571197.795 5693045.022 10105243.01 9623666.845 340074.2902 518952.5848 256285.8769 137136.3025 179431.5807 135365.3011 143440.6006 127228.6441 51933.54347 88676.02213 1462418.325 1497624.209 1415732.338 1369652.802 1201574.298 1142236.458 1192251.012 1769093.55
Oxepanone 15276012.29 13935242.95 12687955.6 11627511.12 5903955.492 6945867.749 8672658.394 7961780.973 10131303.74 8364071.515 6522148.492 3727221.846 7066726.487 8046024.77 9286274.413 9269515.415 8384647.343 7341534.976 9492885.116 9476906.564 14092312.18 11889705.36 7335663.999 9344757.788 5497858.214 6572373.722 6543470.665 6659811.354 9692145.199 8643132.893 4166593.067 4003867.296 8085243.232 7992312.196 5100550.393 3942849.976 3735632.092 4825877.589 5463780.835 5510275.335 13354433.36 14595606.72 5850241.688 5097266.128 7852282.132 7348889.812 10272688.15 9355748.306 6731412.474 7357080.377 6116586.924 5044615.927 6918572.49 6128633.74 7084944.747 5451024.628 6426758.525 7098300.928 8775787.629 6819610.568 7375186.126 6590056.534 8128472.954 6920242.368 8671086.76 7251294.191 8926028.469 6139388.996 6240275.151 6926633.177 4356301.879 3896691.663 5713780.522 6475226.93 5343567.143 5160931.891 3328880.369 3630970.383 4826660.064 3229004.314 1150955.347 677408.1721 587874.4711 714115.7771 588517.5163 625947.2761 472984.9676 688966.885 11097594.03 11614749.89 12803906.75 11027178.83 10065769.77 12761024.7 10133537.52 12228133.18
MFCD00065806 60936.60944 44447.01238 61277.02569 46501.58386 82034.41876 63322.06384 45187.93212 42392.47086 55847.76487 56571.99225 85464.84701 38983.42295 67027.73891 41937.65011 75736.37231 52466.96594 53767.5446 55747.62388 68549.6719 64442.65096 45057.09275 37630.37316 35730.87679 73217.3299 40114.21857 35302.77091 94937.08467 47846.42754 47261.68214 46450.15332 40186.80822 55032.08876 72451.74316 34022.31527 13973439.74 13204873.51 46313.54217 50880.78766 53437.90204 136748.2592 137345.3228 38896.02349 98838.55951 120968.0032 80797.26677 88583.81722 39588.40607 42971.45419 43229.16194 45839.69245 48850.14131 49360.02471 50080.80837 53786.80702 56136.80693 56259.98104 164903.9806 141303.7455 505899.5036 245358.9668 278419.4933 230587.5312 127893.3178 129900.4926 65568.12404 58482.75472 48872.06157 55204.01583 44555.51435 47106.3667 111507.1923 92066.54045 85353.6519 73623.52059 39494.63272 45818.08343 306614.9209 249168.7209 92042.314 83960.6766 41100.39359 30278.78007 29111.68065 33867.35318 40765.19462 35870.73404 41904.96838 90857.24562 503136.0939 495702.4355 345471.4213 387602.9983 327509.2665 272488.0208 329980.9661 757729.6232
cis-acetylacrylic acid 11146541.04 10534270.81 13122268.9 11186588.03 10735521.99 11578965.8 12639452.46 10478313.57 12206192.23 9971306.883 13706413.28 8383807.512 12999259.7 13441967.95 13971233.86 12716410.76 12058240.18 12194981.76 12455696.54 11915068.42 1216154.519 943785.1955 959149.6123 1135530.036 1090296.027 1033180.682 1118120.668 1121591.01 1169080.255 1056629.377 954853.1583 929574.9016 1496292.385 1099074.808 1099106.411 1167606.283 1007486.491 1174082.511 1131499.728 1110385.414 12734591.24 12800926.35 11548572.42 12195472.22 11299840.1 11589486.39 11934643.89 11271670.57 10235310.13 11077858.44 13817075.54 10824365.69 12387825.24 11359538.41 10525524.69 9925065.425 11927162.94 10139015.58 13378047.09 13928510.59 976376.7361 919796.0898 1076796.675 697169.7122 1045579.689 1069967.272 1358077.759 998829.6514 1206792.283 1166474.477 1096899.222 832219.1891 1023719.366 1031994.522 1288687.899 1213778.406 6354778.597 1174776.304 1073283.378 963584.4676 444816.3412 784558.662 640174.7796 761495.7276 669555.8373 463082.4687 674133.1431 804172.1868 6944402.562 5734171.2 6061134.331 6057077.381 5887494.915 5938113.996 5577725.377 6999777.907
Pyrone 8478513.187 12304427.32 4270737.062 4319984.659 6751851.445 7460414.331 5015694.259 6320094.513 4452507.065 4801904.986 9712720.668 9720246.625 9243611.095 10615908.76 11132810.55 11303669.29 7733923.443 10410197.43 12175749.08 10344227.31 13128635.3 9352409.356 8139663.359 9402714.953 8790032.704 7633095.098 4486264.312 9470617.788 6784900.646 5576026.679 12910344.4 14408252.19 6693827.633 8501719.479 14209263.81 7669961.759 6183154.807 5846603.953 6022410.449 8870323.015 11865952.91 11506848.79 11366933.76 5284741.564 10589342.22 14460138.29 7770824.911 6169739.921 5763946.502 7432917.294 8189694.278 8933197.425 4599870.652 7415984.631 9158830.623 6559350.394 5695789.588 7504254.046 10250112.87 9091519.002 16009646.17 15679474.85 10438999.64 11957277.78 11071885.78 10314904.41 10137726.64 7046950.658 8345592.243 7433796.499 13103678.04 12547181.75 15209617.64 14533248.16 7928259.447 12783190.59 9695024.623 11583563.84 6238445.761 7674003.977 177223.2908 142541.9737 39315.82906 127465.9183 125226.047 135986.0144 93215.51088 44062.98486 10933752.59 9638507.202 8159406.584 7895211.066 6900210.045 8063556.068 7115025.622 11849262.44
THREO-SPHINGOSINE, (-)- 777683.6982 602328.8018 522737.4211 516218.9819 10783869.33 16144396.12 430382.4647 931385.4469 925074.6054 931113.1484 880250.2833 1523145.734 7666456.976 7702164.398 6766379.736 5241588.979 611547.6755 952400.5419 921506.9784 1066274.986 1233547.378 766072.2594 1813120.269 1397494.754 1042961.004 233094.6198 6527130.589 6093802.561 1756508.977 1783357.261 858194.8592 1733316.582 881861.2421 881665.9312 1113202.44 1130090.638 7854257.873 10625559.64 647636.499 1113461.564 1173183.766 1065377.886 6438033.782 5893677.853 400123.0113 881783.8683 450624.0295 917281.4365 840005.5098 748106.2077 910099.0969 1130371.45 4863439.769 3924174.951 1075698.108 933128.5145 1016284.029 894749.8986 2802179.002 1966683.862 538196.3456 792007.5536 9168723.185 5103564.691 682588.4523 645353.151 948208.1833 1251726.601 3181683.884 2760069.418 8414426.074 6978395.346 1022835.873 757617.6558 573117.272 610103.2934 517085.9716 923838.3392 7842135.459 5748760.425 979390.2934 852531.428 623352.8449 779478.5796 568950.6492 570977.5617 651921.6285 424100.2995 3222004.348 3143717.752 2282745.864 2007422.465 1946125.325 1902959.156 1719335.873 5416115.061
(2S)-4-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)pentanoic acid (non-preferred name) 3397214.975 2897352.526 4153047.87 3252674.425 6286766.732 6521008.56 3795467.251 4073309.025 2897555.85 2082978.304 4023366.963 12262559.79 7819302.725 6111979.998 2965269.274 2687175.679 5385221.779 3994952.392 2560711.578 2411568.457 1880808.782 2185888.917 7331215.55 6998148.989 1886045.465 1991421.562 6004863.447 5264940.762 2930908.994 2983306.088 3014639.474 2350927.527 5608340.738 6339640.911 7621382.466 7504805.261 3925496.261 4080434.106 3617207.362 3867519.527 3769436.255 4123517.08 9207670.18 10549427.27 3957325.458 4698788.742 6236163.547 5928069.184 4294523.088 2658878.969 3617106.367 3946960.752 11632147.85 13924908.29 4996650.842 4171745.595 4524585.308 3827466.468 11255961.24 10187278.77 15562986.3 15098834.17 3025298.282 1972645.819 4951747.297 3928474.8 2852899.611 2600462.336 2376960.829 2503235.081 3084726.635 2648115.912 2838408.482 2424857.264 2857843.719 2193023.658 11713023.03 11193891.2 4495971.5 2626559.57 233307.5425 55281.61701 42849.16131 39196.27742 35474.63527 31865.52362 30044.50142 47263.33049 253319.5062 450440.5496 244617.8656 349831.4052 218015.6576 158425.9069 201384.5575 475358.6626
2,5-Dimethyl-4-ethoxy-3(2H)-furanone 1394778.797 1581863.706 1404500.5 1650369.218 8256212.226 8768652.808 1083839.404 713320.84 851005.5055 456710.7932 5769306.089 3170333.02 12897520.39 12133417.44 3435348.409 3014252.555 707398.4702 795772.2523 1626217.368 1870571.339 2143159.152 1908847.853 1818554.705 1438288.955 991451.0397 1215125.728 4546581.755 4781601.467 1393265.129 1078653.002 1875888.334 842350.9513 2100306.595 905809.9014 2347142.914 1341742.783 5135157.587 6277245.156 1021587.572 1191591.711 1831651.214 1397418.208 6558633.204 7642902.323 557593.8493 614227.4315 1417333.944 792647.6989 1270641.337 1651385.771 2369631.85 1966563.297 5818282.412 5673585.216 1857516.196 1680121.047 1082027.482 998082.4392 1780677.259 2539427.047 3735001.906 3703289.625 11382770.34 8216634.198 748696.9023 846916.5984 1255041.637 1353450.888 1111818.424 913920.1004 3999267.589 3531730.048 1466398.72 1312316.326 1824388.585 980971.845 14251625.82 13841052.71 4183855.946 3473515.792 497707.9174 196487.9887 149698.9631 592308.9979 576134.4633 536644.5318 493290.6604 915633.2775 2785840.768 2600609.966 2547885.306 2498436.625 2213782.633 2143618.913 1996645.793 3370225.99
NP-014175 131568.4846 120986.8362 130980.2135 140538.5575 125208.1809 126250.2831 128040.8503 136774.7261 145293.9769 145492.7293 175400.1289 118908.8327 186232.2645 144298.4454 352825.9841 350268.5368 135886.1473 152392.2118 170476.7953 167605.445 104113.1372 85786.42819 129760.6271 102184.0731 133841.5689 100067.7125 146952.3816 135813.7585 146622.2483 134880.2256 166858.3444 226791.8748 158767.0613 117920.6205 12872177.69 11903569.99 181900.0793 283109.6042 170021.5207 207588.512 389193.2841 189777.3765 128042.1843 151914.3142 147815.3514 156496.3526 127150.7927 144430.2275 143409.3054 151775.8569 173050.6308 160493.0094 144817.1413 143541.0354 158771.0859 282507.1326 568392.3072 181973.3994 2954680.014 1894917.559 235341.0132 215907.1037 176196.6648 130985.8956 141466.6137 147958.2729 135513.0244 122920.2636 138112.5015 135206.2601 159687.8773 142061.3593 191358.8722 144162.1819 216322.3926 283506.844 172209.3928 165497.498 142940.6477 112972.9711 82783.87237 71768.28092 72489.42022 94784.52015 95943.9003 87894.78531 107623.3609 227068.8104 628583.2933 548871.0536 366848.5206 327051.8153 292268.9258 394186.8433 349625.6096 978797.8637
hexapropymate 121947.5333 151250.4064 256885.9286 254734.6524 12336945.45 12893762.62 25293.4686 35007.37348 163860.9795 131788.2936 121371.719 91238.41387 10696184.09 12100136.57 6770868.111 6142262.747 21186.09244 54851.53867 103707.9146 97827.39008 536623.3915 424403.5924 201399.3881 177065.3521 131761.8619 115417.8151 5547066.244 5895848.898 240878.4679 184967.7324 317010.2798 258478.0418 91284.97273 79720.40939 42152.89596 21444.79523 4474897.084 5886803.377 60156.59956 62156.47437 77191.25037 61174.95122 6180661.693 6441938.127 53341.6078 30650.76664 56744.7841 47021.25014 21478.85466 20042.23063 24479.81716 62461.61597 6110108.245 5588919.923 51955.23459 43110.31562 70814.22295 75715.31672 184436.8061 103895.1656 68233.87512 65988.50116 13873083.86 10535902.5 36874.53791 56377.9147 187020.5325 153344.3065 1108571.26 947699.63 3447663.79 3239876.548 179665.4996 152284.4168 195456.8413 230004.3609 3010210.566 2664541.305 7146787.253 5901233.999 54631.86838 28608.69189 43618.08024 49192.74454 61522.29664 41860.26912 26191.45255 59427.56854 2064382.027 1951970.531 1923595.258 1801663.309 1634873.726 1617291.589 1549733.73 2487940.656
7-Octene-3,5-diyn-1-ol 6121799.396 5676077.726 6592873.944 6412201.423 5779890.618 5989631.043 7206381.948 5999752.32 7157578.097 5919523.715 8408112.601 4880467.457 6283584.878 6356552.669 6492756.444 5639683.231 6136337.406 6264371.397 6029910.158 6148448.89 4286846.889 3412140.564 3942674.803 3675237.771 3085798.696 3278915.107 3340898.765 3287628.575 3807935.956 3239144.313 3722602.263 3778850.532 4147905.65 3708431.953 3483770.425 3185100.795 3056110.183 3401706.832 4041371.101 3730413.617 6317493.635 6455716.152 5870884.061 6244590.176 6295441.404 6414940.756 6703247.208 6457089.034 5850610.604 5865720.441 6475390.711 5120105.342 6352384.703 5782323.83 5867053.803 5214201.257 7350745.322 6496853.694 14283515.81 9882135.629 3981938.764 3860425.519 3349615.12 2385020.077 3370796.941 3418873.196 3520784.607 3150012.546 3880928.52 3297857.159 3854524.923 3751483.515 3930407.683 3604103.225 3437968.21 3126123.116 3221895.035 3307053.965 3541146.249 2911303.782 760493.2426 5323861.896 789106.3285 724053.5152 733888.9595 790535.8088 849737.2548 1168404.337 6017313.938 4919720.335 4183881.078 3845340.434 4457113.496 4376648.861 4249994.521 6284788.848
Adenine 434327.2446 654023.9656 525154.6975 696984.459 208287.4143 734059.8389 3481749.158 436027.4416 2503437.561 199630.1869 788235.8998 1049219.797 13820351 921318.734 378319.2071 895651.7608 617310.6382 1090899.21 885178.1686 1210980.008 766079.3571 1243090.055 650470.7518 815476.9934 335511.7375 804257.2091 503993.4882 1061903.163 777817.878 1162602.289 303549.0662 717977.1881 7634899.957 1072432.543 451151.8127 591303.3069 486126.1241 275245.8596 565200.2673 822468.5513 473490.6556 537819.3225 583759.1931 881589.9445 556197.5579 779212.6751 4788770.493 757310.9317 420231.8979 506001.8735 794127.1664 1043753.677 722004.5721 351347.7529 667670.5801 623047.4012 823634.991 588034.8519 1186879.293 1581255.579 538920.4049 906885.3278 795979.5848 383193.0496 743619.9376 674400.128 642200.4945 846988.0004 1151425.937 953290.0045 546215.8439 606997.7178 797973.056 575894.6364 7292596.704 955426.4138 632399.3847 1049796.209 362732.1477 343257.5409 469372.0128 332927.6323 260760.116 511568.1866 625709.497 186811.6573 21777.65526 566707.0285 1097328.069 1502488.014 813582.0714 375270.0565 411655.9632 80329.30535 330766.9449 1207087.119
1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenecarboxylic acid 102431.1804 90172.69919 64279.57254 46051.38467 125899.4197 229008.4334 38095.44402 98350.9644 49803.98881 46755.99821 99974.16173 71643.79649 129151.5398 61761.04426 188229.6793 73285.10915 61582.58605 62614.75334 91143.18873 187710.5597 175874.0737 150064.6775 121385.4983 131108.6959 60538.90085 64469.58506 87362.68954 93069.6531 49104.38284 70658.68585 119140.0824 165676.7462 106437.0144 90926.37842 14204654.15 12583151.88 63138.90442 91048.13499 102527.3797 163723.0671 199133.2171 237688.7766 152301.8131 128409.837 46288.77365 128165.1397 104026.1479 138619.2886 69899.29761 116991.8232 62404.14461 63632.24704 69279.28631 124101.7345 109264.2336 47812.43402 211462.6062 113003.4224 417544.6604 217634.6113 652931.6381 696805.4722 166187.2286 141005.8637 51537.17137 100728.2212 115981.6995 53993.89338 71917.03514 90815.23103 72654.36681 71538.15352 173616.9935 154907.1213 79412.64148 102087.4719 232451.1275 250302.2525 99573.89584 81582.89539 81499.85992 44440.71782 41600.41956 40888.48607 39418.39078 33848.95228 33399.75051 57386.43206 341156.9214 315423.9866 280074.8989 126523.8312 188364.2763 236801.2557 115189.1203 435267.3419
3-oxolauric acid 2677310.974 2695717.468 2882100.406 2987971.515 2652194.514 2971413.342 2834970.925 2261956.146 3001666.139 2484486.328 13068739.5 7082934.313 3742009.328 3722132.417 6172728.687 5816924.388 2733162.07 2862200.323 2950647.404 2881235.349 830471.5107 674747.5177 4066473.301 3796040.488 1108451.194 1168878.944 417972.6368 441148.183 2934452.733 2541135.062 1214961.269 1083960.732 1780693.533 1703717.857 560351.6351 492766.4416 6753190.113 8168000.754 1261529.948 1126599.162 6541904.629 6475345.161 4118178.635 3860365.828 3367481.529 3408925.659 3701577.097 3401889.457 3973835.152 4244418.313 3538857.393 2696036.217 3503916.409 2905277.701 7213826.078 6330231.248 3500541.89 3057749.898 6718286.948 10885746.47 630902.4753 552557.8642 4340729.618 3263408.918 661603.3132 659521.4689 826916.3852 775715.3702 1660035.264 1362849.886 847204.3813 866202.3619 4699732.331 4290411.903 1613750.315 1438940.932 1273580.074 1356027.778 4145298.613 3637094.759 438309.3576 278993.4869 314564.2442 219390.4394 457643.2315 549747.079 273481.7462 338565.8168 1947551.913 2387544.47 2105346.67 2045526.646 1888997.732 1742548.606 1476821.395 2765717.33
2-(2E)-2-Octen-1-ylcyclopentanone 1050590.635 1025800.27 963349.1867 1095046.866 1067418.524 986475.2636 935230.6542 987910.8557 853843.0543 949412.9714 987220.9394 1347269.033 914921.5265 1076081.518 946822.7919 875310.1698 785419.5009 761466.4676 954382.7002 815278.1302 1162395.851 1373861.228 999694.7122 1115746.351 921392.7721 1017146.485 800410.9594 856035.1971 811250.2456 777105.312 1012734.748 1114373.621 1019557.538 971259.0633 597474.3121 873543.6667 844522.8896 973453.2115 882924.4666 857122.2341 887423.7695 1115992.425 878780.1019 733558.5759 843295.9147 777000.4884 732979.3048 828242.0269 1043475.548 963696.95 710101.1666 614619.1604 991668.1646 704295.1633 859741.4351 992412.1487 640080.7416 872885.5489 18725403.77 1901077.543 679445.6796 915534.5888 807195.7306 994892.1357 1023908.477 880105.2324 787663.3707 791109.5329 975402.586 763066.0077 1203012.064 1393320.717 1061083.63 1099155.66 860302.7759 821088.5707 742066.0205 646071.4947 844740.5256 778720.727 1826317.874 1801728.044 1281603.846 1189277.452 1195185.393 1115937.115 1209240.985 2724449.398 1433582.012 1031614.035 1026411.744 782284.4139 855548.9223 906933.828 886521.3093 1795340.839
PPG n6 341474.8921 366135.6299 633019.5774 587150.734 450327.0486 464899.2535 420733.5673 360834.165 1045727.109 973580.6305 835886.9453 413281.8668 1651677.297 238539.151 491415.471 527596.089 676298.5344 674749.1643 853535.0631 917551.9673 200221.3254 202836.3221 643980.5185 727729.0054 257014.0819 250435.8438 403553.7342 350451.1509 535948.4485 486135.2159 201135.8359 188724.9309 920447.5458 334612.3627 417804.7271 412206.7302 361243.1813 452500.9014 416257.5321 381669.3901 243206.0259 240710.4895 199594.2854 246639.3329 222268.457 291891.2201 399379.6576 270246.1563 441789.4663 485157.4982 495027.9047 489780.9205 252707.305 257707.8526 948413.915 787639.4449 765150.9684 701884.648 2835333.996 1324544.859 345842.3791 226347.6627 255826.1237 236363.4884 270533.9473 238223.4208 370985.4746 334500.9361 637393.7031 604362.4468 241351.8257 318216.5253 403427.199 320158.5026 569217.6364 369098.0651 15686906.81 14986717.01 580524.2984 536357.7973 198989.6376 66319.65506 61636.92892 75516.5878 103668.0706 98339.14191 175236.6795 344264.2725 292334.1379 330753.6927 292310.592 292342.3284 375190.112 409954.1908 440365.8622 876677.1909
(3E)-4-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one 5075255.419 4724103.497 4603592.314 4725774.512 4570031.94 4849771.262 4430030.323 3709504.262 4708253.62 3591803.162 7729321.03 4757251.937 5475235.993 5590008.055 5939755.31 5812664.327 5931410.167 4370074.798 5472335.454 5254700.274 3927647.431 2902413.448 3556098.16 3511000.403 3214957.061 3141070.933 2951805.462 2820209.415 2728584.278 2123989.246 4173505.354 3706447.16 3632651.051 2922844.354 2856065.316 2432060.219 2063556.323 2640616.502 2810885.216 2869095.73 5374541.673 5671719.675 4978192.636 4725828.079 4378203.424 4741127.895 3946788.4 4353604.127 4594894.603 4298647.788 5367292.573 4786624.742 4244062.645 4058415.078 4973372.472 3666276.193 4395499.466 3680393.718 15081171.24 7989438.451 3252460.784 3421055.879 3276154.097 2717811.127 3407547.872 3323852.526 3168176.516 2914921.535 2863629.546 3583010.655 3916972.166 3815037.263 3682430.999 4356749.04 3633896.656 2931546.414 3126111.774 2608423.41 2687961.632 2202179.459 2938299.38 5451788.322 4590577.662 3911451.141 3770578.222 3505305.876 3297274.934 6257352.048 5073400.321 5800660.309 4738321.101 4093176.924 3467351.69 4110779.641 3734100.536 6999500.908
Dodecanedioic acid 1905942.923 2101899.517 600739.8054 607395.2157 2599921.822 2619972.114 188050.8577 164161.7839 2186697.596 1816357.447 2077337.797 1354217.081 828719.645 973715.3687 13323852.48 13381834.06 150342.0439 156134.8805 246323.7763 215207.7466 8404087.296 5801562.321 421434.9565 315839.7449 5630572.833 5164487.404 1149057.997 1162605.402 599990.1908 475015.5616 10851072.26 10034133.61 166262.581 141807.2328 71924.04416 68260.61163 298487.5753 387580.0694 1444407.174 1457430.348 3484006.3 3058305.931 1844438.468 1889006.664 105751.8936 114807.0235 1456545.127 1281311.352 339144.093 371828.7028 641534.2185 538865.2773 852937.1536 739106.1119 192277.7819 150663.437 1452957.933 1117717.099 2375125.279 3443074.871 882050.6384 813338.4745 2333099.869 1678348.075 99865.90505 128120.0243 683528.9453 597619.2395 1055233.586 958477.559 8591955.984 7336165.783 303083.1365 260744.2265 655556.7045 668117.7943 270278.5204 250142.1292 698177.0193 571590.8836 53616.02509 48938.09796 49363.34596 43827.39449 38699.77665 53393.39304 40105.14158 22712.89487 1710176.42 1849031.759 1629437.202 1492693.789 1527340.579 1290056.737 1161552.42 2333849.965
PPG n5 961312.0204 1072224.152 1405103.972 1413460.406 1047008.153 1110874.544 1064305.569 678469.0433 1357436.591 884187.153 4906355.392 2428490.272 5006376.225 1391485.998 1567890.766 1615667.117 1107538.331 1374909.192 765485.6862 763657.6318 1935501.037 1693995.472 2452157.346 2617780.489 1577202.716 1640251.575 1016602.767 1198502.283 1176848.783 1022175.155 1728160.004 1835449.939 2876186.322 1600050.328 1382836.415 1387106.016 784546.9511 825894.5476 1119278.615 1160403.303 1177440.959 1627814.744 936560.9522 1329577.816 776793.2417 905496.1286 1990013.891 1306587.094 1229582.046 1190040.344 1699059.734 1393879.116 929588.6872 887054.9129 1643384.454 1659067.143 987752.8246 991428.8751 7202326.808 1900502.353 1504773.998 1627144.587 1555692.213 1761529.694 1124382.553 1276532.517 1704670.92 1781935.988 875543.8638 869491.5892 1661957.248 1536534.418 1612710.614 1579004.387 2204568.236 1303789.131 13401588.61 13626619.63 1021700.385 826068.992 242427.455 449603.2993 423261.3309 458179.5281 374031.2123 388848.2549 307317.4667 637593.3926 1078196.583 1146421.368 1017448.858 989685.4197 860834.4773 765292.4003 717642.1769 1510497.251
Desthiobiotin 369523.4888 488648.9299 455315.7589 620605.5862 807305.6465 746491.2777 996943.2972 575932.8617 382115.2376 166241.9556 909026.8177 618505.9707 13015993.32 1107532.136 450536.3483 552636.6779 395533.981 456539.6907 301393.3972 450479.4703 415072.8751 523583.4639 866506.272 950977.8701 481685.1176 405014.7835 856845.4757 958111.5727 440027.5015 403484.3658 229876.3322 273548.9671 3685151.433 1145309.392 927405.5493 1004459.519 640788.6855 748309.0639 1567849.889 1536450.897 276497.797 378740.3306 639171.9362 864583.9185 339451.4492 496212.9232 968064.3359 642699.4577 608209.8511 1017306.633 494372.1287 498421.9493 973996.4035 1327689.178 578830.448 688095.4962 522921.6605 510660.8021 384523.2853 756629.3873 745783.4118 1069912.657 442621.3164 508296.3526 263551.2368 373996.951 189279.8026 327933.675 306320.9091 368088.4646 408429.959 417629.531 628633.994 648718.5615 1639118.256 368452.6334 676122.581 923871.2156 800361.4739 759365.0956 52567.38919 137135.9265 65402.64381 54636.6289 41615.79515 47998.20249 37587.5502 83027.5991 269678.2458 310127.7878 238878.8472 259628.4963 201058.9656 177068.3714 203403.1574 381216.8264
1-[5-(4-Hydroxy-2-butanyl)-2-methyltetrahydro-2-furanyl]-4-methyl-2-pentanone 1693163.042 1762569.808 1860601.472 2496403.605 1789732.959 1918165.853 2611050.135 1786208.84 2085703.151 2307918 11009763.63 6062754.096 2368732.279 2569262.445 3977494.132 3366520.935 1837252.871 2049902.91 2473743.131 1958354.909 993004.5722 685331.9712 2607843.729 2529838.965 927164.0349 793293.0076 485509.834 509002.8553 3293467.535 1919691.158 935227.9282 1145781.018 1289673.04 1319201.779 661302.477 510079.2208 4865725.936 6345196.822 900908.7077 1007158.292 3962779.601 3819829.594 3537519.046 2870159.4 2276631.729 2528383.862 2200048.239 2095304.844 2650470.514 2589251.082 2318942.537 2053995.549 2567445.792 2084441.018 5125422.552 4595059.758 2455907.24 2069670.06 13857741.24 8102135.789 634943.0373 828818.3493 3695931.474 2676386.941 919418.0964 521475.5963 837832.7165 790553.0642 1220035.34 1286472.668 858599.2152 973223.6387 3839053.325 3521741.384 1137163.695 1201268.069 799521.4941 954412.6821 2998032.296 2588392.534 288052.2785 416040.746 318992.0765 397577.0501 378769.7645 338526.6147 385814.843 1033744.796 1927948.293 1799668.189 1380294.04 1167166.576 1357641.852 1165738.772 1293415.621 2614808.911
(2Z,4E)-2,4-Hexadienedial 7449886.579 7269461.903 5338749.146 5169598.286 5690776.486 5384850.229 5050750.368 4497390.878 4881591.649 3897065.21 12792909.25 7583470.411 7515137.231 8070696.249 10001416.1 8940460.207 7296393.372 7130245.748 5510310.89 5420982.773 8843920.334 7516670.856 7284000.506 7224612.266 8599767.893 7856763.702 5258312.209 4686158.145 7011200.985 5916280.342 8043284.325 6414005.623 6751680.78 7339682.631 5543202.507 5134858.589 9324338.715 12234923.24 5905601.824 6031093.084 8381519.037 9199814.182 6382814.929 6047537.829 5737376.712 6477529.552 4850476.056 4381699.65 5766848.647 5305583.041 6432394.6 5335274.748 5029803.137 5027211.16 9871139.539 8682920.486 5847896.938 4974868.625 5189851.6 6237973.685 5276436.349 4781614.136 9891025.634 7468150.853 6871617.743 6693425.467 7412064.489 6728288.764 7724425.678 6715805.744 8685609.237 7526051.08 8401830.534 7792105.554 8376480.08 7605296.543 6718485.491 6847757.072 7674744.496 6123948.454 92914.70138 200730.0816 41511.57099 216025.8232 51799.93927 54678.79976 206167.4958 32594.66172 603704.227 635322.6716 793316.2135 717854.3366 604097.9903 597533.3988 665817.8091 685535.1454
N(tau)-Methyl-L-histidine 3841877.265 4045888.533 1419441.281 1611218.438 1301268.785 1744440.179 2843078.634 3910941.546 2081688.606 3992869.874 9967654.818 8027804.44 3450616.941 2252509.229 2922991.227 2547652.037 3687487.548 4799332.29 4437382.449 2736552.044 3624671.104 4821042.731 4897041.483 5002614.46 3660684.208 3188964.347 2220580.368 2121178.02 3365616.807 6902193.814 4335983.502 4623442.985 5644522.147 4050018.713 2815615.845 3869503.601 4081395.936 4537078.329 2888964.978 3466021.236 4584040.912 4143403.652 1867270.079 1246953.023 3222579.227 4826979.442 2745006.723 5201421.725 3150899.227 2267337.086 3224738.984 5816185.259 1241446.292 1163557.135 6268439.53 4282318.894 4035595.042 9242664.401 7108275.208 13719307.81 5804183.547 7476902.913 5797331.347 5593036.19 4868015.851 5301015.343 2076790.678 2130567.07 5854143.729 6669720.988 6926533.379 6710828.134 8751449.5 8129795.652 8209254.02 6753139.531 5233600.689 4654138.722 3410781.818 10285034.94 61256.86103 28239.01786 34641.09896 28371.25368 39522.66144 33329.72503 36318.49658 67179.5716 3959042.9 3824946.935 2547662.044 2628386.651 2926018.029 3125322.674 2889421.599 5050044.734
Indole-3-acetic acid 2807287.205 2961440.581 2400364.039 2419797.618 1355190.022 1348247.109 8757184.233 6965888.38 4052104.524 2956224.48 5553710.113 3389549.383 2325734.889 2448838.981 3960097.107 3436306.241 12429234.72 13054047.38 5947400.027 5324658.783 3904465.855 3350880.6 8066713.103 8384002.98 1313409.012 1369570.833 3681113.322 3686923.602 2800914.257 2350507.781 3640164.878 2884742.701 10950759.68 10402547.38 5266557.04 5292054.019 1061764.032 1230496.1 4641009.052 4972396.35 2627818.305 2716922.621 2590211.059 2576035.455 5058375.268 4764428.819 3849149.287 3681169.261 2899858.686 2967493.136 5657036.367 4742004.948 1962791.308 2043748.243 4077696.434 3302171.529 2501235.877 2085806.267 4584497.852 6531104.518 8570818.435 8031774.061 10497930.38 7393715.023 8249734.028 8510530.198 3445904.956 3154396.409 6572080.274 6209032.603 5090709.445 4695628.685 8483233.82 7716700.596 7076534.165 6288551.035 9201031.607 8548906.228 6653420.131 5356520.057 47232.04567 18231.10121 17021.86647 17484.37687 19095.22379 17078.11103 17083.20977 38823.84081 5412392.864 5521899.306 5183623.094 4674088.4 4633761.729 4535964.861 4108405.574 6676321.497
Uracil 7690800.137 8574517.833 4954262.378 5242074.458 6203031.129 6338696.465 119329.4938 82521.06862 72580.24146 100700.7161 190098.1115 188189.8665 13031018.62 310421.4428 6696881.285 165911.8996 6810518.573 193415.4327 121481.4682 120458.6546 128957.7295 112911.5373 7450180.501 7866104.559 104733.5538 132210.7291 281490.8193 5634762.273 89460.13496 97994.56414 5952816.583 5691339.349 139585.5464 280778.8592 180150.1939 168887.6865 122854.6888 84534.10485 159067.3779 80165.5221 9655553.447 180505.809 8018332.182 8011487.918 110018.8572 228629.4815 107357.5687 100243.5836 5280701.096 5571375.96 277060.4397 143124.3845 102484.013 104726.5585 5513738.305 5628540.384 130473.6992 125058.3019 155361.7405 177695.1421 171479.0285 163386.9465 14257159.56 11733140.76 6217190.927 7415610.015 111644.4371 115013.231 95985.0652 112560.4633 1026095.938 291287.269 164005.438 152081.4525 126013.7575 140467.0862 160655.4174 156021.6017 93590.55831 164298.8066 208553.2744 226942.8761 62094.43051 185987.5127 178068.0169 188473.9964 155107.8268 40314.04141 6049765.222 6687205.394 5985655.924 5898440.269 5950987.739 5830554.051 5603478.183 6744031.154
Allylcyclohexane 853801.1768 802013.5916 768533.7162 650043.7873 685736.9566 581980.3141 734141.4925 707168.9937 739971.6031 683430.9142 962294.4035 751937.135 855076.0358 855590.1136 869922.864 906008.351 766170.9177 715255.9823 755349.2044 763725.3229 905580.4774 963828.9634 865915.0217 868879.5418 856998.1361 954115.3643 673251.5144 627417.2051 686978.4659 676534.4253 873735.8545 826607.424 907240.6374 920005.0389 670542.2086 625151.5231 750026.7838 672369.9282 799181.8427 702265.2868 915355.8957 947236.9957 696963.4787 758511.835 615199.0528 706454.2212 602460.0326 707661.6453 807485.444 668834.6014 836082.9856 776274.4709 641905.0955 684921.0064 687830.1682 697353.1412 638146.211 747286.7338 12926208.6 1046158.096 881235.3464 924972.1007 721310.6323 788750.5625 718514.7636 825879.5578 730213.0257 1073911.507 709559.8985 614900.5585 744857.1248 858653.1294 986297.9029 902719.8843 699964.0836 689552.8238 697813.2909 718242.4732 582560.0574 567204.7112 889670.8857 901154.714 779025.3026 844842.0665 745843.4198 773515.9211 725838.586 1017942.164 830402.6726 899471.1906 818239.1885 755832.431 673671.1904 880938.7777 627661.2932 996094.0399
3440 400864.3461 471621.209 365840.5582 398021.9075 313464.6278 323113.909 314257.4042 345318.9309 322080.931 389911.8986 482308.5184 437376.8515 416738.1332 410236.0333 317978.2239 407677.0501 267003.6386 381524.7961 349202.7599 336044.9439 542548.316 487492.0021 380112.994 449450.9038 484855.8443 411200.7974 374765.2251 354400.3654 377766.463 404727.3162 375905.5267 418473.6814 513653.0435 449443.6116 405345.6553 369647.1875 353522.7906 312855.8643 498480.4585 359042.741 347689.3129 382614.8229 343959.2555 450388.346 388201.6733 376435.3444 307798.8457 416402.2121 431572.1847 379343.6614 421538.4648 400998.8124 361564.9777 369680.2647 316416.8706 293612.468 335524.2055 355784.5906 11099740.9 454576.4939 464968.5627 455482.6066 356574.1594 436889.7687 474963.0113 521081.0149 444400.741 446524.3904 286444.8137 384095.8459 436538.3761 443566.9528 483002.9917 434631.0052 458562.318 384335.2218 389873.6455 354234.7223 363850.0806 303568.6872 597362.2655 451219.6991 487333.0686 345830.3983 393455.4499 317657.3969 325379.6434 398091.8989 414421.1823 391161.8044 349288.8603 351809.5928 398924.0911 348340.2317 302966.7253 452443.7522
MI5550000 601080.8797 598112.7629 474788.2551 650560.3763 601927.9317 660379.3762 398424.0105 507172.1678 411845.4856 513981.6171 636102.1402 919257.7626 555664.3638 699303.5591 579353.6477 852586.3569 576239.2372 451844.2001 454125.7499 520324.1252 946005.2922 1072267.989 538705.4014 647083.2618 973163.1641 923265.3075 595010.5718 555435.3223 638166.4762 618048.6369 965047.2754 943059.0242 670199.3976 656382.4076 406477.8554 518219.6177 638454.6027 655122.6067 578981.7818 615725.8831 583530.1756 636112.3534 531439.7552 672924.2672 488394.5173 558451.1286 425744.0213 541297.3113 515664.9344 541862.6741 656217.5366 565763.3235 474766.5573 477688.1863 496595.7112 429320.3468 444199.8119 477070.9272 14359913.91 859542.5564 497224.7066 407997.7551 652253.5787 777901.1929 699265.8325 791508.7723 884566.3536 893845.1607 534515.3278 510294.9027 949836.8327 857862.3486 773352.8911 832722.2998 679437.5779 642960.4796 601356.1263 653600.7616 470148.061 536146.4384 1895247.332 1438725.812 1133341.985 984737.4552 827489.9867 801648.7694 735268.2456 1516450.541 792334.8651 768705.6432 783810.7709 527997.7002 581338.4357 570229.3589 512735.7741 1087439.211
4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)tetrahydro-2-furanol 6340679.807 6654891.021 6496773.597 6856783.046 5977014.453 5594503.815 6525788.226 4666565.339 6137393.639 4793198.183 11391577.72 6679871.835 8767461.32 7183964.68 8654935.14 8556283.444 7717332.51 8752073.866 7568650.045 6613320.71 2976593.369 3109833.245 3820399.27 2601182.182 2368742.44 2365557.297 3115589.277 1837240.374 1972350.776 1560940.425 4802950.226 3033474.784 3539133.26 2976537.048 2926810.74 3530304.542 1364884.937 1860537.08 2716385.539 1673402.87 8998796.143 8937100.961 7667035.977 7517655.14 8857028.066 8658236.158 9415793.603 5328634.358 6489692.091 5306230.479 7713236.516 9192715.685 6495642.475 6247214.19 5522738.712 4943540.2 6578106.841 4964825.111 11655328.07 12776686.52 3196268.764 3607125.682 2359248.093 1859778.719 2670019.468 2372764.038 2599658.642 2506454.728 2036791.84 2304456.157 3356103.189 2620888.951 3147261.105 2459062.583 2752743.441 3961693.818 2267897.254 2028592.141 1887968.104 1416140.531 422363.414 505136.7877 513420.3879 319610.8921 284576.3812 240978.149 193720.2969 497205.5799 7703415.238 5523439.131 4833416.313 4380768.057 3915904.542 8487994.896 3202118.286 7776884.664
3,4-Methylenesebacic acid 2648688.193 2489157.814 2469809.918 2541046.56 2457245.779 2593385.445 2390345.226 2495043.723 2477069.988 2284065.263 11098578.77 7190042.476 3023394.546 3160195.079 4027208.42 4178378.101 2479469.475 2564510.818 2196026.294 2219832.341 2875460.443 2770772.098 5691508.103 5082178.155 3031300.546 3135562.799 1956427.964 1896122.238 3483561.851 3475457.402 2977306.037 3069228.123 2946313.56 3002665.863 2117298.191 1960338.328 9617898.476 9771961.799 2385416.098 2324998.876 6730797.243 7478002.179 2935837.75 3387585.575 2852306.144 3203902.737 2769907.972 2629957.513 3702081.135 3683129.612 3918249.286 3480513.538 3761636.567 3576970.803 5648071.402 4515248.396 4302760.742 3864201.601 13439835.1 14200215.49 2678013.154 2698046.245 6958498.834 6149342.418 2345185.948 2321524.282 2546187.095 2401876.223 2802186.378 2850602.39 2634831.865 2685332.28 6280780.766 6022208.999 2712782.172 2699115.439 2247113.622 2133919.569 4987412.474 3955692.218 1797855.83 1890023.246 1805157.598 1682835.262 1585829.558 1650711.532 1636377.835 3275789.708 4658440.12 3943005.015 3448636.565 3410758.49 3141010.631 2915756.585 2921190.642 5826460.68
ala-ile 103784.4463 118926.1008 205584.5887 201444.9977 10776696.42 10840746.93 92598.64282 93279.94984 296605.1378 148227.3664 69703.72798 37936.81916 6422302.128 6843917.009 2083482.904 2021899.447 189505.8458 201215.0255 231279.0585 232413.1193 768638.1245 576161.5618 343889.9854 302392.7841 50256.75417 44041.82222 8133823.53 8188445.939 212962.3417 147777.8053 304241.6883 263996.2239 184428.9514 187419.7515 143012.7583 151855.1356 3104683.921 3857435.808 88101.65018 131477.1319 112329.6507 91877.84839 7141335.28 6919115.565 75172.8348 68836.55413 84772.86786 83337.99884 132244.3107 133713.0434 126551.3265 136396.2064 5127570.793 4739345.249 185523.9339 162178.9977 155406.1328 126607.349 467271.1135 255503.6161 35382.57449 33773.39792 11886197.95 8847450.111 85851.52462 72284.05421 126162.4083 116171.7927 591814.2997 451153.9145 4245523.278 3707359.583 206557.7251 190493.6948 257017.1127 260805.9497 517618.2138 545531.0197 1988616.105 1735453.482 45954.02571 18441.66983 44808.46861 23201.34622 41368.11914 26034.62169 26559.88419 59155.38967 1663829.223 1811834.213 1665015.016 1599040.758 1269523.572 1348292.143 1214189.279 2278999.246
2-Propylfuran 923589.2326 928285.1163 893915.6754 7901707.518 888403.8943 879575.7511 773556.6309 749580.6377 6759707.918 6598833.714 2606680.601 2144315.268 1376255.303 58291.33394 1656142.693 5293650.021 6692391.495 935446.4856 9359569.851 8065026.509 1116833.493 1149579.259 1367589.883 1262666.003 1111310.132 983547.0366 73385.63823 752732.9301 720800.5742 708090.9422 1189619.522 1265661.155 54564.35589 1051873.178 97769.96323 791372.5916 1035249.332 6466612.079 603063.5129 575479.6626 6707275.515 6910148.784 1120859.248 1236069.479 117734.9183 1112382.572 6020545.882 873769.5902 7653986.233 52888.95946 1131693.034 1056454.603 27113.22114 898111.2959 10453920.44 1154075.995 7199810.788 5251853.384 2392656.507 7498902.136 1142654.87 1161564.751 1377773.78 1345060.723 832287.2769 958817.687 839107.7858 895700.9882 737539.478 704671.5562 1309590.813 1194096.375 1730140.473 1565168.426 866424.5169 848488.0407 995618.9279 977429.641 3706778.775 3686757.62 172639.0124 990687.2924 916442.5292 52711.51305 612704.4135 555352.3062 498751.9054 305829.8809 1736712.488 6825666.21 5497858.083 4715345.154 4581767.405 4887192.553 4361608.588 6507825.474
Crotamiton 866660.0033 902173.3173 788609.0566 774680.1733 837623.1031 775788.8528 686000.7227 819622.5056 833944.3513 693948.3084 1305179.233 1394214.358 940884.6795 1132479.332 924080.0911 905596.787 778484.5294 869896.2331 687386.8565 761776.7531 1228019.402 1253482.24 962541.1511 1098133.979 825077.556 964826.0644 748642.3994 783156.9379 765462.6787 769814.3315 1422907.272 1501994.574 980290.8938 1049527.655 729920.6785 800336.05 698538.6397 856901.743 655061.5744 1014478.322 863631.928 999746.2863 788996.4132 804529.2845 834732.337 739669.4743 583318.0099 748319.1779 868363.9549 817774.3713 695981.6323 900525.7297 635414.8337 692473.1788 860068.8138 803411.1053 611893.4705 889699.2645 13473353.77 1452499.445 796229.1039 900337.9802 1055698.245 907302.0996 748550.208 1019419.261 856412.2834 951315.5239 661086.1665 767408.3386 1316253.948 1607428.116 1174750.936 1434017.266 891255.3518 921412.8692 820762.6278 1334696.235 894926.3573 789267.1248 1351623.978 1093241.679 945287.9685 857379.5596 1099542.644 855886.8437 992738.8304 1741871.602 2607271.324 2209629.007 2184495.445 1854869.408 1745433.794 1825930.781 1705907.038 3184140.711
(2Z)-2-(3-Hydroxybenzylidene)heptanal 5226607.808 4987126.719 3770389.05 2512257.952 2288382.46 2785538.529 3044691.954 2361999.173 2597429.606 2390223.455 9814234.81 5920243.597 7598846.065 7512119.128 5428723.906 4751227.056 4891210.533 4883148.311 4552978.565 4321579.361 535862.5416 684124.1816 393916.5481 409905.8707 686316.2663 486448.6632 325109.3872 495064.8606 478149.4809 607664.9105 685694.4733 348418.3485 502447.9824 643822.4698 538452.3605 746862.2936 239722.9745 391255.2402 615892.9853 642906.5046 8379607.721 8803743.599 5376647.044 5432167.138 6266735.805 5320421.95 3609240.604 3295165.217 3075303.617 2714772.771 5839514.731 4815756 2983652.512 2651124.634 2809274.246 2313552.251 3168711.156 3041735.25 6246241.251 5694044.28 604061.4059 587460.4226 353254.53 199614.5002 655266.8368 595592.5464 446283.5138 567622.8291 389456.0602 536530.6257 465404.7662 585299.3305 539887.0354 359702.3507 645763.8046 486710.9784 321859.3915 479416.3088 389665.5903 359955.2711 429077.2827 344331.0825 303155.6155 520134.7567 442521.9983 353645.5831 482965.7885 770605.3273 4327118.652 3803927.457 3369973.733 2951625.239 2821012.057 3078215.916 2806543.554 5763209.712
val-phe 197640.1804 190430.8755 216346.114 189902.8865 186636.6144 205383.1387 262126.4275 206052.0942 279030.9853 211573.8541 952674.6614 213617.7864 488774.9226 287049.9142 260278.5935 429221.6113 389462.8292 327833.8559 276043.2066 286361.0864 371338.8104 246508.3522 245394.9368 264596.8254 312739.7935 248282.7277 305151.9066 279129.515 273525.2482 214040.9556 461051.5392 266714.2635 303298.9779 296033.8109 353593.4267 373349.3429 242616.6128 376434.0078 333786.1838 342933.7554 413705.7643 261509.7575 453923.2107 546671.4145 215556.1527 258038.608 286911.316 304019.8028 158075.5013 174382.537 348501.6959 310612.3184 337388.6123 242217.0253 232252.5261 239639.2457 397290.0053 302687.8437 498170.4039 461830.0761 1138848.59 1062474.916 2552059.587 1501098.27 318702.3124 315010.2978 5059443.641 3627426.042 292845.0824 241990.5004 10894959.79 8163191.882 351026.642 358519.7151 285468.5405 293363.0327 893305.6402 1099335.727 1849976.51 1642622.133 102379.9897 28510.02432 25173.58074 24149.60217 25098.05461 25105.8486 24366.86125 42451.04079 896098.4191 931686.2384 591186.8891 970416.5395 459014.7993 493293.7006 578952.1318 1308479.805
MX5800000 746159.6017 598419.8181 505392.8853 515642.5631 1674882.963 1603615.588 608230.2941 522197.5608 499410.0294 477571.4648 8456794.812 4678903.798 1835881.923 1709971.627 1955570.259 1923094.423 649587.6125 549504.2754 607716.8712 477096.267 747483.159 439748.8093 1628910.61 1586833.063 672435.2961 619188.0965 996135.7438 832166.8053 2977763.701 2821024.473 648478.2991 695032.2101 944879.6761 950978.5045 297029.2956 237553.4641 7734041.729 11201050.55 608564.024 541503.6546 2519868.678 2540306.44 1882597.583 1949143.785 907263.5456 913277.2094 1109708.388 975198.5773 1601116.29 1696347.592 879176.0741 655690.0796 1458943.442 1437575.35 7306627.002 6029100.57 1587517.335 1318100.751 8353903.833 5921445.965 407059.4169 289485.1629 5753853.867 5306581.695 370280.0551 381189.8415 749204.4936 576691.1423 1212327.575 990312.2685 1027577.289 703343.8588 2849037.574 2466212.479 1210743.169 1284461.474 10107968.19 10260221.43 3602225.304 3133674.09 615387.2269 579241.2371 514186.7348 521808.2024 448067.1333 18115.06978 374165.7527 25642.55313 513404.4263 616035.3687 541790.1935 497372.1666 601283.8117 437257.4918 389844.6662 681459.5382
1-(3-Furyl)-1,4-pentanediol 2967271.298 2923270.582 3304035.392 3753974.755 3686059.195 3371212.835 2619939.679 2832991.128 3054970.727 3332871.953 9493632.636 5357034.986 4137802.614 5026046.475 7009428.513 6485300.69 3487254.654 4087889.037 4804925.145 4450034.631 4034374.282 2905117.574 7607957.527 6072656.892 3884050.446 4587165.175 2839175.466 3492159.478 2593558.4 2322905.872 3268552.106 4172065.37 5059363.868 5591029.151 3566961.274 2785738.127 3059724.708 3785612.614 3066982.466 3223937.171 8722029.836 5968795.055 3694156.929 3513518.497 3791496.391 4043130.621 3164382.796 3247830.738 3522202.877 4732767.264 5219355.161 3868943.977 2939749.888 3508981.043 3797920.924 3401025.463 3467797.947 2760913.746 3444459.157 5409101.532 4253912.836 4835689.65 4422703.849 3034450.116 3038536.688 2711325.755 4104852.36 3222678.068 4671981.001 4042120.569 4371526.771 3236143.721 7248492.148 3503926.596 3557282.608 3307966.534 3206312.761 3198546.581 7185679.535 6316622.331 2171825.427 3001363.323 2313016.858 3323535.563 3877051.115 3782984.738 3061263.865 6002477.009 10301534 7311990.239 8311481.611 9146347.316 7333353.137 8472644.873 5532644.725 12156944.9
ML-236C 481588.6027 535268.7667 566710.4818 528467.4056 530595.9124 553402.6891 499296.2451 487924.8502 441668.1782 319613.4817 908491.1097 1119745.408 526176.3476 614111.9459 790124.4653 703982.4654 514973.4083 587036.6705 527330.8668 719849.5863 856016.9424 839065.4436 586670.492 547102.7498 836688.0619 846371.3017 430403.7654 416009.4072 400692.9503 475811.4942 1113598.753 932664.1786 650891.9495 471816.5817 371512.718 396323.6494 496809.913 392829.4392 468453.5246 559413.2082 683473.3931 603066.0795 489801.3605 509392.4704 466523.0769 486620.5765 531882.0797 492438.6299 450111.4358 812021.9268 595036.1784 632557.5042 457076.799 325139.7502 492686.2155 375085.8527 391259.3838 400857.6777 10636938.65 538206.5967 558630.5406 608619.1369 824377.0662 809492.7684 584344.6259 687746.1501 659536.4135 721022.1534 364510.5102 385108.0504 754026.2064 939951.7816 651975.2311 1216063.37 634960.874 565206.8717 558700.1663 696237.0328 423010.1265 423695.8623 1742054.075 1129676.899 853132.914 761980.9175 638822.0574 594209.3974 531263.1411 1154928.499 794351.4462 642220.1463 578751.4437 562854.4603 436283.6461 451017.6437 336772.1717 988889.4772
Styrene 6775644.483 6868415.67 7835644.519 7429341.451 6660580.842 7010126.259 8017750.671 6886192.271 8429108.787 6716824.354 3860500.771 6360904.745 8096459.079 8334924.146 8556427.616 7809234.929 7612265.168 7606777.799 7008733.667 6851173.96 5706026.65 4637245.1 5368084.657 4872966.918 4175588.611 4319790.833 3823986.045 3662471.335 4398846.099 3756070.837 5037882.119 4802052.789 4952135.803 4750650.003 4493505.968 4383124.21 3368372.778 4050558.433 4291878.509 4253596.762 8201100.97 8776585.882 1899326.169 7400356.932 7607320.682 7741211.579 7845416.427 7535865.942 6954530.849 6962734.26 8166605.414 6779404.122 7747767.423 7073572.65 6442501.921 5761648.303 8555791.633 7079787.629 13520889.5 14193271.15 5570120.863 5426800.635 4410093.461 3189229.384 4244649.927 4377966.619 4364682.61 4240167.277 4469595.015 3641631.621 4753257.455 4741883.416 5415514.143 4613906.749 4475737.465 4122173.117 3944517.559 3835996.819 3819249.415 3088972.636 754122.9115 1308783.648 1122454.637 948932.6032 910574.4654 902166.7274 1002707.527 1695732.421 7194829.668 6323086.1 5537851.937 5117429.07 5116126.585 4789442.101 5031222.031 8887683.647
Ethyl 5-oxotetrahydro-2-furancarboxylate 482670.9573 663408.8048 255562.8977 336296.5002 475323.217 547423.5167 348222.5763 268514.1835 420103.9459 282339.3871 3479815.046 1863777.291 886443.2773 614277.1374 1171765.099 976465.2213 498327.2841 505955.9654 633938.7649 705304.0141 533000.8987 437262.4251 1261340.133 1243813.394 774408.0041 728950.6134 403070.5564 443132.736 957635.8458 715844.7119 429195.0818 399962.4947 734426.2169 617691.5449 384438.614 436222.7448 3026651.243 2730465.847 360493.8316 361413.9653 1459545.033 1492303.52 1030036.449 1195584.53 504401.1967 507257.4608 599030.4097 480822.6778 761696.7007 707329.9555 673481.5602 616384.5142 583942.1206 401007.8372 2297514.362 1836593.067 718972.897 520695.8929 2133128.806 2186205.976 641870.302 627552.7742 2394845.072 1563624.85 645006.452 636309.1246 504549.6308 456530.5263 1104373.933 910631.5775 396782.9456 371656.2216 2050720.81 1612737.902 993293.8705 882764.8807 11720710.51 10130510.46 2437942 1524616.322 294129.4594 67821.73587 57603.47395 50941.84826 48202.60808 44981.18229 309234.3358 474460.6571 299670.817 496447.2348 394867.586 497479.3005 422987.2713 320942.066 365585.4557 437790.0024
17a-Methyl-androstan-3-hydroxyimine-17ß-ol 1129487.814 372236.3668 818192.9902 703810.2213 9499759.234 9732554.704 240873.6785 215081.271 170350.6063 159846.2391 2817927.602 1835873.738 13807849.16 12741891.99 3352750.435 27565791.37 468949.125 441432.715 403962.647 405859.5041 37891640.79 5363617.5 4016426.435 4435593.402 730978.1236 566994.8636 4181729.801 3618411.86 205465.2915 172150.3273 2089977.481 1947713.579 814656.8021 1329387.544 907041.547 824989.6045 259080.195 2506276.08 168502.879 155534.3954 1145980.939 932358.1308 6707894.154 5630702.858 432275.8957 440886.1627 334461.3423 307762.5594 284638.9304 265435.9034 711038.3434 632740.2038 416414.374 325900.1333 224424.3039 194299.9829 210164.1504 175545.0758 479674.4225 430602.3066 2351974.23 2219447.62 3037699.997 12445414.12 574848.3836 600839.5005 579821.4694 401045.4369 2640136.761 2208538.37 30633702.05 24928123.24 2243384.652 1748326.636 1398513.896 1224717.688 455670.1979 547148.4271 726248.3197 864273.3362 463536.088 146197.0711 94572.49506 79839.40852 65207.94975 42640.15434 37904.05017 53708.07533 3608676.524 1350706.286 1147258.77 1549501.872 1125782.719 229430.2999 692112.2119 1526154.494
3-Oxocholic acid 40938.58973 43213.12473 304532.7911 301817.9284 47057.32787 47943.4213 43995.92834 219304.1273 504461.8244 385742.8497 123476.0874 46531.39133 198659.0849 44312.31553 65387.27484 59858.44953 300093.5384 286763.7298 864168.472 896617.1397 9279673.014 7001590.934 37558.18976 31932.38714 39854.1775 91385.69017 378662.837 372651.5368 120609.5041 122655.8684 45422.61198 257209.3606 56994.75718 75901.31446 740309.7566 752990.3261 44476.78935 130412.0434 6422555.448 6028591.372 41248.91448 108859.3661 4013057.312 4151330.342 37753.81325 292757.2702 37397.30691 46463.04403 271502.2084 247319.6686 56626.31583 56667.91861 1715114.432 1794871.456 63142.46313 201231.0768 140772.3989 122593.2089 899923.1492 1021546.256 486972.8774 433141.68 65740.24338 47964.29184 46024.30406 39372.12417 48510.64344 43765.18449 522805.3167 405239.0691 53548.14934 54251.97067 53911.14656 46907.7954 887548.7959 711394.4087 431119.5441 419353.6561 52865.76271 43240.8261 34329.61531 23181.92432 26768.87221 28966.29947 34176.02675 29610.94109 34701.15367 74452.24759 670827.886 707537.4839 623995.5618 589376.7939 508945.6023 410763.1477 431147.1803 1070945.923
muramic acid 1348478.464 1078160.395 898320.1425 999587.2582 1583482.303 2400612.79 2049386.397 2204542.158 610518.6294 498920.2724 1906706.089 1892873.513 3833088.417 3536184.541 1702661.446 1367898.264 2502917.463 2952965.069 1503619.305 1913571.84 1203590.406 1144319.864 2582873.448 2617723.151 1143324.739 1435994.937 1570522.538 1520607.719 1448263.326 1385178.871 1990442.022 1902363.432 4571580.277 3404809.823 4396374.235 3786714.057 1099496.972 1049539.165 670417.1941 891167.1609 1923473.203 1651993.088 5476930.531 4837641.927 2144141.471 2410993.971 2682007.876 2348489.704 1616323.435 1632227.42 3303069.308 3166553.002 2554936.502 2924539.239 1362260.821 1993544.475 1472537.257 1748441.426 3948120.496 4457138.404 10193435.91 10052025.41 2261353.852 2212955.617 2835844.067 2477273.361 1562708.715 1812274.384 772735.7073 806392.2916 2011183.928 1957455.22 3209556.129 3164062.902 1040293.935 1269369.867 11195635.17 12712750.19 1009095.499 1374655.992 177615.4247 78965.72307 47837.00954 48243.39669 48406.36636 48252.54115 49493.6254 89643.48221 1323857.899 1323857.899 724769.4376 742125.8442 656573.4804 728241.4982 658858.61 1127547.677
Orcinol 644046.2571 652682.357 616012.5092 572762.3619 868215.299 782114.7377 665999.5749 560576.4654 766228.4028 494654.0727 9008107.055 4748689.941 1176949.022 1126926.967 4205516.138 3751793.764 871721.6641 731826.1562 663736.2741 618232.2044 668545.7151 465261.7825 3365481.538 3413672.595 868970.438 945895.4804 626245.3837 711773.3024 2490204.199 2203558.728 711513.5198 679792.0843 1262797.655 1162021.302 283071.3181 503514.9759 6443654.203 6997147.69 1021371.959 956510.1506 3698396.197 3668597.159 2105832.362 2142008.895 969239.1494 1084647.229 1044563.597 1036642.602 1779678.582 1883990.404 1030812.163 746281.8631 1340017.6 1243512.855 5835851.474 6320938.215 1514167.854 1288270.107 4147545.147 3952772.714 558636.4899 466356.0457 4412568.08 3108371.818 442601.9267 367842.6283 950849.5613 865875.8083 1594908.69 1321269.777 798226.0036 628496.3518 3767945.933 3377590.059 1560342.795 1457695.013 9381789.974 11383439.16 5700192.311 4603461.669 501499.4223 46283.0122 423499.226 364660.9886 324320.621 298195.8458 277892.2409 29528.15966 468490.5931 583937.9085 716466.772 585376.6159 651560.9305 484883.0901 511311.7065 634942.9295
2361 2405150.435 1977580.376 2319037.404 2317416.599 1869377.845 2071992.988 2298073.997 1967685.319 2131924.419 1908186.312 3885496.9 2429102.124 2210890.429 2715651.435 2470416.926 2341515.609 2194553.868 2309007.963 2336794.079 2026894.447 1130091.481 966483.4934 951444.3841 929457.5732 1290500.007 1129333.8 711276.6514 637956.4107 689757.235 673869.4998 968872.5616 1055725.706 820296.2987 877422.5364 736773.2811 756317.3155 804410.46 938989.5236 720176.3224 631921.4752 2797129.978 2896390.039 2222312.613 2153403.049 2361076.478 2480616.788 2272678.815 2414288.334 2284967.353 2040891.881 2445615.754 2082444.617 2144167.87 2032224.329 2108552.705 1829517.68 2280878.242 2249508.792 12008901.92 3411243.834 1007187.017 1249293.725 1171070.342 1051895.936 1140127.456 774105.9027 846030.5789 897351.7618 1089752.625 741976.6117 1057065.39 937409.7708 1023734.684 1131383.095 1068446.603 1610374.583 1164259.679 1059770.162 950809.0722 873325.2868 760008.7579 902842.5526 827170.0493 696741.1258 758225.0443 602703.5326 684502.1846 1001042.459 2166842.017 1882780.879 1657201.157 1579940.434 1437242.062 1248059.914 1328775.132 2784062.073
MDPV 459156.2416 461025.828 317707.0244 347994.5817 412267.2911 399332.2836 448021.1868 496274.9998 355505.9427 426085.5413 696665.1793 690762.8099 455687.4675 611066.0974 462259.2393 509036.1154 357771.3298 287840.5119 444087.818 366355.3514 774763.5295 745426.6714 407463.239 398458.0702 509110.7139 475444.0902 336886.6788 383468.0371 380661.7538 446151.2269 609925.9944 616046.2744 536791.6558 575344.8377 311888.369 362638.2975 630331.3063 453505.0116 343534.7607 393960.085 535996.047 534880.6408 514538.4545 607334.5046 401055.9888 401171.8976 366314.0751 373085.5552 405375.8678 378765.122 427205.4242 418765.2386 321302.0607 408415.5231 415686.4573 333032.1497 393177.3024 378546.6652 13288216.24 913712.2092 502805.0894 463520.4936 370054.9024 395392.14 392259.1796 509791.3646 426607.2467 461223.7461 307983.2182 389169.9891 593611.724 669853.6169 597939.7056 429016.9547 390033.9908 391238.2407 399176.8326 365577.7038 321959.8291 311884.1175 846428.5824 758601.5686 347450.935 515198.8456 447238.1138 406730.8713 512573.2733 1096687.092 721195.7659 508097.7421 481706.2942 377271.2637 410387.2191 407113.1301 393538.3411 891726.4109
4065 694323.9384 648888.6203 1605948.698 1631194.617 1916201.641 2485181.213 991938.5367 505009.4413 1433432.597 645406.5712 784778.8184 270964.758 822107.7883 797043.1222 944658.5107 880757.1229 1656672.847 1500313.471 519365.9082 486216.329 382367.6429 308539.3122 3836277.463 3203033.126 1383311.75 1303823.947 1379000.803 1762548.467 852042.7029 683948.0422 1165825.491 859869.4669 2323931.65 2379583.47 398175.1136 409707.3407 705214.4882 1323766.174 2657026.641 2327896.773 4417401.77 4333477.169 2168855.558 1665239.536 1038648.843 1151756.021 3112349.825 2928312.977 11068834.5 9994099.02 520037.5092 482864.4946 2311925.631 2175640.064 2088970.741 2012689.656 1949864.077 1448395.842 1675874.15 1287049.091 532415.4875 435802.7089 2722821.792 1573733.649 1080323.551 928017.7095 1039643.261 892850.6296 962580.7561 679643.3566 1113539.794 1149414.816 2904478.864 3577070.052 995206.2187 941059.2998 1701298.325 1551224.28 5362308.633 4653467.866 130250.1863 223271.7375 180446.7152 310033.9739 310123.0941 312320.7392 143341.6131 311707.7109 253208.1509 364553.5132 416062.365 476484.1435 405360.0002 299962.665 273304.4924 515440.3917
L-gamma-Glutamyl-L-leucine 3895431.317 3897752.34 2779461.29 2713500.885 3827654.862 4621751.075 5060811.019 4426308.097 2760329.628 2215439.337 7603611.106 3965083.214 6312459.57 6039302.075 4994114.425 4008172.113 5402555.017 6368781.41 4574450.754 3877293.627 4283875.17 3242994.863 5034753.331 5047187.636 4927630.339 4118614.865 4600167.819 3961024.564 3440281.022 2810442.682 4848483.775 4684356.165 5535159.951 5910171.241 6271727.816 5680479.312 3668623.426 4602230.182 3465789.963 3462106.17 4712418.182 4516741.574 5581594.076 5954281.583 3482622.198 4447238.729 4061634.129 3659856.696 3604816.482 3693520.95 5007749.253 4658078.084 4495263.691 3908315.749 3615770.098 3322278.328 4460930.014 3596769.178 10907042.98 10470059.64 9252326.694 8081727.302 5936259.894 4599827.525 4989678.459 4847583.014 4579564.949 3771140.543 4418567.092 3736729.878 7309747.276 6243664.824 5958074.449 4896564.416 4794497.187 4378035.647 7476872.025 7265086.593 4956504.925 3592831.885 66819.46178 18302.62247 28226.12819 31215.11747 16682.99628 16931.8902 18719.11085 68297.94677 5361265.746 4810457.96 4167384.169 4654941.02 3454188.507 3334177.405 3520586.224 7340694.588
Glycyl-4-hydroxyproline 90940.00032 93197.66336 97258.95271 102117.6536 95513.00533 99849.15961 709483.3174 58387.82739 280398.3674 58275.12467 217405.9797 49616.6704 9806695.28 198158.9367 1072568.452 72615.18955 764992.4462 74664.33624 63057.00465 75252.15618 39120.19641 46067.16893 75582.58489 83837.42239 62480.29004 50855.5944 452992.5776 543192.1513 81882.85794 49373.70704 711617.309 654574.7977 4353188.372 153489.7705 79334.86892 69042.63924 45988.50128 63146.40393 83303.83067 83157.06315 51133.3128 51328.61692 98724.8915 125208.2402 74618.1141 76426.65462 1375758.858 38503.05779 76268.34456 94405.53771 87856.25436 53785.08291 72749.27081 81012.63862 705493.9184 642945.5409 62685.04625 72521.84946 85157.14013 116168.4862 49089.29759 72764.76808 59236.48306 51545.86579 463643.6087 69476.52909 64746.32392 59745.00424 44483.86253 45833.93996 558175.3338 650862.6708 86028.56298 802324.4838 3052175.899 76316.69453 81879.84203 110614.4728 64243.45968 751769.9044 105325.561 158926.8632 40841.20317 25914.69038 26149.77135 25786.21377 27436.33025 51030.24789 73842.67877 791464.1312 538077.2168 58099.94077 65883.09176 399614.9652 104543.2358 831489.279
Hexanal 2238240.187 1719465.587 2038489.951 1954186.285 1909022.026 2813740.856 1931960.893 1797199.344 1812490.83 1740559.524 1901302.948 2027888.146 2134323.816 1922445.149 1850174.122 1779794.676 1729699.851 1858195.435 2085988.776 1665461.232 2398917.977 2284458.414 2303935.721 3584473.441 1983536.37 2184850.214 1881937.075 2063529.196 1877449.879 1901704.791 2202475.615 1633225.012 2213627.246 1925220.475 1979970.921 1858695.652 1453284.949 1665128.623 1890235.11 1978616.357 2302961.359 1815476.489 2261832.745 1777449.556 1821978.192 1949068.954 2018613.156 1398804.7 2092470.356 2111823.201 1935646.852 1602202.326 1455230.521 1387252.521 1604416.457 1840389.735 1690510.071 1702971.552 1367390.189 2867781.282 2208621.655 1847030.278 1793519.178 1613085.192 1908674.302 2040299.252 1672465.757 1757131.291 1489700.017 1507333.03 1956858.609 2224579.847 1155603.811 2453091.77 1971309.326 1463547.39 1664548.054 1745303.229 1515931.7 1433599.54 2000629.376 2661626.168 2495835.682 2486739.068 2409522.548 2080527.739 2096521.883 2340169.763 9166797.615 9381067.977 10062329.4 8752363.284 8845240.833 9030864.408 8424510.141 10171904.11
2-Pentyl-3-phenyl-2-oxiranecarboxylic acid 259054.3098 377052.4781 177384.6814 148243.8142 228816.2772 254875.9633 214120.011 241170.0475 234134.8817 223620.6769 283199.5333 408546.547 254152.3566 279120.6843 199074.7028 259197.8286 203022.1341 300564.5967 99175.08757 107260.7637 499827.0009 516341.6892 426555.2316 436373.521 367918.0488 438803.0611 259649.6251 264032.4533 264030.4455 339801.181 570889.9936 490092.2217 378261.1256 430683.1776 399865.0056 719896.1472 311992.3302 345013.8276 371466.1801 303152.5947 257346.275 246938.8013 250672.8503 264199.7273 226169.9244 181075.0486 216639.2484 206045.9517 215494.7015 207361.4988 191387.7545 364951.166 201856.9158 203895.961 225941.9173 236958.3111 175802.9244 229641.4235 14289896.08 452520.3571 440963.7944 584137.6044 361419.3204 310801.1476 314898.6298 391704.9009 326717.7481 352096.8408 335818.5333 356176.719 542919.1348 442328.7356 479879.4074 483446.0047 366172.1275 376688.5851 313415.9683 324891.6331 317744.7564 275195.6569 595875.764 451192.7328 373673.4693 267401.4272 258316.3029 267889.6163 297844.0047 646600.7555 373254.3233 334953.1139 246639.3203 240675.1402 256002.4469 239142.9026 270409.9519 469028.3104
2-Propionyl-1,4,5,6-tetrahydropyridine 4193779.294 4122794.374 6584636.352 6358483.486 4283948.373 4223676.711 3636794.216 3191107.744 7337416.99 5838292.083 7602693.917 4831692.125 3936618.735 3985971.271 10554615 9530003.635 7023759.274 7269893.358 10094246.53 9466689.604 2049705.38 1605579.392 1899155.172 1792985.452 1969930.172 2049137.074 1814756.112 1768216.708 1849436.574 1624604.851 2042898.431 1853115.136 2019724.261 1988297.756 2088127.283 1872822.107 1538379.956 1900645.6 1655917.913 1681798.079 5498925.618 5767458.897 4209220.371 3916805.708 3069747.326 3104280.789 4015344.512 3919947.703 4626632.282 4549342.156 7278944.955 5828753.571 3783776.133 3599250.855 4850447.585 4556341.952 4326388.327 3757720.541 9463598.276 8014399.174 2021762.8 1881103.946 1855225.374 1388371.74 1847604.386 1990198.36 1954881.926 1777091.056 1757413.326 1617493.859 2129421.16 1881991.265 1942804.78 1798826.924 1966286.212 1834109.073 1824641.558 1896005.212 1650711.465 1525507.627 963166.2509 2031720.259 1799150.507 1837852.642 1623627.028 1520070.045 1421485.173 2217134.559 8711015.783 8257820.535 8154361.267 7970543.384 7621741.518 7284132.53 6780427.267 9929115.162
4-[(2-Isopropyl-5-methylcyclohexyl)oxy]-4-oxobutanoic acid 3343909.424 3284573.847 2424514.315 2440028.748 3714128.187 3738136.876 670981.491 511375.1122 3465944.471 2686267.246 1877422.98 1053826.217 4060246.806 4243811.092 3209110.207 3000980.081 488525.3033 391980.3748 752722.0493 608034.4339 9986216.314 8584903.89 1025784.915 1043789.895 6660598.699 6605172.492 2226813.272 2232467.572 1539010.922 1249887.672 1965879.64 1764792.147 479782.6569 496632.3875 402956.8308 206701.5729 1328805.189 1733870.365 1486022.632 1573550.067 6693963.083 6592055.393 2978866.097 2629473.482 444060.9971 403548.961 2943005.724 2519857.853 1133201.437 1063002.164 890149.921 737500.3536 2371996.206 2236852.986 342904.7439 220248.2836 1549955.776 1337998.247 3721331.806 1638602.066 2126260.245 1771503.872 2602321.864 1865348.801 270381.2525 268846.462 2068784.372 1887475.294 2507267.113 1905940.21 1680677.674 1284642.441 365551.4719 383679.9332 691093.3585 721603.4667 922681.4878 896936.2384 803925.1025 656409.9822 270884.4298 118219.5528 277387.9331 83445.44098 245027.56 88462.5074 263181.802 140674.0824 1973293.628 1887217.005 1895605.816 1504818.767 1389207.945 1372288.926 1389470.407 2587073.228
9-Oxononanoic acid 3646606.472 3336649.463 3582012.343 3548350.429 5066504 4902723.361 3268101.55 2936505.89 3132398.522 3035250.52 9713553.398 6206864.112 5266012.32 6608519.548 7162730.694 5657290.291 4175012.261 3773667.359 3644702.303 3175649.006 1207873.601 820078.3839 2968241.66 2733083.079 1441959.111 1126405.067 2040046.552 2178453.523 3116472.108 2170737.638 1432273.374 1369875.703 1708812.583 1684046.509 689143.9349 664772.1007 7669398.019 8408878.848 1252065.385 1144496.843 6368741.884 5972123.122 6175326.56 6075484.16 3765988.779 3617841.962 3831482.591 3744595.161 4121501.879 4896071.582 4216257.647 2989983.49 4711271.377 4223505.049 7312558.237 7534429.299 4565085.413 3316583.165 10570169.26 8951207.629 925951.2204 790957.1478 6573559.315 5004368.703 868504.8761 767210.848 1365573.203 1061851.983 2584902.908 1811537.943 2406255.326 1906595.581 3758909.554 3370897.674 1455166.265 1485170.439 2358292.926 2109359.343 4639660.392 4353664.789 244052.8041 375255.5368 447053.6842 412409.8879 372347.9523 318813.1034 352439.7283 745918.675 2492918.431 2601036.467 2382344.239 2288749.666 2127967.775 1923231.326 2053316.824 3057564.751
N-[(2S)-2-Hydroxypropanoyl]-L-leucine 100135.0752 135763.3132 223366.77 180390.1945 6917895.678 7126452.065 221999.3643 222821.6064 101316.0889 237397.7995 475366.7317 331758.9737 9144740.526 9747732.731 4118081.007 3712691.741 209748.5311 224916.2438 273759.3432 248774.4026 313292.5183 203004.1268 143383.5227 151089.7409 395736.6036 410730.2962 3877495.282 3555366.98 213111.5163 207906.2294 220186.247 139497.6908 310058.6722 261342.8618 247869.971 242742.3029 3507769.755 4597311.693 188850.6772 212604.6652 337441.453 309180.4976 4304250.888 4452865.702 295926.7044 198396.9029 265587.8635 244524.3901 221631.9311 223873.7318 228681.9164 241318.4247 3423277.902 3369307.391 143313.5042 129823.7137 257443.0692 236574.7118 767799.4308 457140.8799 358093.0014 423821.6299 10111169.41 7419853.96 179677.4614 190965.1268 141669.7334 91221.26916 662670.8855 609816.0953 2804895.591 2097653.194 344701.3031 161142.4513 415070.3236 138200.0385 1863512.343 1991463.091 3496580.192 3747678.538 71384.95588 167749.0152 168773.7286 138754.8774 137974.4316 157487.2855 149682.2073 301006.6174 1252776.723 1143320.606 1255026.028 1120419.5 1043529.386 909646.7395 951293.379 1544732.407
2-Butyl-6-methoxyphenol 1903939.69 4097259.158 2205148.691 4376460.865 3603495.231 2190749.337 2118526.111 2555636.576 2121287.348 1966368.192 3451253.891 3141463.627 1766769.707 2945448.865 2709699.673 5963115.149 1896044.331 4114990.459 2126428.965 5294902.451 1885691.003 3830299.442 945814.5609 9728362.303 2262425.383 5303418.192 2408770.369 2598176.521 2542154.759 4225248.391 2362208.508 2998958.36 2923293.729 4478461.059 1590773.072 4534050.755 4712945.441 2760642.831 2728037.104 3527397.772 4302933.663 6621359.084 2569738.857 7580425.688 3082128.198 5620585.323 2878271.945 3689104.701 4104874.552 6795927.707 2082251.76 4776486.529 2530053.451 4274316.727 2891565.039 5652004.367 2843165.048 4099685.976 7048233.249 5858354.331 2201515.826 6528147.528 1951466.025 2930136.16 2485159.197 5452496.507 3499886.803 7207954.988 3327583.2 5181864.03 2284152.489 3180582.679 4173944.239 5144557.815 2346262.51 2866374.383 2275751.744 5524879.539 5493851.922 6601793.952 1299833.911 2140985.83 1879404.359 1945410.997 1920388.559 1947893.236 1869019.673 2308539.749 3468232.376 3926844.381 2326133.93 2549941.032 2310190.32 2254919.524 2177834.788 4943578.812
Ethyl N-[(2-isopropyl-5-methylcyclohexyl)carbonyl]glycinate 207375.5554 248990.7521 1579233.196 1597484.738 823526.5614 860359.1491 137694.9559 141417.0288 217537.0217 173784.548 2678596.316 1549616.638 4155916.156 4144746.487 408824.7981 361249.0737 242574.7889 247026.9318 2350001.089 2374018.082 599132.35 483483.82 397870.4089 391159.6534 499833.1589 502763.4822 439653.4686 455485.2498 1939544.092 1605943.909 370044.6794 316176.7369 1142967.175 1137176.735 1462262.607 1385032.068 1921497.204 2433497.879 2935699.765 3025394.845 710069.7083 697114.9594 440878.6191 588428.847 116680.616 140157.584 216513.154 203799.9377 740692.5551 768810.9943 3108667.611 2664447.206 2294316.495 2137294.593 176953.3998 144622.7227 1544416.451 1316076.689 396979.8725 391608.1877 1993576.065 1925971.632 392612.9322 283863.7454 106831.7223 95505.58364 2908083.869 2756553.955 272231.4363 216836.7363 354549.2793 332780.184 9000412.406 8216553.74 1383803.968 1348680.434 1471940.68 1412596.091 3198544.107 2456729.793 43928.6241 35245.44645 42926.21748 45553.20742 47444.33802 41561.11565 42911.91637 85546.45243 1407694.558 1417364.282 1199606.304 1299115.862 1046731.991 1016581.212 944396.8899 1931688.072
3721 2743055.576 2329332.539 2246568.144 3206268.027 7687372.031 8936510.066 3222299.564 2472595.188 2401748.377 1711747.211 1742001.158 834934.9909 9575505.188 10688854.04 4980075.858 3415118.636 2966822.993 3364748.521 3765418.554 3157388.125 2524355.177 2659946.835 4294354.625 4246697.955 3225925.988 3116842.882 5750984.16 6724528.346 3378886.232 2879141.65 3337380.45 2943386.138 3713681.937 2543562.157 3551068.647 2791281.024 3667267.764 5990665.15 3232220.111 3192176.845 178434.0071 1019302.399 6345645.543 6453080.492 2001656.67 2416652.99 2588891.924 2737381.341 3338914.702 2182904.949 2804317.299 2686070.297 6638344.967 5736933.517 3042251.008 2440971.825 2419257.504 2872979.303 2402250.941 2748062.526 2314741.413 2466552.418 9488336.383 8140725.22 3122551.388 2938140.595 2791950.509 2855492.716 3695154.743 2283422.78 6034551.773 5234266.457 5572358.936 2522028.461 3471974.401 3105997.124 3638862.127 4927172.916 6286755.32 4645014.193 1029455.61 2643819.819 2208665.979 3002914.528 4147386.228 2186033.156 2679967.411 3477656.644 5534268.76 5366928.587 5083279.587 4086075.632 5622695.995 3945910.84 6369967.099 5041563.965
N-Methylcaprolactam 5722719.209 4311369.724 7482663.084 5277216.621 4149028.675 5659587.853 7192104.755 5907665.923 7506870.201 6688737.636 7861783.649 3481848.17 5032300.791 5409659.792 9116887.908 5801772.508 6369493.266 8591946.745 9777829.559 8050790.738 1794686.323 1356453.947 1787802.873 1788486.847 1940778.591 2129456.823 1813425.379 1227784.921 2270411.604 1900890.442 1325596.413 2085351.628 1454234.626 1804158.49 1678330.827 1730117.351 1837351.622 2142824.612 2010176.505 2054673.44 6533053.757 6026974.061 5078817.802 6890149.243 4614392.839 5355099.357 6181627.523 6065906.524 5416492.233 6779541.929 7236024.946 5952785.088 6420333.295 6147269.951 5529723.524 3041717.731 8508538.169 6646010.728 11513466.3 11820529.76 1741410.196 2294051.35 1451958.301 185452.1648 1882914.586 1931260.626 1698220.283 1762361.647 1984988.858 1627603.387 1256587.111 1843337.971 1131009.392 1448504.868 2032455.556 1704487.774 2064767.61 1964846.078 1823621.934 1828684.878 630135.4718 1347943.119 1559994.598 1043880.052 1086815.959 918474.7365 1244338.993 1823902.71 5944516.544 5803120.049 6639635.484 5309611.195 5520164.243 5573040.037 4921238.644 7162470.844
4-Hydroxynonenal 6352109.841 6357764.007 6690841.846 6719019.321 6528640.864 5382008.533 6674094.222 5822422.075 6081620.104 4927126.754 9444653.729 5442400.2 7240541.717 6659954.68 7573600.281 6707390.124 6588737.995 6130088.738 7462346.748 5905955.286 1140211.158 954374.7942 1037888.44 1187256.185 986689.0839 1095778.663 726512.993 747548.9303 970082.3488 793067.0446 1190779.982 1111225.054 1041243.639 1075552.638 907765.6742 863153.0332 750626.5044 840937.7455 829766.1284 914562.6734 7154760.217 6461157.899 6571391.679 7021794.046 6176137.486 6426898.817 6528580.892 6218557.189 6045644.557 6055304.188 7705310.132 6516881.025 6124911.715 5871662.382 5546778.665 4743172.271 5940775.404 5242347.831 8429274.396 9152061.729 1101505.629 1220345.678 764374.9524 564617.9251 1170971.104 1001081.828 1063000.745 925795.8932 841716.8341 761420.3248 1147442.468 896657.6324 1294410.517 1087825.666 1053957.216 944676.1039 995272.432 862256.6654 871010.2243 665543.2155 449112.8942 916409.7813 771533.732 710806.3548 711476.7084 637870.7265 587114.5242 1104399.64 3719093.665 3320064.064 3119195.047 3254465.031 2732464.907 2687340.837 2721644.339 4419096.173
lysophosphatidylethanolamine (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 1598265.641 1499945.268 857028.1313 700280.2622 1175158.784 1047739.091 1983396.596 1478232.583 1058475.784 761455.0468 1906574.521 1266386.972 1901941.314 1595139.827 1856290.997 1300195.062 2012968.24 1930868.388 1422232.461 1493652.797 1714719.498 1299729.625 2924114.69 2132475.297 1817975.133 1064270.115 795206.8869 680009.1136 816536.0643 612207.2321 1084362.807 910216.1816 2698960.529 2398802.944 1681788.438 1513785.11 963947.9855 1275850.822 1141497.939 1141393.052 2280576.25 1635073.722 1456794.438 1717948.61 2363337.681 2445064.999 1230822.188 1108681.642 971237.2057 807897.0541 1912647.092 1674255.14 1132263.429 1289593.476 2152901.261 1560279.952 2062271.858 1784295.822 15015724.37 4428145.644 6862318.381 5655583.935 2210989.274 1630452.969 2481279.52 2275270.915 983283.695 785228.7555 2896641.21 2879078.633 2067468.692 1610390.392 3487056.068 2533681.849 1943800.979 1995165.008 2411705.303 2337514.584 2374522.2 1995425.85 58202.70567 81596.92197 40513.93941 47422.01788 58422.00903 48755.68253 61932.48674 268042.4824 2156594.53 1988892.391 1512236.176 1385023.026 1451576.169 1266679.445 1045471.326 3489090.504
Ricinoleic Acid 185766.6963 214702.405 341608.7134 347883.9355 6528086.971 7224399.942 120952.3906 238606.4441 143157.6862 240692.7975 368906.7022 198797.1327 8538751.606 8329510.146 1684073.617 1677076.633 256015.3846 290184.1624 193317.0946 171840.4934 258559.6978 321722.7737 114804.1506 289672.2585 154891.4143 188227.0364 5432661.96 5504341.666 194051.3661 311684.5944 367391.2017 375641.3968 228393.554 157763.4508 265908.0819 356652.1505 2456368.576 3375002.598 121615.708 127655.1027 295599.5021 344617.1115 6915794.511 7089335.01 210210.0847 139589.2716 159762.7985 234983.157 187213.1852 118573.0605 201300.3082 283776.5967 5182622.788 4686400.403 224819.2531 302220.158 195305.8234 327909.9934 2281561.979 675084.774 191462.3838 259382.4167 7163906.413 5819903.665 168013.4893 146047.7633 264990.7934 235920.3457 315294.9921 320547.2323 4721506.866 4327045.581 182171.5203 277387.1234 261732.8956 273597.5858 238142.0941 291836.3684 1571431.082 1342468.505 173359.7417 167383.101 65282.09755 102784.7851 175152.9188 105877.4588 94076.84578 285606.8387 1527227.468 1427211.944 976136.8891 999321.6675 1043321.58 972503.3605 1026269.378 2021174.73
Mitraphylline 3586999.079 3436603.018 4248020.956 4170927.605 3969508.025 4017281.114 4540233.135 3830619.842 4435869.819 3733320.402 5869609.348 3597523.331 5271665.587 4384302.523 4908253.067 4072449.476 4223701.14 4268033.638 3791940.553 3822965.779 591130.681 394266.6386 677826.2534 671524.6201 350936.4125 452107.5398 381161.3107 321513.3928 384882.4033 295245.9209 469715.3463 436078.0189 595633.7595 534270.747 548505.4015 456537.1261 293592.7118 416336.025 341851.2071 461211.6516 4828692.377 4231787.749 5178157.791 3869032.983 4681681.04 4014907.882 5087230.199 4245079.891 3824877.872 3395722.034 4348939.923 3638212.61 4138703.175 3954907.703 3721215.136 3207745.545 4371315.618 3700625.656 12678395.88 9951451.764 982744.307 802602.7088 426157.6535 303215.0565 479006.8788 529651.4463 392971.7616 418507.9784 323633.1428 305986.301 537239.7204 545405.852 783836.682 580531.0538 461492.2234 424782.5715 505020.4165 504327.37 417879.2698 442654.8059 150971.4033 205693.4607 110313.425 104386.0306 209874.8883 102613.2462 130779.4748 279134.6317 3066744.965 2604739.208 2295709.29 1654255.687 1823657.24 1747541.649 1693519.065 4433539.053
3-Indoleacetonitrile 6136847.314 6177351.691 6044533.527 5594726.545 5264519.549 5681339.301 7686263.578 6509413.052 6178338.441 5547074.448 5402691.276 4190847.092 5005028.806 5468919.206 5998802.438 5796770.826 7396555.057 6986669.945 7577213.674 7564362.892 4369570.034 4897584.639 5341185.915 5490937.426 4448541.418 4256504.582 6399756.854 6498065.872 6557276.75 6098135.664 5191286.675 4436736.691 6067461.671 5926859.455 5521161.157 5500477.116 4983934.902 5595559.497 6954977.891 6648928.549 6011683.132 5658544.659 5793985.696 6352023.917 6444471.304 7072653.348 6739074.924 6555727.849 6049359.893 6144467.359 7874260.49 7050298.607 6037928.078 5843479.039 7185094.454 6476825.429 7388085.566 6919810.427 3377975.423 4369096.605 5386217.555 5954127.565 6246606.448 4778910.916 7034011.142 8045462.743 5944381.061 4703474.711 6371708.677 5970827.891 5186467.016 5203504.658 5128400.883 5739361.84 6477208.822 6057547.027 9643662.848 9513186.835 6766032.132 6491285.846 201139.2575 48662.52079 37663.78141 35233.36705 32022.72848 30206.41222 28650.88295 40663.46604 4404448.651 5512624.815 5027823.603 6235122.766 5932411.568 5564830.52 5667621.338 4451186.769
3,4-Didehydroretinoic acid 81234.47795 78331.92205 76748.37148 79483.03995 98404.49138 80214.94348 67641.99987 68930.5076 111950.702 83470.72452 354618.3199 196763.0138 91161.5093 131406.1466 92005.8376 77310.89473 137787.892 128145.0127 89852.35813 86509.85795 59222.2687 50096.65769 115588.8655 86806.04571 59023.71989 54533.82147 109039.2866 123837.3821 72670.58336 79029.79453 154193.7253 168942.3321 75449.6245 69707.13268 9053962.659 7854808.902 70604.3526 74367.43081 217265.9248 223253.5443 107296.6315 157913.5493 106488.755 118550.2616 70279.69359 135555.8047 76875.74853 100208.6129 137355.078 119182.6872 80346.57763 68103.99887 86735.42049 73266.04475 89989.77496 79775.10917 231266.1356 272246.0641 412162.5881 630957.5755 391744.0311 404665.9679 84973.86041 93291.5924 80514.37399 113806.0011 70817.59483 72954.82396 74346.9766 72852.04072 145513.2593 133402.3093 279276.6412 200714.5292 98128.24155 83085.57885 378825.2638 364737.6231 81329.45543 96674.68763 72481.60448 49782.27518 58566.14736 64695.95393 76379.31285 61750.04902 72976.55997 141665.6434 493623.9158 421317.9551 305863.2996 228320.9466 302609.4409 297857.8795 220470.7011 698624.8543
NP-006862 150626.4109 200219.8164 113219.0963 81268.13958 81173.49456 72504.53672 88663.60651 66055.35168 60409.11868 53295.25252 191052.7375 131876.563 73502.76762 80204.16439 146465.2792 134743.7258 70604.50564 77196.9072 163231.5769 170625.4266 150253.6474 164025.7684 68838.28537 73692.46555 107729.4241 180737.51 125204.0697 167392.0977 97856.97505 97795.62508 121381.9915 156885.0735 72535.47323 82236.90686 9632819.957 8670596.891 139912.2086 124868.0076 77919.50394 167614.9729 190148.76 174223.7345 287268.8161 220515.1444 98975.0524 94255.34625 169543.5389 251147.3199 388476.0957 375780.8641 146587.395 194197.3989 166512.7211 102780.992 185163.3504 165746.1005 152777.4418 122853.5631 930443.0517 622020.1891 601809.5046 472661.0313 253885.0198 165170.7112 112646.0669 196103.2025 329903.4497 361239.3643 65481.19885 47674.49303 295043.0046 449722.7076 100317.5115 106681.311 141653.6609 170370.9145 457614.6995 544583.2769 126068.6639 46102.80323 54106.04821 35706.87889 50082.85107 58216.96714 43954.12541 41826.44362 33049.88254 66974.79154 552702.93 450408.9821 373349.7788 450205.8091 440876.7576 323653.5944 270326.4805 680851.9091
2-Hydroxy-4,5',8a'-trimethyl-1'-oxo-4-vinyloctahydro-1'H-spiro[cyclopentane-1,2'-naphthalene]-5'-carboxylic acid 138804.1669 152705.9568 200402.718 163301.4926 255191.5964 181631.8256 251835.6075 59561.27309 48278.61585 42677.43309 158960.4136 325385.6613 271416.4798 55260.91407 161090.7429 267384.6623 253463.988 225150.0464 50824.54112 174930.3396 239659.7049 209985.8898 345769.2733 96767.08694 38279.93154 172789.363 143094.0239 168985.2352 41107.90496 39670.37793 242881.3498 70529.54428 236505.5521 36730.56804 9415076.666 8170671.41 108297.4595 115871.3322 44179.82937 187905.2382 37685.65326 289261.3387 40733.97298 295338.2097 50610.5143 85603.36474 172026.6294 178563.1552 176763.9261 144961.0773 233051.7249 175592.5456 47802.96613 92133.31796 226787.652 294232.8425 42544.93184 41947.94781 1025438.449 256000.5615 298591.1083 346410.5204 60076.3312 159964.1575 154275.5146 153437.8102 170609.4623 139301.4365 167567.4033 45528.9689 275653.2655 266379.346 103228.5886 353768.9368 73338.17649 65376.06215 260601.6258 41153.96252 115743.7531 137869.8752 47060.86593 90204.1179 99121.79309 66473.22505 62866.432 95312.77869 37024.79154 116829.12 622787.2821 551624.7649 501084.0149 486566.5935 345397.6233 431401.4949 574003.4155 663074.3884
5-(4-Methoxyphenyl)-2-methyl-1-penten-3-one 501249.6244 488657.3499 348471.9821 431188.8086 441252.0639 513149.8521 442465.4618 361323.4172 340528.3921 350730.4785 721553.5867 771804.4149 567879.689 745331.311 781846.8081 566143.0146 548449.4272 418814.5668 476226.5543 424837.0824 873755.3388 760713.71 577681.6155 579137.7994 712078.9749 701804.5412 406085.6516 370712.9732 431077.7617 401791.3469 1428533.141 811037.9123 505964.4732 580085.7967 419689.1476 417991.1675 439380.1032 340327.8577 414647.9131 442933.9206 653454.2627 632287.3263 429143.5558 602200.4904 387815.1709 495618.4314 310099.1848 425176.6222 375556.3827 488340.511 551319.2112 541292.2461 395205.9459 578897.4504 296482.3444 321744.9815 336124.3514 391378.1474 8004901.753 654271.8326 408286.0329 457321.2978 689359.7772 830433.5892 497198.7407 569473.0001 569439.5191 642465.2734 358870.2612 322260.3013 919713.5388 830775.867 789733.0156 761268.6502 512929.6973 493862.5139 374458.9963 502771.3052 367800.0029 343969.4397 1213429.697 1137738.861 805348.9954 523165.2097 391876.3531 356384.109 414399.4607 885250.286 767623.2114 597331.04 611835.8609 516420.2818 431500.2376 409843.2787 366677.7592 924876.7762
(2S)-2-Amino-8-oxodecanoic acid 159556.7813 161341.4316 257013.8135 218459.7731 9864832.99 8855723.161 104777.3582 51849.82053 64948.68638 92578.52131 216327.3109 94114.7508 4433135.177 5010841.412 2857286.932 2647130.445 94143.82446 85564.74149 47291.81843 84954.93635 1217457.308 939419.3969 714373.6574 643239.8917 107518.7734 66642.12637 4923776.813 4880323.34 284319.9307 258521.3357 405039.9727 250661.9263 356518.9332 261774.4234 69019.73716 42689.78999 1793295.791 2145853.046 122497.0068 135800.1911 64641.75649 104571.7078 5252044.809 4334108.079 71660.41505 37620.88227 92839.12716 88705.98336 79394.7709 82763.7269 82229.86093 89227.48381 3991832.772 3855991.918 51810.19005 70645.05264 81848.25081 110982.9203 586597.589 125234.8076 62726.79487 102654.9699 7624283.869 5772803.596 79777.8334 63563.12584 103480.0672 50775.15948 1265090.378 1063678.854 2147122.791 1864428.935 334098.7182 261858.8822 297518.5209 246897.0786 785406.192 845717.0954 4601508.735 4360860.527 103951.1107 35548.14961 67011.07771 69155.61207 70671.19186 87647.23241 83157.27531 93367.91978 1159464.595 1260127.393 1090113.386 923822.3719 870389.6402 809687.953 884333.1893 1617770.827
XT2570000 958830.3727 1037426.384 2165657.497 2014152.173 1237281.54 1418645.075 812938.8536 618660.2783 2395322.667 2103675.91 1854584.199 1134142.931 895670.7831 957005.5137 3458994.632 3054247.716 1902760.566 2152557.008 2808688.573 3010352.434 1439665.724 1326647.23 1755475.996 1665137.669 1430427.882 1363768.804 1580335.183 1702721.957 1981737.135 1303656.494 2599524.8 2291776.673 939482.9008 1006944.81 2410241.991 2161256.464 1153586.48 1305988.601 1367025.169 1396409.726 1805282.828 1837802.801 836307.4465 999053.2247 529942.1655 665958.1587 1163614.008 927452.5257 1388471.581 1438305.14 1777752.356 1459154.314 742521.4962 753720.2111 1355393.073 1239083.565 1176267.842 992872.2888 2806780.314 1655934.226 1922253.934 2122928.192 2184695.971 1525567.254 1850990.56 2032804.169 2855560.23 2086409.069 2239627.531 1894210.038 3789378.535 3511846.936 1531016.156 1274815.627 2200685.646 2092950.709 2711601.699 2549516.492 1604112.488 1301525.221 76674.14515 42668.71611 40770.1634 49384.31956 45088.03535 48995.25779 43660.38622 63486.45526 7300002.994 8627092.776 7618020.068 8912798.257 7198505.233 7415389.991 6964816.384 8739838.297
Aethusin 551842.556 517834.2065 519127.7095 564209.6396 664246.8483 596156.5304 487339.6417 519993.5811 445212.4196 467999.0073 569409.8606 679073.3147 657590.5027 643821.4996 535385.0287 698603.1058 430816.7812 390652.2232 409622.8898 448914.0894 660155.7759 697221.3769 615742.6058 644181.2185 635976.99 829375.8396 470283.2689 550196.2467 410879.2828 566945.842 518494.6614 632914.4343 584330.8058 609641.8048 442861.8741 447539.3953 596496.5527 508770.6408 552289.7507 547464.2077 558040.2931 718381.1251 606735.1853 592176.343 545491.9132 506951.1089 474562.7951 582323.9789 510738.3685 546254.864 460643.8864 499338.9845 525972.1684 556957.0436 434355.1697 384076.8911 394829.5017 469850.3334 10154587.98 736170.2703 584627.3082 574670.4745 672204.2392 743201.5261 469607.6433 433428.8379 498270.5156 541655.5924 386314.0604 424468.4077 622952.1247 593484.077 610620.207 666910.0688 430239.5002 477411.6566 485684.1931 512458.5041 754167.8373 469474.1294 904489.8117 1129983.05 1117697.595 920398.0366 857650.0242 840041.1602 862939.5514 1346159.313 912150.9562 740690.6289 1057841.949 765149.0401 701999.3737 661015.5641 655286.7511 1158187.684
UNII:596C064IG4 3531870.693 3783416.357 7729330.932 6636840.934 3419577.402 5299110.786 4900872.041 4605302.63 5928414.234 6046501.184 3003639.363 2470459.8 3703961.417 2932961.703 3895602.406 4832865.62 4517304.768 5132463.868 5773954.598 5761800.117 2540657.301 2048408.925 2211505.074 3027827.587 1182514.568 1433492.387 1531576.885 2137001.253 2350249.968 2038836.945 2330375.897 2600084.038 2425735.369 1831151.88 2064989.628 1645258.229 3698414.895 4292686.887 2261434.51 1876927.778 4233999.444 4096463.446 3425454.853 3543617.083 3219340.128 3368468.206 5980607.503 5233807.179 6047364.389 6205752.543 4461594.155 3935914.159 6321807.563 5636469.222 5290693.071 4766912.129 5634996.223 5848300.37 9442513.936 8793160.874 1060650.764 1213469.717 2073737.82 1426149.618 1295283.227 1776636.88 2237111.815 1775310.343 1259567.82 1452732.55 1680195.107 1200317.172 2614053.699 1462875.58 2037697.455 2328708.923 2353772.339 2195089.432 1729550.426 1282553.435 888431.5324 2713445.729 1671724.049 2108134.016 2250990.406 1362834.241 1087672.769 2199337.661 3350796.756 3548731.281 3724228.372 3586301.962 3183242.809 2702365.515 2378458.266 4615005.541
Tasimelteon 2925214.362 2910466.749 3286646.931 3205726.417 2484396.657 2452254.126 2315840.804 2045646.27 4732161.423 3941009.026 9052768.107 5283249.358 4878996.124 5096659.716 6868253.98 6113661.658 3543783.841 3556718.598 3800751.988 3646119.821 6452015.144 4984668.061 3280608.364 3361818.889 3524845.01 3821447.806 2156447.626 2022612.472 2475758.763 2015640.295 8409068.572 7601939.464 3895359.859 4022071.981 3177288.629 3030436.205 2205319.382 2712888.278 1906922.703 2010892.464 3834134.478 3722933.491 3338728.209 3343226.584 3437945.98 3326580.918 2267956.789 2186263.548 2666365.132 2685932.086 3795619.409 3028565.317 1890249.851 1757030.559 3307918.637 2852585.295 2500128.022 2359651.049 6652047.129 6598790.527 4009968.656 4299963.301 5389974.916 4077890.044 3393103.026 3280575.13 4597688.246 4247390.929 3346317.497 2811323.731 5437205.058 5656102.366 6082698.785 5849258.987 3358907.394 3277690.58 2874378.382 2851535.164 2800968.535 2543003.392 59314.43853 51305.68396 42453.15177 44745.02869 58039.96861 50063.0423 72039.63399 130863.7739 309194.5285 222699.8328 185112.63 139815.3916 136535.2609 142647.6327 130921.9779 386712.3847
(2-(Dimethoxymethyl)-1-heptenyl)benzene 600226.4503 682806.2643 324651.814 427492.9613 380099.1042 442087.9892 499069.3928 441555.2591 427140.8793 599196.5002 827376.0483 592421.927 404545.5 575193.4451 891629.259 484191.3419 569272.2967 562025.3664 586002.8379 578852.1048 469431.8589 375824.9885 447441.2659 422843.3287 414045.1033 433197.9894 681427.5646 556675.9997 506595.8836 454554.6502 975548.2857 711046.9083 517703.0144 484876.3771 589781.6289 556994.7312 221612.3075 447519.7053 273392.7933 307469.6945 756055.6707 618620.5588 580011.8657 830105.842 788363.2182 499507.8674 525685.9782 540820.2525 700155.1311 572233.1741 650526.0254 624993.5598 435090.7603 393953.9829 407773.9084 322668.3527 881488.6529 470210.4395 10852328.85 1070962.111 1145717.707 1208391.596 910594.8858 718201.2215 607947.246 711406.5231 462635.2381 433791.1784 641574.3458 666258.8843 920141.0713 857566.5767 837904.5973 675950.5143 312552.7305 397083.0619 853011.6007 920446.9718 729365.7402 687922.3342 493160.1404 237752.3919 230363.5125 531046.6521 294189.7984 247228.2513 271442.1466 529219.5518 825429.4612 679474.1841 430938.7224 482944.1986 442400.0239 345183.9486 519319.4904 1057897.642
3-Hydroxynonanoic acid 347046.6531 376466.9434 824178.8808 776920.944 984596.2043 950966.0474 581764.0901 473595.3289 293429.8173 206032.9679 1031121.079 613967.0682 1833918.358 1803974.637 2052273.44 1839141.563 537132.152 567768.7487 926774.3057 747295.531 643648.0085 565238.6533 1591670.482 1688007.431 148871.8796 173650.2751 893707.79 905446.4849 1114652.334 886061.9644 639795.6242 635478.8056 2800215.65 2791152.69 737970.3246 706128.6445 1124887.646 1343855.32 1013179.304 929539.1762 457649.742 464155.4275 935459.2919 998648.7704 366966.7924 386714.6457 276761.8625 222358.8256 410465.3696 422898.1266 1013657.032 874762.1918 1154936.361 1089555.209 360542.6923 313080.5911 629699.9056 582197.3741 1144194.708 580304.1 414961.6106 427260.9398 1295361.826 900895.3361 523618.5991 484560.5089 760874.1869 702657.0122 600377.3185 529256.3589 1097045.793 835973.9026 7748703.256 6969738.415 638974.9622 518602.8521 1515792.924 1455838.084 4479063.821 3745466.687 38930.71304 71738.37619 88687.37116 59457.33211 50727.7481 48954.47644 66860.16081 101724.1163 1370534.612 1059403.346 1013817.353 979605.8584 862821.1032 942994.7581 823870.6404 1709125.045
2-Hydroxybenzothiazole 4291891.378 4919967.437 4314310.324 4198866.043 4133601.634 4374131.151 4790519.035 4268637.262 3172353.747 2849532.756 9986372.734 6494623.671 5862918.38 6279310.533 5166110.835 5258497.287 4655561.08 4682729.228 2664418.918 2671252.277 6909725.185 6047187.863 6283210.338 6000605.58 6611671.064 6413274.922 4136964.57 4380197.832 4557897.524 4237444.186 6579836.179 5803570.284 6074944.921 6293631.325 3866049.851 3749563.831 3593966.609 4172752.534 4655212.584 4247316.143 6597498.276 6017676.392 5127772.297 5669122.294 4775945.006 4940908.447 4482413.229 4294681.886 5013180.774 5249956.917 4383966.645 4134068.019 4415803.958 4450999.951 8500027.235 1949710.263 4232949.701 3115755.872 4603045.132 5244472.935 6835302.625 6429484.403 6039122.032 4853575.905 6189389.879 5763879.907 6554230.212 5492408.11 4235270.888 3615287.674 6455745.855 5845272.609 6737015.966 6543607.344 5600167.664 5231433.155 5183053.19 4233901.477 4062846.978 3471797.828 1201582.235 2920660.975 1548128.277 859043.8057 929792.8967 1548366.035 946222.7527 1030572.074 1352120.527 1070962.73 811443.3018 1287002.259 848106.8958 752417.2546 807657.1977 1515988.187
(1E)-1-(4-Methoxyphenyl)-4-methyl-1,4-pentadien-3-one 779949.7475 809507.6795 815549.0233 819714.2423 1073275.2 1035573.822 771322.9626 744712.5744 787863.1154 694516.7611 1150622.222 898274.0822 1237345.278 1236624.628 1078058.583 1017781.545 742954.7195 678798.173 779952.3112 814093.5527 850544.0769 838096.0543 819476.1718 793793.6754 857226.9203 887588.4553 936681.2357 1018481.289 833849.1422 772018.0809 970441.7792 1059545.992 874360.6038 857736.4665 785653.906 786093.0544 1007388.726 1073820.632 747488.1918 888320.0934 1303395.757 1423940.81 1251112.63 1162514.066 723112.7686 827385.6726 675290.6981 748709.4102 807530.6162 777442.6573 810511.5162 839730.3814 1000143.501 905135.7531 837484.7518 801111.8658 876484.2318 785228.7498 9801600.644 1606520.425 787527.7171 813095.3686 1521627.437 1309022.506 759532.7984 703797.7872 706129.135 713178.707 700420.7 681828.4332 1498265.09 1267186.766 976533.6279 994663.0889 837017.0387 820124.9871 803676.2858 866062.4047 836077.3848 671553.9157 774424.2087 694758.5973 588940.8891 553622.9757 572673.4188 586964.7284 534353.4512 1093259.807 1039173.958 845393.2095 864452.4861 686977.0454 713997.3942 737232.4998 649398.3599 1243952.606
2-methyl-4-ethyl-5-propyloxazole 158828.1214 127717.7575 184428.0364 148196.628 8172788.066 8770082.957 38976.94413 26929.44781 148921.2391 113529.3311 91032.41948 65340.96691 6945129.417 8047008.45 4701153.991 4238628.397 42100.07437 25486.94425 97144.08577 70718.3638 364823.7629 288512.6794 153139.074 170461.5312 101890.8563 107647.5718 3749561.394 3784851.052 184828.4039 144180.0376 238151.2504 175916.9044 62560.93404 94157.10415 25232.45174 33833.24836 2989951.739 3781583.666 55729.42832 76791.84375 68984.52467 77522.34604 4136401.42 4303729.222 18348.62027 22548.21144 38263.30333 56240.80047 31659.37044 30709.94719 51101.07979 34509.77521 3860387.254 3719766.911 21119.82964 19786.83014 83358.58565 78513.8153 172700.1856 39366.81425 40202.12427 25359.11936 9057870.166 6709288.097 20777.80815 19538.79403 153997.5938 144587.9126 798036.0025 671697.7197 2377733.387 2027062.907 152729.3954 121433.5116 180214.1486 180741.5087 1940954.02 1838225.654 4707947.312 3927104.011 56424.77217 21801.92103 34780.54777 20084.44855 19769.6245 13644.29795 13657.68493 19953.2896 1375437.098 1286010.955 1364106.724 1301840.426 1152249.315 1100790.057 1021332.427 1666906.847
Taurochenodeoxycholic acid 106118.0747 2715811.25 132346.1651 140758.0697 120681.5485 114835.7283 8275432.156 86726.58613 178456.2327 144960.4286 5227028.472 3270986.839 3154074.499 2976159.056 2093650.863 1868246.331 8232478.662 8516352.779 187847.2914 222827.2277 2450414.919 1910191.963 7622105.437 7273805.853 2379103.209 2529959.765 117016.0719 98888.8005 114510.8072 108904.4548 2950168.262 2603522.823 8076542.838 7475375.529 132141.821 132951.3072 94475.27899 110594.4853 113872.4185 99705.81264 4957976.608 5004201.857 3032042.305 3082682.399 80284.50872 76047.11895 552232.733 455421.4185 2295365.127 118199.303 665805.2626 601972.8116 73073.11848 2319363.018 178130.2682 163930.0867 5765994.145 131482.1222 7391310.322 356635.9986 3117605.728 2945143.669 185932.444 162462.8458 3419710.981 3282414.563 1095577.565 130522.3073 119571.3656 136564.4208 2426574.663 1868198.528 2533095.819 2348649.176 127293.2502 303774.6137 2999536.33 3234623.206 138426.9966 134709.6198 38672.62563 22269.01731 23876.46673 32959.13164 46724.71154 37566.10854 45022.57991 114593.9051 3618835.33 2933413.349 2380955.498 2244478.194 1815266.269 96678.76953 1969527.132 5382518.246
(+)-podocarpic acid 87725.80354 46731.47433 38281.17789 27573.25062 26893.28715 28167.97815 19451.94766 30246.12778 16897.9215 17237.48617 123041.0189 80648.54579 187557.8585 186523.3587 315293.2843 394370.3008 103416.0003 87687.94418 66338.33427 64332.92672 126683.9171 90925.03644 114416.5749 270875.8452 295799.5614 510705.9209 26405.28315 24256.30931 18315.45062 18175.93103 113113.7626 99875.22544 482795.2448 703527.6396 23531496.69 22440590.23 30267.84173 32296.17794 16212.56827 25999.47757 217467.546 231384.0773 497585.8365 245761.1789 43086.99976 83166.40796 45065.15412 41659.62017 37618.10857 29592.86069 278632.8284 260173.7906 59657.40383 62032.31306 33538.57043 27908.60052 20354.27578 30047.94854 1458375.324 34645.24623 762946.1546 802506.625 213392.9153 218730.025 172141.0739 248062.0682 190894.4219 145618.773 25848.37684 24281.35367 82702.68702 61515.51106 123343.5171 144693.1893 68404.81171 89702.1723 599500.4596 607289.4717 36421.85296 19112.65883 33574.07473 46941.53791 619594.7469 60486.29297 30226.84648 16903.60668 18088.96653 18212.1285 81126.92844 81126.92844 5191499.033 201224.182 61440.38844 27413.6571 18223.92122 34897.41567
Phenol, 2-(3,7-dimethylocta-2,6-dienyl)- 372674.3328 398450.3025 334811.0615 353573.0313 370355.8585 346135.8213 295011.8708 415380.7331 284447.777 266043.4613 492259.1523 685811.6477 312437.2853 454761.7928 372008.2931 387545.129 277069.5415 464776.6742 244984.526 266442.427 601429.7142 608440.2006 392753.6404 447189.7986 391064.0643 426674.916 319486.2307 318851.6431 253006.8094 325990.2987 532223.8985 551118.4813 465838.9371 400929.5856 196064.9629 281169.8165 397958.8024 411503.5873 381098.0692 435830.3372 351348.5691 606289.8232 340949.8415 437205.4174 352555.1942 290033.5014 355142.2931 367427.7653 397095.1617 252697.987 362342.4831 308460.331 341717.8928 311707.1908 279909.2072 297921.9393 207434.2027 244909.1249 9036417.047 704495.2515 300807.1085 312557.5041 264994.5007 414617.9376 305822.1395 365015.3859 376227.3512 401419.7632 268261.5097 372961.2289 553285.4083 572402.2793 401298.8164 531247.3772 391231.7433 392230.0747 354961.6187 340871.9984 305465.5291 323413.7849 728839.3941 910257.0723 524328.9126 449080.1107 398266.3133 369285.7654 344113.8735 902530.0078 541916.9653 393900.8424 418198.3345 256303.9157 314718.502 380886.525 280197.7263 621709.4412
pro-asn 418408.0327 432385.2529 7356763.058 3226075.037 1957426.216 2195857.119 1216397.832 588124.5716 299447.1306 213747.7526 524839.5581 323004.2286 270609.4584 252242.9443 247571.6195 288469.2081 765253.0535 805744.2643 1053501.392 1175707.422 267934.9693 241468.7731 225884.2081 199066.3117 369762.6618 351303.1674 1860171.907 1501528.629 589785.0484 473695.4868 228201.7122 209758.4752 578981.9209 430742.8964 500914.9768 490402.8382 611474.1014 889137.0431 254639.7772 271193.0482 250685.2382 255023.7731 344808.3536 309851.4143 799682.2506 725029.187 2702301.768 4110371.077 2694554.526 4321322.836 515614.7997 385692.3903 11910561.6 148123348.1 569679.5154 384395.7326 430707.1909 376587.9417 578066.268 544151.5842 316527.4745 234796.9207 305008.6227 274404.6828 312056.0933 361663.5248 335066.7172 356508.0093 997989.8378 866863.7373 193378.9573 238084.6504 263153.144 231230.0667 904040.9492 950355.2984 18038797.96 19317894.55 686864.6537 641592.3462 78958.38206 25349.22609 29828.15864 52185.84039 143993.9996 151047.4985 50159.97934 60206.10643 94637.90688 148120.7344 206266.5179 344410.7452 1277008.826 882211.3047 283597.4607 283597.4607
N-lauroylglycine 349822.4097 361476.195 296896.4811 352677.211 5699891.62 5664570.08 327758.9507 245427.4048 234234.2817 194464.0019 402295.6255 256729.6429 8129828.946 7512812.475 1821587.807 1509165.099 150067.289 176101.3906 294057.3881 236907.3433 1010912.849 931720.4462 951250.2776 967713.2368 317821.506 348694.0513 3610641.999 3817120.524 311181.7116 270545.4859 439435.2206 327105.0273 1452331.476 1429163.422 378064.8354 314465.1113 2841314.576 3541070.466 201509.9692 271830.3847 189496.498 227902.648 4823566.649 5034563.785 129192.2587 251787.1087 250255.7402 309190.0573 268896.3867 226947.6157 273103.1202 198444.5833 3981005.734 4097922.714 421862.0771 380640.4532 293344.2323 274796.9801 4142346.341 689587.693 1607356.553 1614268.345 7493716.72 5353457.188 419512.0959 401442.53 306641.2473 289012.0001 889219.5958 827523.1622 3772450.649 3283733.781 3690137.625 3099270.837 637175.3518 603286.5415 1133621.691 1032374.892 2127255.935 1623244.644 103415.9215 54849.73215 63853.12881 66141.81863 66558.9538 98954.05604 130129.0521 219475.332 1727288.412 1621146.875 1395342.525 1640641.642 1130983.639 1132314.743 1079315.143 2341486.83
8-Amino-7-oxononanoic acid 1995379.393 1833746.626 1891434.098 1884271.156 4398931.876 4399499.005 2201414.131 1660535.323 2433053.09 1859858.101 4244957.06 3661074.379 5921433.056 6695026.448 7211149.523 4936438.637 2590974.18 2483701.821 3174738.498 2708075.341 2980871.328 2103596.119 3086002.156 3315868.375 1971985.176 2543327.924 3230359.044 3751070.211 1955561.191 2026106.88 3360009.779 2987273.917 2532651.969 2059104.073 2366933.662 1738993.89 3428940.329 3190806.009 1690425.116 1866120.192 4741503.177 4103803.179 6226519.978 4154618.952 3279487.908 2155549.477 2273980.93 2176696.649 2716300.632 2399497.534 2603918.726 2502604.352 3699542.421 3871834.393 2574287.54 2363094.299 2003053.112 2000700.578 4802409.598 4812855.143 2048147.594 2071427.53 6792075.486 5128217.205 2052002.924 1792448.859 2285020.156 2054397.072 2760297.337 2800359.84 4305556.791 3110114.009 3878058.647 4350236.587 2035555.932 1968712.063 2264764.029 2256218.063 4379531.953 4240688.746 1904174.133 2673346.969 2651112.535 2217181.084 2718680.866 2481102.355 2217244.869 3467274.343 6187035.316 7423340.467 4891430.163 2226372.022 5001166.174 4137356.911 4020853.995 8016849.22
Dihydrocapsaicin 47391.95591 68352.01382 73125.64991 115917.2193 4321547.515 4570889.349 60965.94505 51858.64262 59858.85727 59932.16904 64693.55084 60178.15426 6151920.151 5337344.712 1891337.854 1591642.359 55857.29148 55280.95857 68575.5038 62444.97776 84563.19329 83072.81319 55598.77054 163464.9921 44530.35284 39497.07927 2846945.941 2768633.462 111537.8782 54457.60239 114436.5951 130103.141 42905.22466 43204.57574 63256.6415 62226.23658 2949003.187 3868197.696 60342.17724 85657.66752 50552.93162 120453.5984 4958898.371 4651003.11 48258.78366 55744.74818 48122.00064 47790.0567 53307.03892 60665.14138 68193.51022 48254.85675 3918633.545 3384426.35 55640.66501 60358.16986 91717.686 80005.75169 484331.5162 124462.2273 55296.04946 96204.81864 7570854.314 5393620.829 49415.04395 46893.57646 54935.73694 57680.63947 351367.1168 260201.5358 5152075.507 4755222.329 67457.78384 37473.47741 45651.45422 46982.46108 205666.0514 227469.085 2135436.115 1638865.886 40928.44416 34237.81543 43334.31658 50682.48284 49070.40024 47629.45272 49068.29183 99266.42352 1427240.645 1265568.339 1065063.699 988193.6386 798966.8797 801794.214 852845.9948 2060191.993
NP-002855 3995807.195 3848563.276 6173489.228 5783507.02 3646176.62 4183458.618 4036425.455 3203145.628 6298635.082 4655139.325 193156.8996 3130043.959 3731456.893 5030972.097 7172507.13 6217166.617 5963942.46 5888545.531 6367556.073 5662704.392 1752123.06 200618.0805 1524964.932 1330392.774 1196580.771 1452306.539 1246655.525 1049354.194 1330270.479 978328.2982 1780352.893 1366141.803 1292184.057 1419597.412 1595707.721 1375848.95 607919.7645 853895.9775 1364523.189 1283421.296 6086171.179 4897954.745 4154412.427 3586979.235 4873906.994 4064345.839 5135653.007 5198077.438 4789167.953 4565921.641 5100334.432 4216576.896 4910061.95 3966466.007 3117354.523 2748693.755 4295240.152 3398959.56 4220935.249 8586559.385 1572621.393 1317674.007 1216128.894 754045.8862 1360304.691 1275328.039 1542166.35 1392012.387 1312881.189 958104.4692 1079646.324 1195109.961 1299363.471 1082738.661 1407421.753 1418433.412 1130206.801 1000546.772 914895.0169 779847.2588 197472.8044 631283.4579 625868.8035 611549.703 618332.2258 697907.6871 694793.9106 1583488.895 6147406.47 6008405.867 6354799.937 5426944.186 4820773.578 4947140.894 4178244.727 8877547.872
9,10-Dihydrokadsurenone 81944.12409 144813.9533 259775.1773 146855.5873 435198.3696 424117.0905 1619302.643 1226814.464 109785.2988 96034.24088 173930.8262 76400.25751 3579286.414 3079115.497 156742.1162 122876.5808 1692834.057 1868179.419 439248.3421 358114.8242 92305.85063 462316.7166 208787.6701 170754.1421 835544.5643 904615.9678 193114.9797 199556.6045 79405.06762 76211.38992 327725.943 227931.5188 847992.2796 775827.7431 348257.8008 250918.4182 168005.2285 228174.8214 103376.9043 102758.6561 86339.73772 74201.85729 703368.1278 392202.7354 1416069.117 1231316.097 295298.1622 239807.9094 125733.8202 257229.4143 89059.62905 91804.82791 1659860.652 1339849.122 3364950.496 2693863.396 690801.2285 515307.0937 2154889.965 2700475.862 74661.75189 80073.78059 422972.7098 260222.4215 87617.81214 77010.0479 7995826.79 6913104.032 97046.65039 83569.18439 290323.4113 218354.0578 1951232.419 1538029.617 489526.7509 429288.5736 383623.0331 593758.4735 424302.6831 722242.1036 80215.7967 58272.9019 54826.35682 62237.30793 68782.99598 63015.70541 69811.31851 143087.5149 964678.6124 901739.4729 650375.0535 339945.9769 712759.8833 466230.6779 565067.2497 1351914.376
NP-003459 1158971.347 1164013.965 1163621.614 1226393.929 1738661.564 1512886.777 1496002.672 1178342.216 1123075.791 1332787.214 6475341.082 4225703.96 2409469.288 1918870.024 4052233.15 3845254.317 1171339.902 1452034.069 1085686.662 1741613.447 1569475.968 1098570.329 5530960.617 6351480.247 1677989.828 1917361.593 1081049.436 1142284.113 988651.0721 1193298.331 1876990.57 1717327.197 2255993.605 1991408.803 1009480.144 815244.0869 2339318.02 2706707.715 1359300.305 1352664.112 6925888.453 5201455.707 1961444.468 1993507.693 1301087.319 1575908.467 1055165.066 963867.0981 2680500.296 2557414.018 1493411.904 1592331.464 1695961.527 1752486.957 2630690.213 2025272.709 1835124.75 1850835.211 4984754.192 2599831.361 1307352.18 1170222.719 3136197.999 2794040.942 1097823.652 1147061.036 1846250.429 1432142.203 1969647.835 1778223.158 1497736.6 1516099.34 5294934.938 4729236.332 1681615.074 1537620.568 4203373.968 5286413.267 8910827.491 6621205.569 1612520.809 765502.638 578804.4165 457609.9252 688245.6955 640191.3619 518681.0939 1011271.425 2290954.258 1764930.698 2348755.871 1993219.323 1846777.351 1545654.022 1601301.995 2817884.352
N-Tridecanoylglycine 549615.823 548742.6696 721097.6462 668626.319 5263248.445 5199521.072 789768.2034 734288.0972 425331.1651 386084.0497 1120911.171 732386.1283 7389887.61 7160433.608 1746473.622 1589069.276 379217.7156 424308.6376 677415.1381 684802.241 1773006.566 1428263.279 1324942.86 1260484.524 736789.4413 756286.7946 4010710.224 4136366.584 838058.3716 707988.0905 913638.3459 902258.3545 1858281.821 1834539.636 944276.8609 913463.77 2849884.115 3673986.678 568645.4707 595516.0863 565469.7643 616095.9826 4566260.554 5128507.94 432499.2451 447842.7069 533956.8852 532684.3366 575643.841 556000.3011 588694.5843 558264.1668 4865705.251 4728224.305 1074149.805 937855.7733 651268.4144 586641.1494 4558808.376 1613052.889 5701740.356 5630762.293 7565380.059 5541144.454 1453852.557 1498265.313 631617.4625 666191.3329 4282714.761 3508668.294 4170165.319 3511970.914 3421032.012 3065141.266 1253569.609 1239611.46 1359666.897 1348241.089 3033281.923 2368921.739 153805.8814 178701.9447 179763.9846 151488.7107 141739.6251 148425.0302 157823.81 398046.1131 3222421.77 2977666.87 2753679.485 2814539.364 2173641.332 2141169.505 2021801.192 4437890.535
Texanol 306090.8636 399727.0731 397789.3444 531446.621 452282.5595 347712.8081 325920.4951 390190.901 318353.1001 351515.928 790224.1953 703293.019 370216.8512 627868.962 786951.2953 601670.4197 492591.0723 383288.4221 517738.3453 516565.265 1085052.183 600927.0646 597633.3356 620531.514 536581.1235 523818.7186 336279.7397 323988.8388 389751.379 362331.4903 611619.7023 845907.4889 450267.4406 488853.2349 521044.8848 635482.9788 415484.6821 401171.2799 305253.9972 230010.1161 664960.9114 527307.7046 416348.8406 437212.1333 387080.3007 483551.8996 442607.3123 348517.7257 443589.332 294188.9776 646604.0948 595846.5618 243219.927 421809.6583 488264.8114 424443.0658 391433.378 369685.6114 8110055.493 890726.8859 682976.6715 826057.9162 517141.2799 815515.6886 592944.6001 596538.9735 490338.5927 565771.0726 398625.7928 401566.4826 876626.7545 971316.3167 719546.5933 571054.0717 527763.2923 501507.6208 537473.9217 421544.7604 415648.8032 443299.3671 626725.5021 637949.6228 446598.0271 836346.823 444319.9118 433603.5803 346040.2982 712129.088 799685.6467 869337.0249 676451.0126 697790.9274 512059.9914 615757.8749 500359.2915 1083249.852
Arnicolide A 317020.9823 314281.0158 272358.5941 248213.9836 381309.2241 339841.4112 254604.5991 317023.1677 258290.8484 427535.9055 585511.661 520219.3391 379295.1145 424806.5606 405533.4959 409263.3755 378907.4547 325103.0307 368004.9779 359991.601 489598.0569 514065.1521 439443.7925 412282.7578 394990.0836 432839.0559 331117.4228 336173.6656 306488.6287 342896.5058 549073.262 519375.466 399966.2253 410862.1643 346848.6527 383050.385 347144.7612 280033.555 320280.5985 386837.5239 401561.8817 346714.5905 308703.3603 363731.4082 286831.0952 341166.7821 290002.1882 381871.665 299145.68 304608.3291 473557.9399 363110.6096 359523.5771 325925.4039 251718.175 255909.9887 387752.1819 378927.9076 9644529.158 553386.5872 507076.2242 501001.1888 379799.8835 370020.6442 404777.7669 449283.4477 355827.8093 371517.601 346194.4629 344445.4867 448416.8561 544874.6821 397450.4934 449027.078 414390.9218 383473.1724 352262.6554 423909.1449 300718.3584 311383.81 713320.8338 563801.4297 434970.2417 479572.4002 433983.1134 415645.8053 400480.9635 883945.6264 528370.4142 484072.6156 384928.9661 445300.9852 324059.5421 360053.3484 397331.739 649597.4992
cystophorene 1851689.144 1785474.295 1959485.326 1802453.356 1794968.463 1823304.622 2152697.63 1932803.284 2059498.552 1576824.037 7944670.073 4607323.048 2184346.349 2237307.36 3791235.935 3284674.511 1720748.629 1783115.071 1945113.293 1959570.402 631736.7108 519989.9535 2544491.93 2490120.887 908851.5504 810982.9922 410229.2967 480153.4442 2641316.223 2483053.995 784248.1037 898651.0935 1288372.977 1266746.754 458852.1075 459985.3933 6024903.668 6832566.682 906578.5121 983496.8211 3826080.285 3491825.796 2660900.247 2721226.092 2156826.945 2554267.441 2327213.872 2241499.977 2926956.696 2884554.413 2156751.13 1704554.773 2315969.901 2288918.505 5862465.211 5200599.969 2601344.934 2189334.809 7985225.567 6664040.317 589144.559 583609.5776 3220394.825 2564601.862 564617.869 592086.1508 712838.9289 693012.784 1612866.933 1354069.067 662026.8095 524824.6628 3187793.758 2874658.324 1210085.098 1153234.248 1067254 1214031.441 3653763.583 3075962.869 208256.992 292340.9602 320911.5598 245036.0745 172124.8158 223909.6669 248305.1302 339596.1217 1299293.248 1589446.827 1335305.827 1358465.265 1245254.322 1183379.036 1089012.379 1710036.62
4-oxododecanedioic acid 767163.3364 783748.7801 2634049.266 2381938.47 6164168.695 6334176.328 193534.7281 141901.5151 627240.0239 445232.518 1488396.992 802556.1232 7534362.78 7105488.196 2511257.11 2305036.857 180741.5436 208450.501 1132523.562 1045240.533 2140781.88 1739006.844 190816.8425 191075.5749 2145760.559 2122915.873 2655841.124 2778975.915 1690041.287 1423651.573 434195.7474 404631.9315 210221.4785 152517.8612 669853.6138 580214.4006 3757379.904 4270580.513 886876.5313 928410.7689 1559217.45 1439559.089 4939033.964 4797403.907 144801.8895 261088.2651 426384.8673 333626.1693 1116467.197 867405.0208 1151419.8 1014846.314 4919450.284 4728811.478 150236.7377 95388.82155 767648.7234 633051.4518 1775890.936 454889.2317 450886.8874 482010.3107 3407514.883 2602066.925 83884.52709 220811.9569 3848727.716 3089273.197 630095.3247 500850.4277 2007062.662 1669857.817 335566.753 237162.8363 808391.9676 708531.472 1220986.545 1194021.126 2479385.845 2211014.251 56115.92313 218781.1881 181758.4987 166082.5565 149769.029 139741.5842 25203.97243 296674.4973 1739676.662 1940076.601 1630514.683 1541416.808 1397653.55 1356509.24 1296295.228 2370228.343
3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)-2-(4-methylpentanoyl)-2-cyclopenten-1-one 311796.89 344791.6342 231839.0132 246423.2874 320658.2875 317119.0988 186368.7429 202590.8038 257129.1788 267297.3432 72947.70021 417442.8491 126420.3521 183423.2935 260421.5337 229325.023 93196.49903 86659.84706 133879.3407 202760.6048 702210.2605 520458.3906 245664.995 249873.4703 383996.788 434675.2825 299264.7528 250829.4114 253600.9794 237167.4708 300278.7726 382157.447 214222.0468 281198.8574 93594.48801 100392.1289 164998.2002 72453.21396 100708.1323 102367.9343 331320.8675 343253.5275 416463.9408 348144.8437 193661.1628 206644.3292 310957.9606 330030.5565 272751.1874 305512.581 171438.7908 214171.3902 167089.2421 91647.77632 82076.29767 171434.7214 183035.8631 268201.2388 10766792.44 505998.4387 347463.9825 392173.4343 365910.8252 434387.8535 316392.8745 294763.5987 388942.6669 507156.702 215071.4077 315449.4291 536383.2077 572479.2352 246911.8897 294226.5307 136087.5519 148618.2665 254203.3828 227986.668 174331.6368 200783.0165 868939.1653 468826.351 464370.3229 439133.0254 387539.3634 392872.8401 426135.0956 919684.5305 358589.0646 263433.3584 199950.7237 150873.5413 152175.2526 262622.5282 215197.6199 428417.1675
(2Z)-4-Methyl-2-phenyl-2-pentenal 416843.6584 340728.258 334061.6921 440938.8658 390336.2901 390329.2419 253051.7559 286491.866 313434.2154 347708.5369 559390.4155 489509.6758 361520.4076 361967.4339 339193.1369 401875.3799 424653.8271 382402.4058 351014.7542 378486.3043 664668.2202 505717.54 375824.1224 411981.838 437247.4773 431569.4267 449912.1371 357671.5873 365160.164 380579.498 394249.9718 479779.8292 440579.2399 380495.9141 367256.7607 530341.0086 287107.9823 292250.6999 391797.5427 275624.6799 407428.4933 465568.2552 338481.7452 329946.3782 590637.2975 405363.2161 322226.3329 412662.7116 405033.6008 365877.8174 352168.9613 341565.0365 428671.7173 366300.949 264547.0095 288437.0827 277751.2975 275878.2039 7515357.147 551387.5272 401179.5819 511818.8108 336904.0025 427935.8001 344828.8275 492185.8973 357692.5487 409150.1013 264280.5454 352379.3011 623065.4786 479313.6519 471398.3599 481455.6089 271714.4168 338957.1812 375066.2694 424108.0966 472129.6215 211121.5543 554483.4554 464588.0238 469684.1814 537095.0052 519469.9955 345145.4864 412282.8612 580062.5706 527082.0192 466470.2019 334895.1553 379275.55 358694.1001 351079.7358 351604.4587 579218.0004
L-decyline 223678.414 236351.6139 381742.6828 366051.4166 7945522.708 7762466.218 235351.3488 173571.3439 121700.6877 76891.38304 208343.2948 119160.586 3910284.619 3980140.241 4046253.104 3443415.097 71404.44518 86303.41482 107956.229 86239.31147 1095256.309 907419.3432 449290.1913 470249.8978 111823.685 116885.9579 3006465.796 3319633.337 279203.3339 247056.8019 336776.332 303504.9514 781847.9797 711901.446 149220.3638 148281.0887 1021109.065 1392760.722 131096.0774 123491.3623 194125.7359 175791.1283 3229640.28 3175181.984 43794.35306 50513.48644 109071.1897 82148.40248 73480.20346 73557.6513 104824.4217 86548.06364 2959142.893 2658092.985 105224.3844 94756.91482 159956.1812 130165.5134 540492.309 373632.1034 551197.8061 575588.9185 5639448.89 4071158.748 155740.2054 155788.6669 98211.01179 95548.8505 1218807.684 1060791.964 1817858.606 1574583.968 2170789.397 1972073.289 375776.459 295225.5106 920837.4309 840592.4027 7504459.854 6186700.54 50580.63045 29533.27075 17122.11284 32320.77935 39818.5833 18248.12195 23051.59741 62856.45414 1240382.893 1219179.436 1169914.519 1173553.57 1035603.935 963262.4889 879699.1588 1578690.616
N-Acetyl-alpha-neuraminic acid 1212572.342 1180523.875 1188962.101 769149.9222 794332.4498 977235.2541 804251.679 996723.4068 562506.0845 418009.9397 5482651.119 3781355.493 1640943.666 1177273.758 1858647.566 1628512.447 1304789.512 1296776.146 1679568.668 1326093.676 952221.5471 746737.5314 1292097.622 1573094.79 1156609.544 1101050.55 744566.5299 820178.3852 1087381.235 959479.5995 1942127.989 1529270.412 1606145.389 1454971.815 1460527.154 1601999.568 1675427.81 1894449.327 904408.6458 749740.8685 1339597.16 1252192.772 1479825.018 1862728.682 1007336.276 1088480.624 1191455.869 1023504.13 1297067.957 647755.6863 1570811.488 1728004.652 829008.0632 753180.1454 972706.6315 928213.7991 1200474.924 1114723.043 2276284.077 3232561.538 2061841.85 1722586.483 1687485.771 1352795.164 2048966.809 1804667.975 1158428.047 864141.5246 1224707.958 898759.6031 1987653.894 1759966.588 2784806.924 2184675.245 1478816.358 1500588.249 4485327.018 4547015.345 1304367.925 990254.0973 73455.26982 26833.53921 29571.39316 18850.82792 34677.70373 34524.24322 23318.05199 45746.34685 200339.7129 187899.4582 1630847.411 176275.2876 149553.3491 1075766.755 1011772.334 2039728.79
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (9Z)-9-hexadecenoate 1747324.588 1587970.682 1587703.551 1324070.841 1414431.638 1436819.221 3978276.587 3017974.526 2673785.961 1928532.563 3058143.419 1405289.863 3017281.344 2280996.243 3506981.054 2490475.703 4620827.633 4184076.99 4606646.082 4216893.657 1843178.79 1300797.801 3237737.947 2234706.326 953360.1006 608381.355 4307180.83 4236557.791 2678275.749 2159257.027 3918537.929 3973940.219 2827933.181 2628015.759 6897913.991 7155441.283 739214.3914 1248781.245 1527351.823 1424216.549 3398702.41 2326051.146 2048435.724 2111662.625 2646754.185 3172146.345 3409697.244 3390814.077 2002208.178 1860734.403 6149162.327 4649610.947 1640820.514 1650665.65 1976732.748 1741742.254 3342494.976 2797168.13 7369238.005 6683568.764 4443153.641 3406264.039 2614367.499 1559686.489 3710169.513 3851406.69 2692521.46 2227662.087 2670140.882 2137589.842 5810545.812 3708708.236 6018832.35 3649908.555 2243722.893 2148822.413 2744123.765 2582527.409 2364111.664 1516641.795 36075.34048 34310.61435 35538.42304 40858.59195 54910.89485 50232.73305 57323.91847 123883.4105 3545616.487 3497225.272 3345935.261 2886005.365 2339495.197 2437384.792 2183114.792 5725590.635
Fenfuram 127213.2927 142232.7858 1801856.037 1605577.14 2005343.878 2223572.551 29160.11922 16829.48169 585316.7205 572634.1184 435103.5173 312717.4257 3356437.993 3484815.239 3483528.256 3529455.89 165370.837 164907.7191 1555454.829 1481659.616 167275.2278 185858.8833 40197.19374 227291.7443 6823834.325 7009539.405 430063.0415 419702.754 1648622.066 1661632.253 3111335.252 2692441.536 186268.5117 180907.546 765625.9903 637132.4742 5530619.604 6809554.066 116061.9477 63619.77263 248040.8591 48619.28419 5566576.745 5602490.964 54804.13329 134315.4392 1843428.067 1810277.691 202168.6048 15571.63328 2924978.358 2083787.088 4891414.002 4492173.761 462164.269 392583.2683 118084.0457 112673.0203 831516.3527 960525.681 5534850.782 5163706.782 501965.1222 300256.0964 422553.9287 466270.0718 84611.23169 77539.9226 258644.0424 105942.0586 146160.6163 159501.3174 757621.4113 719533.8798 17869.05186 182602.0461 4891317.537 5420121.907 155030.3186 373144.0059 160479.1886 179832.0568 130214.4129 123822.9923 13960.54748 83562.04779 81393.5655 112921.5839 1439494.997 1281388.282 1193801.566 1423295.965 1347155.345 979942.2418 1158128.038 1546673.447
1,3-di-o-Tolylguanidine 23086.68181 22913.70661 23092.87393 23734.57295 24226.18892 24070.93514 22495.52805 22751.31685 25608.92615 25153.41073 7125828.755 4222819.836 28599.88846 26606.23069 28643.36416 28174.83928 25969.4487 25204.69727 25840.98442 25610.69696 28340.70547 27051.60461 28732.04689 23893.18914 25128.81983 23832.84075 22524.62498 22938.27872 22453.29886 21563.15472 28001.05662 30842.7036 23771.7883 22138.58176 23564.4045 23973.25422 23609.2028 27462.57233 21619.55811 21308.40434 68012.0891 52565.41043 24420.8745 23070.28897 29513.65656 23236.53237 37064.37602 21202.3226 22259.93295 23076.36811 27496.45428 27519.18574 23140.32275 21960.55932 26850.2055 26357.56514 25035.10816 23550.47954 243852.8238 52742.05058 28804.17087 28784.2301 25822.63117 40776.26217 22833.38797 22208.86692 23039.79695 22793.43231 23447.6711 22578.22327 29853.97504 42702.31048 35064.03599 29196.55507 24531.18176 22783.37499 24285.80351 30002.29565 25885.02422 22291.63843 60174.24066 20729.17356 18507.08616 18604.6651 18396.40481 18029.1069 18096.87717 30214.15596 102112.2097 86676.6392 83748.623 61665.4103 69369.05401 43730.34548 73771.0688 129135.5376
Indole-3-lactic acid 2160761.922 2275480.731 2299171.77 2244626.303 1813118.294 1748354.529 2972215.474 2545285.136 2224215.349 1818224.255 2890693.018 1779379.217 2516623.119 3097174.588 3617000.868 3192302.001 3418105.227 3621300.91 3716657.84 3464146.344 2867208.406 2338303.123 4152079.464 3996221.258 1848322.589 1799049.524 2813972.666 2772419.444 2042120.769 1680968.802 3032172.683 2665157.889 3882569.543 4144904.215 4183710.955 4066621.412 1091413.66 1398491.114 2452207.136 2478082.499 2747057.214 2608714.265 3131072.45 3111265.793 3508206.522 3413234.952 2882032.515 2628237.943 3012680.708 3029886.222 3988026.453 3473686.481 2298998.633 2254344.382 2748208.374 2328693.615 2973835.474 2381495.066 5004981.939 6619310.781 5924242.043 5773417.861 3313215.639 2612918.871 7041304.881 6390151.85 3146600.672 2730893.076 2800577.152 2600607.579 4651643.949 4063582.377 7115849.537 6258428.263 2919987.21 2890766.345 4586462.286 4285385.15 2531684.83 2129482.644 51289.6152 16958.62642 15465.99707 15088.9246 15151.09243 14893.17095 15012.70887 23007.79919 3134442.1 3197953.499 2989970.209 2676944.684 2534189.342 2548641.483 2237445.184 4056028.837
D-Sphingosine 1162596.264 1265685.948 454590.1436 261727.2674 826565.7094 947611.8823 1023129.797 758900.0129 634018.5545 631192.0152 3379031.606 1437342.013 3942631.8 2017502.881 5413015.36 2227367.524 1412028.243 1851250.927 2881410.602 2540080.477 1575679.155 1117592.62 5008271.225 3763939.418 2968815.521 2315737.245 1258594.749 706164.2522 1580070.339 1743637.919 2640248.218 2692368.719 4767191.994 2747292.578 1783817.812 1924988.669 4395096.361 3147107.104 1685091.131 1211505.128 2653111.848 878789.7169 1616543.628 1215344.922 811219.6466 468890.9844 283470.6692 372767.324 252968.8826 212855.3855 6846553.961 5273107.575 684035.1752 732597.5659 742568.9415 741776.8145 1296439.325 576175.1347 5358201.263 3929597.972 4580314.205 3123620.649 1044672.957 1018450.278 2554675.077 2344312.371 1602480.211 1898912.62 4183869.377 3668334.445 5730255.69 3453994.371 6672218.513 4515233.497 2624077.687 1822339.235 2870946.374 3126014.951 567040.3925 443851.5045 42310.60217 34842.22471 36765.95398 38190.5962 45438.03336 39115.57431 43231.97909 78016.44165 3074388.5 2090564.772 1560493.105 1805896.961 1348451.228 1492149.147 1585293.399 3821809.737
NP-000124 851659.5904 818427.8707 425424.5984 202589.3549 4196749.054 4259778.695 165587.381 191441.5163 787884.7291 707633.0795 2179040.894 614867.0236 3764530.229 3665156.48 7529160.234 5541422.448 244758.4435 210315.9753 284188.0214 304197.7574 3083336.633 2650039.732 284437.149 251895.3996 1817197.327 2092789.22 1966758.5 1958367.339 261191.3792 226278.6125 4221824.547 4508542.112 139597.9464 99696.07736 186218.4997 170826.6734 1226167.199 1497083.994 444259.3756 464840.5303 1782357.551 1607106.749 2561203.797 2638032.355 118731.0551 180912.3706 710093.7272 432406.4893 227241.0387 249050.4026 488544.8522 493435.1259 2016747.272 1721208.963 282879.4376 190719.8374 430119.9994 480994.8083 1315144.919 1255239.1 321327.7249 266198.3323 4749851.666 3324747.615 68011.769 185394.1522 470937.2908 261413.5117 543599.8828 530569.2462 4136119.499 3589438.59 174038.2998 202299.2551 304649.0533 317468.9123 703009.4894 559339.9123 1894320.908 1575919.978 293616.5679 28294.73674 208236.7982 40239.94759 137752.2577 51547.3241 138585.0236 225436.783 1478290.966 1681016.506 1260057.159 1026125.533 1097724.544 979893.0219 1061665.638 2001631.803
3-Methylbutanoic acid 2897254.138 3048060.244 3747981.797 3583043.484 2819753.105 2858226.913 3034270.182 2393707.566 4531569.259 3910604.841 4557315.055 2807343.231 2997869.427 3000436.227 5307450.413 4701114.854 4047725.338 4152359.955 5519575.166 5432871.501 2319231.014 1957523.721 2176838.248 2194926.585 2614119.18 2365565.136 2039323.428 2057192.862 2261784.156 1807581.318 2331390.275 2132710.844 2289448.209 2217784.008 2231990.77 2140123.015 1724535.707 2318469.36 1934523.461 1933507.788 3288057.226 3411636.156 2732111.189 3044468.408 2476982.795 2954333.71 3173070.662 2722708.429 3139990.85 3468499.501 4264404.882 3484887.185 3076318.331 2936099.823 3060157.945 2695602.72 3432733.714 2940399.982 4671135.208 5363516.006 2375930.356 2311437.733 2089908.842 1575963.224 2232380.933 2149658.555 2432144.158 2189743.377 2175115.081 1831268.809 2341890.521 2386439.994 2313722.714 2017847.378 2246307.977 2268216.225 2238656.285 2245318.597 2042605.937 1617183.352 1115210.129 2451181.52 2317097.408 2271494.857 2077344.395 1859639.953 1954356.877 2796245.148 6419616.811 6346899.468 6148509.668 6555821.138 5639434.77 5458328.647 5137127.066 7639727.926
PEG n13 157245.9059 161455.8153 259499.5864 310212.2111 466358.812 392851.4616 214429.9623 176210.4497 98190.21793 124739.3217 729147.2806 495768.664 220916.2891 161396.8814 208392.9254 238478.132 84276.19208 93863.41832 81047.26676 74019.75614 273169.8877 183581.5114 193887.5164 253593.648 160460.5525 196065.5134 253227.0697 293801.9713 94681.32839 63429.93736 147795.1673 125809.4131 167010.0896 150102.8293 879172.1725 646615.5429 140725.0784 153418.5958 142880.0053 158307.8335 119582.0168 113783.8131 255194.906 173660.4395 136680.36 78371.53123 145292.3069 255042.1159 93066.03536 91040.88232 351852.5186 286421.154 141050.7075 138257.7852 181579.4411 214709.3576 100367.3538 83937.55201 3529802.249 1473521.738 1169085.651 975822.6807 361566.4271 267607.2971 75826.13202 81559.67167 128492.8344 116733.6057 54690.50846 56648.7974 313288.9458 212390.7678 157007.4151 125324.1127 150811.9996 137832.8052 283803.1364 241571.7393 331622.6015 342169.0378 54180.1517 57871.40113 51963.25499 34052.30813 37949.41011 28133.82461 28212.16965 107350.6016 6332698.667 5754655.478 4470547.585 2243862.737 3912779.959 3542452.426 3737887.931 8047284.933
5-Hydroxy-4-methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one 496580.1563 462384.1166 437276.9292 471560.8107 356168.826 360348.9223 486496.2009 424878.404 393445.2057 451741.2998 1182306.33 503572.3291 443064.6829 542653.1126 563664.0707 626694.8568 394638.7063 438603.0768 517092.9844 464671.2619 470928.9274 430396.7456 334178.7754 336150.25 423360.4956 422657.8096 315364.3165 279099.3819 350588.5429 346152.8254 452930.7581 407029.32 417312.4894 483470.2655 375824.7799 459214.23 282976.145 297239.1958 365198.5668 357296.422 702074.7208 504670.1831 566536.9243 483234.9062 457411.3753 558011.9921 441931.2301 536175.735 689829.3058 413346.6707 568219.0549 437488.5737 342487.1832 418481.5058 422519.6747 418501.1884 372093.3153 415330.401 8035136.124 902827.098 499166.2615 493576.3792 355918.3912 325633.1867 354926.3002 368819.4922 375142.8875 369991.1852 357323.9254 336821.709 393755.8567 475759.3047 368596.4721 472955.1878 602983.8081 333262.4539 314751.1064 550513.9027 280541.7771 298863.0243 583325.9324 497991.4342 413282.5458 371936.6185 304693.2156 362405.5854 405694.8614 787265.864 521628.8199 511650.961 492760.3154 359525.0046 424585.7082 320318.9224 369867.6559 695659.1839
(2Z)-2-Benzylidene-3-hydroxyheptanoic acid 358348.2715 240671.2016 245204.6041 354087.104 326826.0016 306675.5917 381759.3303 308854.2416 345857.9677 244059.7226 454383.659 647618.3061 529480.9465 479208.752 645209.439 461618.6215 510472.0402 225644.4005 443911.7722 451995.9529 724322.5492 516074.7409 505187.1169 539708.8703 483392.8875 381421.5621 302444.294 332502.8558 381652.1201 427868.198 691476.9046 411172.8774 427842.6621 395205.5918 418844.6902 401702.3309 232378.9082 326089.6382 405233.0995 382513.3616 489505.2171 432840.2818 533719.2943 616693.0375 352778.0448 464621.0774 487281.2225 298542.3603 426394.5158 215390.6036 384016.6727 419574.8562 293333.3616 310632.2841 430906.8743 341557.8402 489454.0418 438659.6063 7543852.523 1131583.257 534695.5084 660953.9412 449419.7423 482855.6688 479288.261 523189.7995 318912.8109 482564.0572 358239.9286 238791.4336 712144.6804 694724.1085 642439.649 783317.7118 383137.3481 468345.7844 405497.5272 400636.9425 319576.9091 355020.8979 807688.1156 525176.9867 366867.6364 258358.7051 234129.8082 280709.3968 255336.2558 521165.9967 657641.8049 627590.2705 351284.8812 461674.4571 466724.7398 350911.6098 356063.6821 843210.529
1-Piperideine 2701992.303 2539270.061 1852357.455 2312818.096 2078184.912 2431934.284 2736960.824 1631639.355 2488883.286 1806371.495 3227622.947 2407550.351 2790644.737 4921369.608 4025746.103 2430169.795 4232223.104 3831103.536 3763743.881 3013075.618 2172343.214 2397130.465 3737848.517 3224754.603 3014351.794 3005699.851 1986893.668 1391911.875 2226068.713 1230762.856 4076888.052 4252999.676 4131498.313 3358669.406 4633107.388 2734488.334 1845280.758 3131877.402 3171485.779 2772836.172 2468168.521 2225563.566 4359068.219 5415791.864 2721077.596 2035774.97 2792116.871 2319070.815 2081821.195 1756864.094 5633427.647 3789160.661 2605581.035 2283027.525 2536082.213 1741786.036 3075180.833 1856212.11 6512111.668 3476613.229 5376941.628 5069414.836 3385715.475 2560236.634 4321462.465 3897779.462 2377433.131 1845917.786 3375383.181 1709819.468 4015352.233 4873291.948 4613801.879 3007396.846 3403652.756 3400869.324 5465386.623 4828705.236 2996591.748 1994146.887 270765.8653 1772812.167 2246555.587 2226707.798 1753764.318 1723289.736 27877.93131 2584498.398 3224152.874 3314577.678 3523261.029 3633695.908 3471284.089 2631924.204 2766961.607 3944921.397
(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0Âa,Âaâ°.0â´,âa]hexadec-10-ene-5-carboxylic acid 211692.9639 103531.8886 119071.4458 71279.07473 86548.24592 75639.61149 430834.0396 311824.2253 249564.2264 210133.081 629563.251 440292.0095 86219.32796 115667.6309 267391.5607 217937.9458 356146.9842 546624.3009 429971.168 445045.1357 1713080.614 1300785.356 175808.0742 177095.2625 54218.56561 42840.9812 296613.642 307259.8358 79149.02869 73754.6359 468031.9944 308026.0093 213468.249 197081.3399 4614710.678 4479130.285 84979.66854 131395.7653 1509482.878 1603334.818 1941130.269 1708112.121 1067761.882 1006048.65 253239.0923 245969.4196 63708.41282 56607.4695 335957.8695 261209.2164 152031.4605 158545.7864 889317.2442 764121.9934 287931.3388 262147.9057 1785126.049 1587999.772 1831789.713 2091866.991 5583635.526 5572958.541 2955533.89 2281349.096 572026.7369 523882.3593 172995.8855 165859.9601 5793351.795 5243296.625 628603.8623 566204.2039 1324640.863 1255052.214 7114161.738 7019544.975 4970383.764 4480861.567 2248298.043 1678099.677 42571.52603 37532.19504 39045.81207 42970.25876 51933.70648 46470.0517 51132.31644 100212.4337 1468721.253 1161584.079 952152.5417 888683.6666 832954.8972 835290.803 795323.2329 1933106.414
ostruthin 44974.66894 45362.40759 46365.68375 47257.50984 51100.02276 58132.93284 52834.43731 37894.83301 51100.36665 51817.62105 52211.82101 49593.33838 57058.57265 57826.66303 71325.39251 69672.76089 70475.29947 78546.80933 73008.59108 71881.09605 48975.45572 41214.28696 37874.49446 36434.84431 43703.31748 36630.95185 41298.22456 42715.13285 42636.70708 39835.3053 53313.52096 72202.49691 35205.80351 38031.78911 6922388.822 6804352.222 40513.78509 86177.46285 43789.87118 42111.70475 137836.0736 139430.4532 133013.8734 146159.151 43550.44214 48593.12811 41319.51276 43387.58179 43840.56717 46105.05146 71374.27299 66118.92679 76471.35425 60237.2648 56545.28487 53465.76616 153854.0527 105749.7593 301098.5235 136937.957 391021.0597 366553.5006 55169.9571 46280.60001 49858.5004 48336.7158 52417.87617 46502.76147 68711.57361 46187.05373 58456.51654 64324.29276 58794.26172 55975.8518 46330.89285 50051.84291 302171.0327 287908.189 48968.44355 41595.17502 36290.52058 24490.64195 29443.88012 30263.29224 34569.64735 28526.61418 31510.79324 67390.47685 301353.6744 338806.9908 288941.6045 248429.129 229177.6741 191029.2085 203347.1558 464211.5416
N-Aceyl-L-tyrosine 2582473.717 2995266.747 2784586.491 2903305.469 3097207.462 3340232.115 3687268.006 2568877.595 3456319.61 3002734.205 6066178.832 3811634.394 4597300.013 3266249.259 5313385.989 4182152.225 4312885.317 4282647.302 4095835.677 3631415.682 4276759.683 3125377.969 4614215.478 4165159.279 4034016.08 3270084.917 3849221.014 3968180.622 3760501.954 2877038.094 4091328.822 3515320.913 3622925.805 4383430.803 4579413.908 4363150.243 3089754.003 4041930.246 4007391.088 4394687.045 3240215.433 3286050.086 4519254.646 5135949.627 3250713.407 3244189.017 3686132.626 2767677.457 2151413.741 2813625.572 5325737.939 4416468.325 3750414.181 2723498.835 4255102.112 2602718.17 4007630.245 3391575.188 6524833.002 6809866.667 5503862.401 5542374.128 5345585.074 4189326.173 4508353.553 4103660.414 2880676.469 3152110.123 3840060.981 3120588.49 5695441.992 5291506.832 4537679.874 3706037.16 3781519.272 3805553.182 6293939.526 5228565.514 4351623.839 3040930.625 121282.2327 34143.57624 30459.17104 29547.75762 31083.41412 31508.63605 31366.17885 57762.80669 4139836.417 3986081.725 5991421.225 3334254.313 3264625.429 3196373.203 3026048.061 6220305.784
(4E)-2-Amino-3-oxo-4-nonenoic acid 2165807.92 2036650.196 1558603.602 1645981.093 1632196.081 1841055.735 68516.18923 62611.18267 54094.81109 50767.29665 2495378.39 92144.74341 3492205.08 3098202.006 2596991.552 2641289.045 2254265.645 2635114.588 88623.29658 91337.59479 1094781.713 76150.0261 1777128.855 1618794.41 73091.16944 232399.8492 1202347.059 1210565.569 97307.25644 79740.76147 904526.3306 929629.1079 949466.8227 889777.2933 135103.9234 126652.6326 55816.3832 63058.86654 744572.2936 239063.8846 4802449.788 4946928.644 3684075.273 4021444.199 2897043.845 2909793.875 82372.78418 73946.93392 1680981.651 1512740.312 270167.8247 129046.165 1849087.503 1865757.27 2083756.945 1840272.845 67508.15664 347842.5726 3110499.262 3025455.028 2647662.627 229215.566 3014695.609 2483201.211 1611903.305 1539771.578 86830.43269 122981.6213 71191.11682 64391.5869 1735028.671 1722465.81 2028046.372 1959569.287 93272.3964 97236.51069 121393.485 117324.4345 891828.0317 988200.3854 97206.20645 49418.48029 22549.91801 22716.65939 19631.90267 19029.19221 18405.18413 59660.95579 5013253.745 5847989.366 4712255.27 4447079.476 4014455.323 4063850.687 3706674.452 6635924.877
2-(Diethylamino)ethanol 439253.3026 689764.3923 369108.2668 790681.0913 1114127.57 223093.5619 188458.4553 978960.632 714640.2199 436726.7825 794959.5 355901.5494 405105.535 736900.6965 2068036.497 663435.8609 942632.0884 1316427.114 122815.6212 576771.9492 719909.884 159045.0424 5242165.714 3409561.621 462418.8698 516820.3026 645957.8828 1360486.742 86322.27601 523066.0312 1565200.477 817446.7593 969796.5321 809902.079 492742.9887 219506.7357 492274.7085 3349440.676 1040610.713 197530.9968 1143621.646 1260274.167 1793349.355 1205273.203 993265.8938 997841.7682 94258.75767 727752.9251 98977.00125 261074.1352 171843.3665 894201.6911 495427.1564 273679.864 684007.9265 871063.6665 527365.6748 318548.8842 746730.0608 1730967.493 1201828.645 1070608.064 160712.0601 1388037.056 379400.7525 1262456.007 642370.9505 633606.0852 96161.45196 308076.4438 1267084.826 609087.8268 1484367.954 1675082.389 702253.7887 125596.9991 445385.1253 1304165.98 420697.9414 279576.6923 87288.37728 28200.06094 21451.3425 20375.69461 21385.49361 20383.17331 32727.6324 48065.98878 5594530.072 6816650.728 6267658.429 6026069.476 4795322.11 5823455.301 5100245.334 7120999.101
piperidinecarboxylic acid 1535193.091 641120.0904 1338150.587 3260218.127 6752657.194 5685506.579 1332119.255 1249407.134 2737986.887 2643627.252 346483.45 926327.5382 2335033.777 1349855.629 1276346.096 1150195.287 170920.0778 959894.147 921080.11 1934518.551 2149508.853 2354102.96 1810056.582 1621485.334 919614.1153 2272325.942 4561548.55 2588548.722 1261086.426 1383893.554 3092530.202 2074175.094 1468083.743 701157.6444 873662.8925 2192217.104 1669065.951 1429340.6 2740592.619 1191374.617 1658663.208 1512677.915 1564345.511 1788271.406 841268.435 1215637.417 1434498.266 678518.1153 1470309.771 2040865.688 1736882.039 186938.508 1039386.169 1364601.694 1654729.299 1792268.148 858064.2491 1954668.846 260229.6396 755477.1689 2878409.929 3096161.133 2799758.725 1371007.712 1631749.896 1446765.472 1912862.989 1188494.936 1053013.623 1677004.926 2770415.366 1763486.382 2211491.917 192344.905 1870510.325 1916757.473 969385.3136 518128.8623 1602433.418 1943065.683 945649.9 2425478.409 1147938.245 1788087.601 961547.1642 2409072.488 1295334.43 2059666.088 2523281.1 3525637.596 1121991.996 1394913.126 1087764.279 2253079.492 1870120.488 2458955.148
Benzaldehyde 3966008.261 2775769.336 3330542.625 3281005.292 3154211.409 3061417.091 4056921.763 3237467.574 3969178.699 2986990.959 6585300.813 3635455.598 4570520.219 4974337.776 5206348.402 4477759.845 7019518.776 5134937.018 5152536.084 4997432.292 4864306.849 4079612.468 4673156.512 4874490.716 4373749.808 3925900.773 4113384.353 4600794.797 3115889.34 3787784.188 4457907.321 4349948.327 5311875.751 5073850.755 5518461.762 5789908.07 3272948.846 4101075.506 4179553.268 4293585.456 4014431.647 4074148.916 5115078.222 4794508.699 3841771.155 4238182.412 4298056.384 4734276.537 3336878.344 3267585.568 6052784.591 5083754.104 4325641.7 3937336.371 5021450.429 4142831.166 4474643.091 3485666.921 4413072.238 4237928.932 6323626.676 6421583.969 6721723.313 4817295.007 4836088.725 5114844.378 4954694.035 3788785.535 5023638.848 3599727.761 5975513.659 5292007.712 5536557.399 4316958.42 4827216.642 4778103.279 6297126.214 6197917.658 5206171.731 4103106.611 253154.7396 130415.9683 39221.30973 36471.06807 33609.15303 31168.46571 103668.3727 46552.79427 4247321.832 3473473.959 3995753.121 3160681.555 3643683.729 4621921.376 3306579.744 3966891.397
Leu-pro 130461.9829 129804.1038 131977.8517 125183.196 125625.5258 121107.5165 161700.9632 108630.7056 112267.2979 103656.4003 118643.0836 87210.56903 169360.9553 121599.4871 141912.8344 133657.4801 140826.7177 147024.3056 124082.8721 128762.4152 87509.99247 77787.95581 106530.4267 118055.3242 80658.38337 106723.3065 146847.8684 156128.3142 126628.7729 117917.0167 118789.4307 127064.7425 124215.3158 123036.9948 165028.6056 155668.775 105311.7735 117390.9758 135323.1137 130419.9478 114899.4062 110413.2676 159957.1721 166339.0207 122585.6412 124712.2725 117318.7773 111047.151 5600109.119 5792069.335 148134.828 137794.6891 126054.9218 132408.3607 145777.4828 137086.1109 154392.9811 137400.8154 280130.1468 237503.9367 119776.4329 118398.0435 217351.4073 100549.075 138928.802 132491.9148 106372.9409 101510.2755 128374.8777 115420.4727 143598.2753 130543.4873 117463.6591 102163.5848 122163.6593 128191.1954 163234.9932 158816.2554 130909.1683 146804.9052 87882.4624 29719.91376 26267.32151 28813.45279 29288.55445 32130.60458 35615.77912 73954.13626 5569077.905 5826971.915 5650130.975 5189673.789 5808386.636 5710689.474 136449.7567 216240.7752
3,6-dibenzyl-1,2-dihydro-1,2,4,5-tetraazine 284399.7395 277939.1586 394190.6707 389626.9443 7089860.556 7232190.134 247977.6461 201856.6115 340538.712 283106.1412 802773.6266 482403.7686 2870244.782 2785688.825 2033261.482 2039062.859 398816.3368 447123.5394 521091.2633 468686.6506 52345.61567 179390.918 151293.797 127085.0242 122570.5969 111231.6341 3878118.947 3885505.767 113674.3879 131949.3426 187811.4106 174042.9547 105118.8058 120814.3848 106630.9938 38928.79238 941862.4239 1146627.391 114202.5686 111659.02 807475.669 835821.2921 2673034.343 2546576.367 421492.5649 388955.647 268483.6141 233877.4206 292101.7176 224627.226 527433.7881 405593.1119 4014530.083 3850677.18 224545.4657 211184.7943 215275.7737 208789.5827 918256.5188 653306.2575 155123.7183 136909.873 1116594.103 961667.5793 124867.5537 136236.4027 134655.9961 121149.6061 117642.8451 107333.0933 1978954.538 2033356.427 33309.23303 30306.34662 121042.3415 123182.156 110829.9287 35361.89861 506127.2769 414170.861 99627.43912 99073.19383 27561.37621 79934.33969 87559.60939 77299.41317 103777.0678 154424.4773 997384.0803 976504.0991 794227.19 745213.6899 725435.9023 655028.8391 686351.1806 1313164.921
2,4,6-Octatriyn-1-ol 4663659.327 3591555.107 4868816.24 3801943.975 3890932.366 4501592.003 5587341.428 3327607.155 5867672.143 4819937.068 6812508.525 4597104.831 4953635.722 4452846.821 5728984.828 3658168.119 3416739.782 3051186.319 4796836.325 5362374.484 1599254.379 1411248.856 1723662.925 1529283.514 1883706.438 1602594.117 1610097.456 1546004.316 1801441.405 1527481.46 2034934.206 1581500.811 1715276.907 1738367.423 1396064.51 1277452.782 1414071.256 1547973.952 1683432.172 2624453.567 5048753.792 4877793.161 4641411.748 4759003.445 4528894.377 4901458.877 5505265.981 4462690.711 5014531.974 4871311.315 5649031.136 4203775.827 3629081.895 3916529.541 3683196.36 3896169.282 3879439.995 3392030.032 6612139.599 6542699.087 1711941.55 1705502.9 1342675.674 1147032.184 1723024.397 1614950.583 1789824.168 1568529.927 1564941.441 1355277.446 1700323.806 1429409.261 1636498.62 1531372.256 1485607.405 1488905.008 1638093.389 1403330.012 1452968.902 1299554.166 1037998.432 1622643.285 1565589.179 1403552.218 1307981.255 1403083.499 1423488.285 1756825.762 4131007.876 3524063.485 3390508.287 3057804.696 3253363.819 3552115.269 3131801.876 4281944.453
3-Allylcyclohexene 2171468.158 2288550.064 2919278.867 2948056.786 1688496.462 1968921.41 1530690.748 1220025.117 3070312.823 2804725.603 5689968.917 3079594.166 1710402.314 1713642.948 3430565.317 3260346.019 2776833.096 2625638.615 3293524.264 3353845.15 372151.601 348606.1721 58312.30926 855787.7418 247830.2267 157839.6762 286744.0534 330611.3611 370577.4587 255811.815 745006.5838 722558.2521 742119.9139 842142.7635 149631.0137 121444.613 113681.052 161248.8964 320048.0599 376665.6227 2601602.105 2636796.458 1102346.82 1157075.623 1164068.653 1297944.969 2231680.447 1990753.722 2576574.632 2685199.6 3379951.891 2758160.251 1120987.761 1356300.105 2108261.462 1877300.708 2198457.227 1885176.559 4608247.561 3177538.762 988534.1145 87793.47284 315916.433 282698.9661 377610.987 380286.6583 544713.9692 506156.7895 364566.6894 348595.7354 832902.0354 678244.4647 287661.6297 169721.0327 469382.9135 452427.3571 331612.7939 335156.7501 329057.4571 227717.7538 111299.8466 116193.4248 82977.43513 498191.1657 499309.6991 24563.81086 54996.65929 463607.8747 1640714.54 1569656.111 1430212.629 1466841.821 1301734.532 1325156.669 1280511.946 1690802.491
Levalbuterol 506176.19 542967.7163 500519.6806 507512.214 600500.2845 592715.8138 508312.2214 475063.7209 510166.4889 459688.7655 833837.6621 676288.8097 879019.4289 817024.1917 818776.3243 741202.3454 529265.6442 529808.6627 519402.3306 527198.828 659764.8495 705713.8246 611887.8834 553505.7079 566113.6072 501112.5375 557701.7247 573945.2558 503088.9695 414495.2116 889311.2546 757693.3185 606414.2685 641310.5843 508579.3925 571285.5573 571107.4089 552877.3422 514568.7157 504177.9523 899082.8582 1033881.895 843309.5232 807924.7402 492268.2901 581860.6007 474182.6147 416257.7872 511509.7837 495968.9406 596798.3724 573160.2386 548075.405 536700.2136 495863.8825 448760.0611 534622.0918 484364.9739 7197371.457 1110702.272 619324.6648 575041.932 1000461.176 903754.1284 563230.6652 567430.9726 541459.8654 486107.9394 459017.6569 418234.4694 1063385.813 936598.6869 745897.8962 731149.6905 567584.714 560883.878 488298.6793 528058.7213 493490.0505 402073.3685 546353.6449 485388.1502 421873.497 407092.8724 352450.9051 355454.3569 328516.7112 749764.0184 703558.5635 632943.7569 587207.884 504047.1723 456256.472 408612.6594 395699.1071 951006.3121
carglumic acid 2054430.511 2102709.746 2392474.827 2318554.128 2012308.898 2051811.581 2105845.383 1836159.96 2444778.903 2208252.546 4305969.109 2788006.464 1752812.947 2149523.065 4044893.64 3988582.817 2778060.942 2760927.405 3184603.19 2642082.392 2300970.932 1788434.858 4060783.342 4803283.191 2511273.595 2457232.224 1623148.024 1600704.253 2300978.052 1773689.073 2661959.459 2787336.837 3178710.514 3674621.943 1902829.35 1767358.209 3329432.494 4114825.65 2658384.723 2443878.883 4232813.767 4154609.859 2322122.873 2141156.47 2609121.932 2600920.009 2470114.463 2593708.611 3308986.002 3359197.262 2721677.127 2728096.139 2892977.125 2516810.863 3078666.503 2757611.351 3283639.394 2873056.427 3145937.745 5111015.962 2180830.636 2133955.99 3247705.835 2516082.77 2368171.269 2191726.607 3021208.775 2790770.212 4045765.645 3296416.795 3252375.825 3065364.575 4228628.183 3926445.587 2603258.008 2712396.14 2375687.743 2298845.418 5387374.788 4878508.279 497209.275 1026229.415 932524.5579 1160585.862 917450.0778 1099120.505 1005320.598 2390572.451 5551577.316 5791889.233 5869664.556 6208677.696 4830156.909 4658441.233 4206793.052 7637475.457
Bz-Arg-OEt 1747055.025 1772581.416 316744.479 244565.5979 4229490.461 2498598.088 194994.5522 160547.1912 912810.574 808649.1928 1351224.072 589267.2376 1011493.235 932435.7642 2183440.623 1725399.306 233883.8157 238586.3279 295032.0577 235440.5667 6092617.228 5395891.938 244352.2643 246326.7107 3540940.697 4409681.438 541986.9979 477765.0589 266317.4907 234147.0683 1289887.371 952953.1078 207638.5749 232433.677 191742.7341 199539.869 782560.717 1007862.294 568475.0942 580011.3506 3923984.975 3815814.88 1646387.419 1765362.439 225104.8811 249340.4753 373234.9953 241391.5198 180134.484 181436.8825 310734.5677 279223.5539 623194.269 561343.4514 200936.6983 153637.7779 474619.6802 535833.824 405935.5514 375794.1478 625141.4262 564051.2695 509818.0442 308549.637 276462.3422 311311.2577 367908.7641 318219.4543 1431987.796 1402293.496 1892306.032 1259016.818 302128.3781 269729.0253 271805.2176 256154.3193 352187.9332 348692.7573 357249.4537 295638.7036 71713.44529 19627.92584 17425.05449 17276.98135 17311.53501 17560.26661 17640.47843 29859.27147 847616.902 849882.0568 1069372.665 622057.9432 745536.7286 511777.7494 495240.8233 1358147.434
CMPF 96312.18611 115076.893 305110.0066 63774.88995 341645.8485 345543.9439 73634.95024 114542.1204 86901.94954 72161.32011 7074808.091 4124479.663 196783.192 231622.034 1187306.696 951322.9534 83332.04739 91795.54565 67320.65217 65328.27422 202557.7492 197538.7655 2909694.32 2800801.907 415789.3461 401890.536 101280.6144 129603.1331 1813447.213 1563438.344 360572.4416 418598.3652 795633.4981 818038.8073 72527.20245 260362.1958 4605519.43 5888172.903 235071.1571 231461.7697 1416167.497 1295654.671 420104.4897 532134.9966 321199.6649 352334.5519 413097.418 391434.5184 825003.8327 759433.3755 219574.4915 112219.778 189917.3474 217913.1516 3772644.304 3229512.326 556980.1828 476538.337 2900336.753 3699358.599 176027.522 161726.7703 4025351.647 2949193.084 182925.3085 197497.6637 309672.7427 319473.7699 833103.3629 773367.3103 249869.1065 245268.1547 3790245.709 3575206.773 640349.0201 610530.6729 599268.5512 652635.4255 2350076.948 1890859.789 54430.37452 104527.2368 104593.7969 68130.1748 45278.51962 57642.83593 36704.69985 134607.4739 320672.1129 373468.3205 312845.358 299768.722 291900.3651 271238.3689 255045.0668 413596.4596
(E)-2-Butenyl-4-methyl-threonine 53296.90809 63479.65071 87083.28412 86286.01607 5153209.731 4851413.875 49722.01723 52693.59385 70438.76264 49103.4945 104598.2992 53238.79585 3771553.363 3950650.25 1537791.305 1493297.441 56850.15967 54770.71572 97699.24143 111826.1848 513072.313 411676.7013 422959.418 339612.7675 48386.43919 43556.77048 2475563.318 2682499.369 92816.17861 90294.29437 126463.796 120685.3497 646056.0016 645076.1849 44797.14499 48626.64892 1315179.796 1926342.381 52508.08573 80108.57024 70762.16274 62476.31798 3974577.055 3433226.064 131522.8589 94043.95991 115905.1482 55693.40971 53141.51553 123573.2813 68442.55506 58119.44198 2537458.009 2230389.253 117657.5237 63652.58263 81672.65645 55221.06859 1585538.675 570816.452 72409.56132 61316.09157 5873115.351 4376838.793 107910.2265 61299.31433 93857.00091 53900.09493 355158.0819 315547.9906 2016387.087 1587101.335 1516250.146 1293388.327 140692.578 99818.28183 623995.6561 683823.1038 2438208.689 2260243.126 110348.5807 31360.37798 32091.72704 27592.31242 72999.48962 76384.02117 73625.63259 154783.7859 777115.1998 868802.165 871918.1793 569574.7021 552060.3276 492383.1778 509791.9265 1303627.782
2-[(Carboxymethyl)amino]-7-octenoic acid 315872.6591 240310.7585 392697.9093 422494.9885 5835745.543 6252235.675 120415.3868 109206.7651 130003.4241 71134.45807 307080.1243 230180.232 1920634.212 1845668.625 410020.8926 4923042.924 116435.9155 121801.1834 125267.2422 146843.599 64164.31793 1527043.253 61991.17095 1302150.222 33840.213 70151.47402 3874534.42 3862116.812 405020.9902 353945.6657 170955.1277 62317.90025 84581.74161 28173.55487 82362.65891 104229.3202 1623527.142 2109396.532 87728.3351 112393.7615 370980.7903 588810.3404 634871.9598 821650.4636 124944.7876 109720.3999 153141.3866 88332.5833 113031.9539 140502.6601 143426.2374 171187.2055 2522777.793 2159218.342 91776.84411 139324.1691 200540.505 106644.947 406729.4091 145049.8394 144391.9672 220178.6354 2511937.061 1986922.32 86409.71307 124512.4202 141253.0428 126469.3592 1292140.751 1158106.31 907696.9708 837064.4426 140558.217 97686.99561 765544.9599 737165.0172 1513508.708 1518892.268 4881539.366 4490453.738 192595.9484 114867.2916 77153.16049 48892.86678 31338.45978 56056.62341 18943.78387 52942.58143 604730.9343 280730.4935 394685.4064 838677.7878 662894.6897 516884.3402 387008.4259 626968.8479
5-Butyloxazole 3580517.475 3702860.837 4661902.532 4709095.802 3624099.832 3843736.765 3610802.934 3075074.38 5063160.221 4082863.639 5194123.923 3162969.52 3670884.497 3979899.069 5950218.897 5613334.501 4521456.176 4511074.011 5687265.038 5500136.388 731729.613 693702.5174 723367.0738 730794.7447 779393.7444 880993.8187 678834.7973 695525.8676 733980.9683 652925.89 802794.5951 750282.0819 755533.4591 758463.8011 803902.3636 739456.5531 641487.1299 714126.3456 740601.8462 768090.1396 4915935.529 4775274.787 3394561.358 3294787.292 3145439.974 3090779.313 3504019.968 3662942.614 3664511.086 3613440.7 4206318.168 3572921.166 3685647.263 3615722.374 3361605.927 2960738.784 3846768.554 3220683.185 6137093.524 5624399.012 850254.5078 747379.348 684740.1406 551148.3058 752967.6442 732186.7291 933161.0801 693633.0202 720290.193 663909.5616 810581.1697 833949.5623 778085.0529 711946.8873 770321.6015 738421.1923 748924.3565 740223.6603 677233.8577 579182.4927 277999.1768 738124.9935 697159.5383 647135.8874 572739.7921 529902.2499 505368.6421 780487.2097 3462182.189 3402476.098 3272134.102 3137852.017 2951347.673 2930446.103 2972801.043 3840630.179
NP-005146 4127116.937 3574310.31 3377158.616 3195119.001 2949422.213 2510677.562 3373392.477 2844427.649 3261941.752 2773738.787 5057851.597 3047446.369 3639302.168 3640818.715 3933335.846 3568929.593 3497918.205 3179984.767 2687341.318 2847762.156 1730512.454 1142297.944 1017350.206 1064338.752 1007742.124 1242653.793 621546.0746 574006.278 746064.6525 613029.2911 1481910.535 1198040.249 988653.9961 933481.8681 709141.0402 728743.3198 546575.9509 702625.7513 765613.2742 734964.0073 4052284.674 4065363.918 4103484.04 3188400.545 3708324.271 3105070.42 3895005.679 3167482.872 2444479.957 2820764.89 3646827.643 3197543.007 2911463.063 2885430.274 2554168.508 2212898.011 3012106.83 2586604.198 2260815.795 7403848.617 1147681.134 1101255.776 741587.6171 610007.7607 921516.0341 824046.0516 774058.5062 781797.5166 745754.9738 624582.8604 1043876.36 895180.9408 1391636.039 1136201.055 871377.3599 738548.978 568798.8459 587894.9367 653882.5591 603803.425 338991.2232 560831.8493 475493.703 402760.414 414636.4325 420170.4531 390476.6849 1014841.24 3130412.916 2645531.823 2045594.243 1223008.96 1555935.657 1859066.517 1619477.265 4712465.951
16-Heptadecyne-1,2,4-triol 390581.0835 404102.8719 490994.2646 496824.1294 493006.503 439187.3136 371928.9664 378216.6686 515644.6733 392339.6505 1189807.998 839995.1109 630664.2813 570028.6505 996993.3894 845095.2944 440058.9927 492014.029 506111.3663 642379.6501 435843.2847 435819.07 364300.334 319814.5059 293763.2598 470703.7218 346184.4834 294029.1581 330275.1435 277706.4675 382384.8115 397793.1626 335651.672 297351.4393 379677.5522 355258.2225 275117.2039 345215.3352 265064.6563 284402.8937 765273.7493 750337.5997 616310.9154 570732.6187 503373.542 454248.7138 441880.1848 408119.1777 442086.1159 574389.8934 714383.1451 572930.7302 407666.5594 334569.7152 515791.1644 475907.1688 465740.9797 410603.432 5954364.495 1350727.395 335466.2031 453634.9323 518632.2341 406731.7354 367738.3116 251594.449 312572.6912 374669.9736 256510.6502 248323.7788 407730.1553 424085.8523 556582.3767 557682.276 249663.7535 337025.576 317945.3014 286338.3577 310851.0038 336744.5004 467776.3337 295355.1764 243043.4951 319907.3731 253970.157 245421.4505 242480.2921 418491.8626 655523.2353 579128.3929 456063.4214 405061.4983 540431.9027 406622.7684 411885.9065 732672.8863
3543 611383.4354 585346.8748 500318.5744 477783.9282 664341.1629 707386.8941 574449.2007 507810.2067 574658.5287 464531.1551 5910080.839 4738216.685 757145.7288 685172.8545 2278969.153 2049844.403 495878.5464 534593.4548 438605.9662 448991.9232 309015.6898 268440.5846 2309172.864 2171073.618 433652.3588 477878.035 128042.2048 104139.7794 2127351.725 1812041.784 458858.0642 630436.9885 987644.481 905049.7485 158120.5128 139955.8319 4783100.902 5878876.226 456795.8363 415977.8973 2508941.256 2419206.958 1150943.935 1343020.633 820512.9178 933445.7877 957641.2144 823224.0047 1469983.236 1473340.838 668259.2153 539097.9391 869993.0148 874414.2122 4095781.118 3480877.933 971600.5246 805248.3855 6934979.331 5946011.864 233662.6473 236546.3652 3116070.46 2654768.675 348141.8323 249234.6747 415935.5618 377272.0691 971585.3495 1000421.622 398444.9006 356933.3539 3204195.181 2933768.052 904143.8259 860763.2042 659214.2999 717397.5871 3112170.261 2606774.964 376936.1738 155066.9823 139971.3173 102933.375 78717.59006 83652.60754 66722.84823 124095.1519 702648.8714 754288.2983 593674.6101 599709.2738 518025.5154 487951.6763 435356.7246 1007156.872
Tyramine 308631.6112 276247.9429 363954.2051 356339.5938 329469.8739 364161.9655 444791.3845 298880.7722 380243.1397 227292.5386 1437542.639 714126.5909 335927.9027 400019.7191 561284.6008 430385.8292 439981.3921 395582.933 328058.241 289287.0203 284145.7092 186674.4225 845786.9374 866951.0265 430920.3979 480168.021 117164.6429 130795.5082 503591.8948 430580.5692 364495.7245 392493.6295 542265.0447 584701.784 142556.2559 193838.3568 4485299.949 5903715.926 250147.9427 221153.975 1344582.942 1287182.866 675425.9056 612930.1953 329966.316 373685.6764 591162.6951 565162.6488 1407509.092 1441286.197 391080.4332 239472.5413 504782.2141 462173.062 875078.6642 752468.8181 524936.4733 441491.7497 1524451.848 1170737.911 205158.4639 226495.0719 2144837.859 1428368.624 149047.4152 189756.4919 249275.2841 192985.8424 292280.3093 224685.8913 438366.8103 392123.2191 1351684.886 1269690.722 484197.4943 418635.4635 1389346.231 1184642.176 2082947.729 1996122.091 140091.6772 49427.99823 35191.20386 31999.49969 39801.76348 44441.28475 25980.20931 26487.5756 402461.8918 423491.8347 363849.7487 410574.9489 404662.9674 332900.2991 346092.9272 456997.3001
Phenylisocyanate 2527662.733 2591995.872 1816063.365 1677671.242 2872954.588 3226838.736 2315187.755 1817938.57 1975329.562 1573601.154 3038846.265 1872121.127 3400117.838 3454373.227 1766372.114 1633273.546 1731333.311 1749178.901 2419306.191 2255334.114 1821612.412 1581043.232 2596243.085 2746565.539 1220941.929 1121956.08 1894781.723 1941150.126 1626430.814 1300978.518 996004.2319 945219.8737 3187612.956 2954660.4 2488403.205 2583945.875 980843.5251 1190143.616 2329335.079 2238217.733 1560293.099 1546895.828 4873168.836 6493331.391 1656602.139 2198965.856 2160551.809 1693824.703 1647600.508 1714040.889 1983054.628 1609242.474 5067699.548 4749399.342 1885042.537 1754392.204 1611346.694 1406273.165 2387271.542 2823380.743 2285763.855 2295261.561 1688741.351 1269231.817 2175540.76 2157812.65 1486962.207 1359094.573 1422253.426 1155111.193 1534325.714 1524154.412 1817690.476 1641384.331 1299509.433 1104714.127 2111201.301 1957396.662 2501934.667 1837011.802 65231.65319 23604.77126 26824.48739 17829.23501 17129.76162 26556.26725 30181.6278 29623.00076 1390812.471 1431649.621 1452976.049 1749068.29 1306219.807 1331224.839 1280304.053 1602405.576
Octodrine 1533535.525 1274091.632 1312522.961 1339022.079 4351043.408 6072836.065 1607948.186 1358613.897 1406059.679 1212976.835 4140502.08 3093513.759 1855941.656 2073897.851 3226721.361 2930459.84 2766710.084 3247988.601 1225264.033 1554696.847 1950717.58 1941667.246 3007767.554 2906445.283 2360056.189 2580769.819 1696121.548 1720484.25 1333866.172 1003236.295 3390990.098 3168080.475 1344948.491 1540383.757 1158873.151 1478436.69 1610649.203 1766604.661 1568034.849 1643299.941 2689455.218 3297740.808 1771615.029 2861595.4 1280654.082 1260726.713 1248317.823 1658350.284 1705529.142 1633287.134 2091766.382 1974765.193 1732175.928 1534717.824 1462191.093 1917535.017 1131136.693 1054121.068 2874454.187 1857876.373 1482871.312 1739153.542 2347562.46 1655165.973 1423443.183 1351181.985 1798712.624 1534830.339 1201557.049 1370822.12 2356715.242 2231843.634 3272339.782 2722372.359 1493083.221 1468243.448 3430983.934 2657413.304 2148125.455 1876774.03 609813.4846 1983331.252 1107300.552 1336406.193 580058.7493 631450.2671 559902.3915 814702.8933 1050427.23 1421841.055 1179638.23 1321909.987 935544.3132 800728.246 1052143.094 1475152.506
Etodolac 217144.5312 214179.7622 196348.9673 143555.6183 2421599.365 2695754.8 70734.60147 61740.93429 269431.5751 318996.3964 135346.8338 55396.01476 2791437.393 3322253.189 3983180.298 3085749.952 85306.58185 99629.12864 176253.7911 212669.2181 666725.4276 374636.4347 702338.4555 689191.4162 80478.51828 61882.78376 1642046.904 1518806.273 309464.868 322428.2843 624024.3793 418688.3914 236173.4881 253200.3299 64109.72996 75305.1645 1426310.289 1909524.396 90248.76667 80964.48625 45938.34794 76936.78078 2243090.045 2211338.567 112546.443 116204.9428 54385.61232 79821.66923 64524.12955 70007.32077 70773.80592 60711.40504 1195955.026 1010373.222 207675.7046 176798.8573 195614.9667 198398.844 882341.4661 521675.1929 121486.1897 80754.15542 3673809.753 2790388.882 53131.76012 48217.54969 92088.7492 86266.80469 1027490.658 900216.04 4832275.076 4281352.243 279057.944 228897.396 342847.3631 317293.8695 376490.9349 273373.6087 5180775.104 3946870.944 80965.09276 55844.17487 58124.24497 26734.91024 29490.84938 29197.08744 32854.26173 74973.18812 968336.6312 819940.6275 757696.9833 721686.6057 607962.7714 600031.2781 597581.738 1404543.322
(2Z)-3,7-Dimethyl-2,6-octadien-1-yl 3-oxobutanoate 1995109.84 2037796.52 1506486.179 1494401.064 2417475.434 2398910.851 463492.8409 349615.8344 2109651.584 1599298.916 1147056.368 689626.9287 2603806.721 2828352.475 2040864.363 1893000.399 380606.3448 338820.687 529422.4259 457292.9455 5993151.944 5045338.627 615346.6718 646102.5572 4062552.741 4103616.416 1407603.819 1427180.471 953555.975 783724.2782 1122811.443 1097826.485 335222.732 333139.4669 268342.7552 92660.21324 902085.5209 1160928.174 898991.0123 918455.9483 3758005.282 3977378.089 1952538.408 1839644.4 297680.8995 290064.7569 1785541.457 1544320.413 763887.1106 698883.8617 613726.6603 449978.0703 1578495.292 1480481.524 165284.129 175545.7951 988381.3287 868802.5816 2303971.911 1063610.283 1189878.082 1091587.487 1736146.226 1223118.461 160014.8877 186409.7281 1170550.073 1211593.892 1550065.665 1209379.904 1040761.516 865943.1644 220103.0888 261668.0961 455198.4175 474116.281 577836.7713 621843.7994 518196.6778 412764.4772 214053.8443 227395.2618 204544.7005 199025.3943 179808.8586 24109.55793 17936.85112 34055.44947 1230325.209 1193013.74 1273953.481 927044.0198 923708.4538 930351.0041 913260.7196 1577771.852
3-Hydroxytetradecanedioic acid 2665599.396 2749310.675 2581770.893 2541457.149 3196381.535 2946663.248 979679.9651 797794.667 3371407.18 2859302.467 615436.9853 300698.8083 4213221.439 4300732.746 3205414.225 2815587.808 403962.4623 399467.3249 684797.178 649114.0375 5584670.076 3533080.07 1951736.826 1949605.455 4136604.135 3905330.867 2361130.937 2698455.404 1814743.937 1310093.933 2094375.688 1857837.499 551706.1454 543209.9624 165573.0186 157699.0173 1024105.224 1245592.957 1090962.484 692196.2926 3827654.572 4237263.619 1879531.954 1908495.585 671897.4614 737846.8098 2767148.917 2556588.948 1248669.508 1163909.58 780399.0741 606415.441 2664080.204 2501875.451 208176.6682 176939.1887 791956.024 608468.7782 1616633.201 1756620.223 1735939.344 1812479.11 3069103.195 2150569.132 422152.4521 415918.6811 2309831.407 2013699.239 1324122.677 1224922.215 2901289.796 1805041.756 307046.5898 292155.5034 269127.637 309852.233 1055178.549 992513.335 1192735.456 1020191.778 58681.11488 31509.13108 35296.6344 43748.64928 52255.35604 38885.02423 44222.69224 94708.27507 1905193.071 1828735.489 1688176.64 1554354.925 1344699.778 1310339.132 1228349.384 2618047.112
TO0127900 109615.1528 123618.2792 105167.8634 101422.358 5379969.673 5585652.996 27610.08803 16530.66138 90083.4727 68310.78195 47782.76794 101146.0786 5440421.618 5753812.824 2226669.939 2063683.895 63788.24124 55331.08839 36943.07989 46630.3479 162569.2751 148810.5816 123687.5862 113677.421 57626.28516 70631.34829 2870859.636 3011966.78 142786.8092 84727.31823 89281.45401 96410.82763 173206.6248 148690.3555 25764.67861 68007.01357 2252601.59 3064843.204 32426.50182 77744.61047 89511.48 87950.59065 3177073.789 3421694.905 48549.26516 50929.82615 52821.21313 49947.10883 66410.64467 26383.13662 26570.87312 70364.54445 2698860.843 2520258.309 62540.2543 84301.37973 63968.44124 60063.61555 166621.9999 114816.0483 94346.93707 82325.27618 6119667.817 4669564.683 21298.62819 37614.72174 78502.51039 83275.61897 359584.6284 302013.7957 1909114.582 1717066.659 3455587.421 3384144.453 102218.0117 71656.55114 731742.5791 687720.1931 3442775.173 1984104.159 50368.34777 69405.89164 62280.34314 49278.51826 41729.26164 45917.90875 32630.64455 39106.77991 1008887.033 1032079.196 961518.7568 999507.453 817647.76 868931.4259 767910.3743 1247238.689
1-Isopropenyl-3-isopropylbenzene 359075.3815 341126.9644 371070.1081 424698.016 215712.571 312683.2787 243820.9747 191855.5153 499367.6207 319220.2064 571239.1251 331782.2553 446414.801 439209.3968 741334.975 582439.2149 473714.4781 553782.2542 771010.6007 543100.8342 369550.5573 298327.9559 414507.4641 394865.4863 395820.4563 367726.6382 291062.9643 218252.2484 246107.4405 139951.0913 756892.0416 680124.5373 366124.8565 392520.7687 531430.9309 658003.5408 184805.2343 195744.7285 238307.9488 289948.4653 345840.8229 414030.2646 344775.2411 329492.6303 351267.9656 355567.0945 258923.8267 226979.9379 221357.4784 256470.455 595316.0077 465097.5433 165281.3984 236702.044 350194.7012 346812.2054 326443.1649 298373.6389 414288.067 680448.1219 651865.6043 584232.6422 492491.8908 416495.0391 591216.3486 588962.0991 532945.2807 425023.4693 438796.2703 392431.5933 803651.6196 649510.3229 630344.7705 658312.5172 474040.5333 521892.4873 447350.6386 458533.1712 340981.8903 266764.2942 59639.49557 41393.29582 40884.09724 115257.4854 50294.1059 40329.60076 41434.24561 68848.43572 4739088.018 4882913.615 4666255.543 3924813.919 4025022.584 3997469.625 3680662.049 5675430.786
N-Methylglutamate 5109542.198 5794892.956 2589719.318 2782549.601 3821402.345 3215779.469 6304227.068 6284427.605 1325286.875 2023822.82 10496996.1 6661488.978 23143295.66 12738057.67 18681740.52 25414478.77 8231333.491 6566864.884 4428343.189 4762196.636 3921656.717 3497942.939 18346338.85 25214819.31 42767843.94 45201848.26 3177940.883 2697603.886 1942192.37 2352517.422 4930006.01 4340511.364 46765550.59 40261661.86 14705773.59 11558003.7 2222897.481 3233210.373 749665.5175 1125192.57 14352347.57 15741071.85 46208821.65 39762738.9 9119040.794 7726119.772 8737822.962 5461655.395 855339.0784 734039.7262 48655865.74 29040718.45 4339255.047 2577598.658 2869696.216 1622409.432 1780742.717 1574806.588 2947999.713 4003641.184 18465363.82 19862378.5 18487545.73 17236863.61 16158970.62 13267810.79 10139596.05 7437942.241 2384231.435 2244836.214 4212304.91 4522161.445 7220019.894 5495461.269 6257374.774 4710284.152 10356790.04 7742802.949 2451202.105 1718967.374 770203.5289 304661.248 16908531.78 424274.0454 375136.3989 375326.5633 336398.5159 430522.2029 869421.8397 1075145.622 48297627.71 1333419.849 998643.175 1557889.677 1172588.842 1470971.428
testololactone 42352.9188 42287.03528 48118.92826 48945.19873 65854.60426 49215.15821 51079.20727 47153.56109 58235.15369 63526.54496 35948.85519 35791.11121 47614.00181 37095.32222 42579.95438 40403.48376 54169.16093 89225.40483 58882.56597 64188.1882 46035.64497 49265.01826 36510.23125 33394.6009 36603.44336 32346.24314 48949.65215 45275.50016 48225.48787 45961.82844 80203.09599 29614.00656 37469.42251 49056.36953 5618127.272 5255959.929 44204.35719 46986.21027 87621.3989 71646.42065 38145.85426 33022.23643 57280.6385 44809.61067 39098.98153 46134.55869 40394.93338 43611.72 44503.97272 51452.8475 53386.16537 36516.99964 56061.21972 45779.68125 84250.669 48565.53765 55297.57685 78173.24548 245591.3814 117867.5235 40558.91383 43020.3118 43670.36689 37690.05595 37909.29027 39192.79895 64610.22765 35988.60531 46617.2358 63433.66338 36646.20627 33231.36439 37263.37986 31114.66614 39038.1206 67336.1066 46862.64792 43481.79412 88310.08926 37729.26967 34770.80891 27481.82211 30753.23031 36211.42581 43164.21911 39571.37839 45076.82674 94909.30989 275256.5839 246377.7992 193184.1447 167557.4702 134900.2171 160430.3162 195405.2078 384159.0168
Tetranor-12(S)-HETE 1032016.792 806786.2231 856000.4226 812363.2086 1229619.689 1340663.656 3605943.856 3052912.612 1305521.432 1242324.117 1867077.166 1545763.553 1067736.46 1087741.676 744080.3189 937818.1592 3259069.009 3581164.051 1236853.682 1211848.724 1143343.943 653073.6266 1207630.619 1302802.149 1180619.437 1399277.326 1508339.562 1512739.664 822784.8888 587420.7308 904011.1429 862129.6848 1460987.365 1575994.823 2402761.721 2017996.628 1667863.805 1899630.296 902068.7332 1468918.355 836334.8153 963453.1297 893149.3173 819178.3048 3159014.72 2771590.808 2273413.919 2185873.604 1879891.22 1356454.023 3805000.089 2815637.07 1019263.269 949365.8141 2576011.31 2560649.29 1452157.862 1554426.342 4989186.028 3947177.163 2463251.113 2980422.813 4841228.975 4111645.394 1268269.052 1024432.477 522981.9386 718456.2664 2356887.383 2103084.885 918623.9134 914136.2946 2162214.859 1519816.35 2018908.376 1925132.75 2463604.702 2442845.426 5584612.822 4433379.276 572121.9905 389807.8093 277686.1684 296800.1966 273877.958 280174.0178 514989.1473 672242.6236 2751726.795 1664086.834 1311431.5 1295758.849 1371022.84 1220824.989 1514424.078 3716414.053
Dihydrokawain 174235.034 201552.7423 167499.7895 180166.4718 113506.442 109823.6694 163813.0367 177805.3918 147812.9556 106509.1504 250704.8979 273365.9655 159866.1903 155737.9568 158720.7875 152109.8604 166945.5757 180073.4172 197092.8746 202607.0261 232635.7716 240184.4489 123928.7028 192298.6164 240244.277 206227.2798 144520.0106 125808.7573 169850.1682 179731.9059 253347.1015 246833.6916 207940.0327 192704.1785 175950.1785 174781.5034 108554.7329 114036.7633 123084.3135 192341.3171 159062.0464 149008.9943 176341.2866 234398.0765 144537.8937 153698.7405 167142.4639 138741.3987 169310.4051 168353.688 171689.2535 168008.2625 115199.8174 167807.6044 139864.0653 130577.501 113810.3421 149579.5737 7019401.591 345512.0602 259868.631 189320.6709 145393.4354 187448.9557 175094.5925 215236.3369 229509.9671 200879.0696 208456.1514 99970.70315 180890.4453 204754.5241 195120.9227 177722.5853 173888.2245 172346.4432 194706.7994 200214.5255 97296.58954 137714.0122 301416.9766 334049.2588 302665.2813 233013.3174 244078.152 183487.5357 243773.9081 282137.9478 200184.8666 185338.0679 168879.3226 156743.7481 124116.1496 148454.8979 188567.7003 222984.2006
Glycocholic acid 1268675.59 1081624.304 884996.6623 862273.4161 1351388.823 1387114.686 2934906.897 2479971.371 700372.2524 595258.3067 2554003.6 1515926.904 2924858.102 2922493.154 1518161.769 1298684.885 3399557.729 3301126.941 1270284.865 1157758.332 649309.0278 542288.1757 1858544.046 1817558.929 1201122.006 1131907.36 365658.2187 380618.1975 1427443.242 1200148.88 2546394.902 2046300.767 2209732.199 2298391.839 642930.7001 566755.9921 1432698.356 1768884.835 413352.3186 423305.5052 3473498.678 3205800.114 948429.295 1048945.624 2130414.859 2174957.927 2444601.174 2120491.873 913118.7874 915019.2514 5390983.391 4633974.13 696994.5165 634222.1894 1787036.876 1465465.057 3594657.073 3172406.677 4453572.977 5292303.873 3350438.638 3250074.179 3481545.576 2441248.154 2451226.918 2418760.314 410936.3145 310392.1811 539101.51 480655.2994 783093.3273 760527.3834 1980549.486 2031556.758 1028232.862 894787.9649 3277900.734 3106981.583 2007540.953 1905881.445 36244.07055 21790.49096 25701.53902 33719.69718 45598.64198 35867.5861 42581.77395 90040.18177 2092469.393 1963713.978 1751704.869 1746032.196 1390909.952 1358352.348 1225369.889 3105904.077
4-Oxocyclohexanecarboxylic acid 421678.1401 511446.027 345144.862 416643.7875 529178.6567 482215.3846 1236935.15 422102.0587 697328.8246 278723.225 6027682.601 3536059.089 7641019.042 1237344.348 2782978.992 2702835.574 495665.7198 649939.3568 358481.8173 436654.4236 561088.4505 481199.7756 2115777.94 2408932.621 470169.5047 709238.5866 373245.3787 744128.3019 1212249.168 989285.1317 569760.1832 630622.6312 4155715.436 855979.6507 334683.3236 401046.7688 2618009.078 3102219.37 530475.3718 699640.2392 2405131.92 2721138.649 1290845.55 1775080.902 512186.1863 709076.7756 1744129.609 662702.6556 789949.7218 903633.108 705428.4159 541451.3624 787530.1641 845637.7593 3079502.52 3055634.975 697803.2344 631519.2478 2474911.492 2678888.599 414150.8933 828752.8673 2243691.74 2395711.431 174970.4118 341775.6266 626496.8635 556112.4818 759671.2784 811010.2273 857990.092 602663.2171 2616457.831 2410156.56 2973015.811 837270.1832 5614309.037 5734936.276 2602916.571 2695852.992 230226.0262 47610.27775 578815.095 116346.6162 61340.23193 88295.0308 125021.7869 132940.3941 420288.3045 330037.621 519946.5653 763584.4932 634634.5329 374422.0044 475885.1086 482496.1177
9-Nitrooleate 90167.00877 61216.80486 61313.59091 175746.2181 4210663.447 5061088.464 60054.3462 58472.85046 77109.82363 74342.7931 91611.87625 66154.08149 2842266.029 4843201.611 1292408.419 1137504.125 87729.51973 83256.28004 100009.5259 96516.35399 57752.13687 184533.2833 47621.00584 45342.89483 56582.375 55545.3365 2445608.272 2568908.039 177848.8333 64416.34855 68593.39729 139549.4071 48197.21125 50274.584 75022.54679 85874.25922 1417942.64 1835604.546 65164.76926 94012.5373 83202.8469 74072.01675 2783701.308 2784671.009 53479.14747 60396.91387 52929.95217 65755.80472 59809.82398 64706.62862 85114.04849 80388.6015 1476581.519 2048988.563 81978.75893 79529.62158 72963.29924 76491.24256 2093640.251 205314.8069 67970.49045 63360.80481 3900200.162 2004469.533 65285.6852 61478.45243 68795.46254 62061.74727 92920.65307 72789.64339 1477629.877 1594439.779 76628.39762 66670.83731 61506.44534 59367.2524 273811.3879 229318.4882 1226539.412 854532.9322 48825.71359 32937.78487 37996.26911 41068.07363 48389.54198 41859.81515 48963.27112 108455.1231 623262.8993 625749.1686 544372.6479 575979.4526 417077.0643 363139.6566 479146.0845 915853.9395
1,2-dihydroxyheptadec-16-yn-4-yl acetate 1359605.376 1445731.667 679513.2096 487104.2558 755242.5773 863108.4693 1316537.918 1169993.712 1118965.474 915630.6535 2956869.168 1713348.141 4879454.083 2750023.415 1391635.851 1173968.192 1636021.233 1472386.801 2066316.266 1797216.203 882740.4392 713205.847 1652262.434 1434567.885 1562660.201 1483933.051 1101304.857 719138.9953 772715.8193 702869.0176 1686484.635 1559272.154 2658044.437 2064004.55 1602607.976 1620666.76 988106.1416 1433397.473 775256.0099 672699.6119 1869346.855 1640246.285 489441.4445 782264.404 1248385.297 1251453.876 1475749.035 1483714.891 630199.3102 457281.2005 2017146.614 1660824.41 434965.2017 727611.0545 710158.5813 524014.9872 1667450.164 1336131.656 1770073.245 1725016.301 1934041.325 1728914.415 2627003.992 1786498.486 1475916.894 1366742.051 703263.2375 662758.5854 2206571.654 2022231.024 1521291.667 1058828.6 1713780.186 1229240.074 2379398.807 2174424.526 1123746.543 1259270.142 1905749.163 1507107.524 54138.55584 86037.78821 209708.5981 40578.07724 156835.2291 59677.91136 55648.42633 110706.7705 1501659.117 1406365.433 1246356.728 1166079.262 927459.9732 765512.1702 800688.1664 2417687.987
Brassylic acid 2196596.293 2128395.148 2386842.27 2474602.321 2306470.137 2343418.073 2501113.979 2054678.619 2492150.029 2110760.965 4066052.337 2032870.196 2757199.847 2820903.418 2911178.268 2674835.741 2350486.107 2406012.514 2318505.214 2370367.161 301999.8917 248015.6003 504718.7329 489596.3039 312132.0116 313828.734 256436.1689 257318.3677 416470.5467 332644.9998 283190.8206 578610.8281 287308.7246 277806.4343 289942.3661 228899.5865 590725.4253 1070861.155 297233.7946 292213.5096 3026767.004 3208409.639 2579283.52 2546705.732 2312130.45 2316951.918 2705419.437 2356957.214 2243054.301 2331720.749 2537720.985 2210469.366 2453727.215 2310342.287 2600443.325 2386498.275 2559861.61 2313826.476 5584070.572 6883141.711 273405.7037 284239.8784 591014.1791 597680.517 245090.7788 274107.6825 403874.1927 282730.6756 347035.9448 297464.2128 273790.6616 256678.374 482685.2872 674847.4365 337901.1038 293826.2179 354350.6396 525303.6032 465022.455 357688.2106 153652.2138 141218.9764 161372.4066 145734.7098 225401.3398 186562.5044 155664.5316 388741.7971 1785832.338 1542072.519 1225579.104 1353977.07 1111254.047 1163783.639 1110669.758 2287705.389
DEHYDROCOSTUS LACTONE 72235.8379 123400.5763 58957.33829 59227.7196 99324.23788 196252.4378 118163.1224 96256.29528 57056.42497 63732.52737 137265.113 206984.7828 144640.8575 153782.8545 87669.58018 111362.296 114062.9371 121381.6081 116118.8185 93445.14137 127516.3594 75412.1961 57566.12676 157139.7095 73909.67024 161476.785 72231.35862 172747.4271 100076.0493 64617.28374 123580.7187 137655.1618 62397.62122 105738.2504 76288.20607 103046.7058 202648.9522 50256.61586 48745.61104 49269.82835 130978.3338 156939.9435 136466.1387 105548.8377 98201.86059 62605.2505 96123.29097 60107.59866 89128.19038 213470.9267 92364.51364 128924.214 68041.0165 58072.23435 102978.198 74954.11935 70129.08343 90556.24841 5263290.202 187426.5607 451453.1876 148475.297 105369.4929 87644.51811 102374.4487 89736.0676 60982.93178 63684.1329 53405.66469 53658.08574 102713.2485 167222.6516 116513.1955 77379.9582 212120.8941 255546.0136 204456.9611 61251.79373 57326.02204 67584.68392 149636.3585 91284.92242 79019.02068 122747.658 54504.07733 78238.17483 77881.49939 110395.9994 125617.1143 141227.0071 215648.492 66245.75616 87402.63306 56257.45583 51118.71776 163518.7738
4-Hydroxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one 1945042.194 2161039.173 1394797.797 1022039.414 920051.5201 1067106.277 1199625.224 909341.012 1012913.718 733610.0024 4253954.516 2451640.279 3229677.904 3035929.305 2241595.554 2046367.247 1881117.324 1852941.073 1866968.568 1699418.483 98064.81277 70165.69177 80170.05975 90456.82964 89072.2583 141795.1382 111079.879 155880.9646 163254.7616 157523.108 101254.1356 116283.7196 127875.6603 195834.3682 253451.1157 182838.78 92958.26555 95791.21713 154387.3239 190819.1467 3501491.566 3841379.209 2213055.09 2268039.987 2655494.175 2057565.385 1381344.133 1405488.708 1302157.558 1216047.452 2447672.03 1946922.937 1115928.215 1036313.014 1218549.135 944037.6218 1214563.155 1073431.623 2195686.722 2489615.303 180928.5692 212317.1386 106105.7633 101373.2856 113323.238 142584.4218 137187.9235 101291.9178 105261.7331 157840.4005 131420.7007 160577.7426 157846.7609 193021.5081 141367.6878 154810.9537 105108.9956 109912.6389 138421.5453 138803.0834 131542.2883 66962.83243 66096.46685 134821.2452 87709.56968 85447.84141 93416.29182 191193.5806 1843115.023 1539077.058 1406747.206 1122169.444 1067178.464 1326447.315 1064403.547 2638240.809
3-Methoxycinnamic acid 360100.7063 353892.9159 210304.3865 299925.9441 312061.6546 381223.6631 257064.7441 331472.2047 294819.0055 354415.6381 409890.4639 545077.7446 285796.4636 339510.5616 314111.5972 374911.6663 321427.0305 245691.3193 196112.3659 266302.2119 487272.3217 513561.2262 272380.4021 368516.5477 342224.1226 394975.4694 231487.5514 238409.6437 231572.7708 320859.7399 374635.45 474992.4241 296929.002 314974.2246 298246.8328 323409.7792 265006.28 301564.1645 276237.2587 326163.5623 317896.0548 386117.9024 258811.8805 304494.8234 256207.1666 253128.3746 303476.8489 270287.2594 295625.0577 236690.2732 427589.9088 312913.4148 227021.6326 292893.5372 259495.114 324493.4156 209385.5819 301797.1202 5308399.005 404012.7404 414282.2567 360606.1529 328278.4149 374440.0309 294579.361 322244.2219 301688.3765 369302.5773 323705.1918 277478.5052 350870.2663 523433.6564 361070.3413 552438.9018 298926.354 299184.3705 337503.7143 231319.2857 256061.0735 293577.671 714184.6793 588814.8293 459220.9691 410109.1593 342237.9326 320595.9231 381131.0692 574393.4418 449050.3215 329739.0129 306021.9914 245491.2131 246343.0473 320105.6553 267357.3444 468555.8447
(2E)-2-Tetradecenal 590087.0605 561036.1524 491940.7209 628036.6919 564280.8087 638477.4202 652106.3717 496358.3433 548887.7543 432450.8624 4517557.611 3297395.217 1030796.118 912630.4111 1532676.708 1239256.376 593197.2725 596550.1917 610243.7547 768861.0848 305162.1014 287578.6992 1212535.678 975320.3955 322481.6434 308627.885 305561.0974 210390.7712 947868.9608 809960.1305 343925.675 499179.1498 549061.3744 439438.546 305630.957 297200.3773 1783583.16 2296248.827 411655.71 368018.6951 1388337.957 1477693.127 1107773.105 952419.8288 746390.1339 685917.8832 644262.0991 640093.9305 760321.8582 707901.3289 782286.8208 645188.3103 733433.1282 569637.2085 2150688.638 1746159.458 621978.3106 487671.4577 5049594.861 3056530.955 235972.1209 313157.1472 1554138.181 1090421.17 242573.0598 204351.3575 286482.6125 237517.2228 542860.8123 342861.627 350118.9021 342330.8684 1993456.893 1848286.037 311331.9109 437336.7523 235408.0866 335319.3963 1080045.996 1093215.27 163407.7064 134657.635 60072.60968 229671.6033 187835.9049 203148.4951 176879.9358 332948.8773 711625.1838 560682.7145 509839.3957 399345.3612 380449.411 363266.9406 306000.9115 891551.3712
Ethyl caproate 566602.181 552760.8347 507064.7657 512113.4367 490757.2533 494652.6985 489250.4786 396769.0073 454855.4976 368975.3931 681598.7762 363178.8628 697699.726 654088.8551 608605.3051 634383.4605 557095.2526 561546.4025 590274.3902 483458.5009 629301.7222 583566.5714 667994.3462 628986.0413 681284.746 695334.4545 505243.6535 577480.879 489542.0772 374245.6694 719529.498 648696.1148 698614.9872 598730.3822 394555.8828 640059.7662 382002.2973 484317.6228 421606.5383 458497.9892 675451.4618 617645.2524 520113.8655 561219.6459 587379.4421 496619.4417 529891.5302 430243.7224 522295.3083 504269.0278 559640.9498 499138.8563 523063.6552 465340.7096 447892.3652 357564.3673 413772.4963 361247.197 1143759.422 731431.9176 661776.5068 670561.322 719615.5433 468540.0889 653340.9672 578336.0725 569458.9252 535901.2818 465580.1668 381396.9801 738155.9807 729813.0419 717059.6233 658417.3073 566762.0107 458614.0903 618960.5865 580383.1433 472631.0295 350035.6697 467451.2845 784365.8144 771298.1911 652422.3696 599127.9316 504995.8795 474040.6828 814137.4022 4503101.526 4545854.601 4489514.906 3465326.763 3961253.928 3802560.227 3713418.528 5193856.947
2-Methoxy-7,7,8b-trimethyloctahydrocyclopropa[4,5]indeno[5,6-c]furan-4a,5(4H)-diol 1040768.633 829945.2213 919229.6911 975321.7118 765038.8588 657127.4229 723206.2684 637573.8463 812951.4047 694379.3778 2661929.016 1327996.82 976380.7297 1052528.566 1349492.971 1267090.745 985556.1737 991527.0237 1189582.662 1327574.528 358139.9071 300917.1848 683464.3348 594859.9409 534968.4291 277044.4441 206411.0657 223340.9452 535128.9587 407177.8722 285807.1626 350309.3778 467644.1628 436054.502 285512.703 263855.197 961959.3541 1058477.431 253001.4777 193603.5109 1443561.598 1502529.844 796779.3462 715247.5785 703995.7632 761097.5563 943064.8981 815038.988 929651.4997 1015257.214 1189542.963 793204.9081 706309.2473 678099.2758 1258885.695 1061147.917 855446.3923 727066.7636 5811765.708 2523099.634 351603.1012 359630.0792 683354.1859 502166.3997 300253.233 316967.129 312134.9455 335659.4401 364953.4047 333113.0471 405943.0035 303786.8008 753452.2243 711452.0776 360320.0352 307372.7003 272553.7808 204500.9875 680148.6779 461843.9316 443460.2689 222069.229 189689.6562 102178.9553 120112.6773 102570.7617 116044.6402 145636.208 831361.9196 757341.3949 630334.5214 562328.7702 534744.0318 430248.5046 559767.8446 1079474.134
N~1~-(5-Aminopentyl)-N~2~-(1H-indol-3-ylacetyl)-L-aspartamide 104232.1654 121651.2073 210416.5347 191617.2892 3929222.841 3891376.544 131092.6995 101964.1543 326803.9385 303551.833 134663.3304 91636.90323 4364090.455 4333793.914 577570.5497 598852.2313 210499.5364 220029.8772 274320.6411 311501.2864 69211.04753 43394.08123 66013.61635 65963.40126 51838.45379 45501.63634 2379183.892 2528582.801 170813.1847 154614.6356 64927.53602 69559.92532 51691.81147 37446.85069 129568.4883 141639.2773 1653182.59 2101882.566 129480.302 112255.4208 64023.7588 49105.03274 2662045.176 2835340.233 70348.17841 72653.41116 93908.13848 83885.18283 147784.9262 162039.2048 102346.2982 132828.3809 2230342.081 2022223.381 304728.9666 252568.3117 236870.9764 216756.6501 759130.3384 398040.149 56363.51407 54986.25409 4609542.65 3792679.506 71666.92576 56852.39055 103522.5757 94171.17204 200004.0525 194566.4833 1302603.626 1033729.944 129077.9184 43043.01473 119990.8502 123178.9626 181364.0139 199917.962 475477.1397 323823.9095 47176.47007 46196.97368 21688.17813 37840.1886 32015.28318 39831.48091 35639.29573 128453.4416 675227.2075 569645.2323 498682.1186 622237.461 478346.0636 396133.4224 459933.7697 893102.2077
2-deoxyglucose 4090339.616 4015632.986 4172608.866 4131968.744 3694082.669 4218080.864 4407407.779 3859863.217 4202257.849 3677858.75 5058418.462 3202250.34 4744613.828 4978207.414 4823763.472 4254952.386 4382197.876 4177149.819 4019703.972 3977137.811 3074959.909 2461256.035 2807305.495 2632705.216 2417355.343 2412739.517 2145599.905 2078958.4 2412890.803 1996836.388 2527636.493 2571608.459 2924425.067 2679401.533 2518852.678 2440146.151 1979326.587 2235220.844 2167883.362 2287175.473 4567161.365 4414993.782 4240584.892 4280395.851 3900798.061 4347804.239 4276925.814 4218158.959 3827629.351 3842737.32 4695314.941 3946836.187 4136808.641 3771480.063 3707070.932 3222687.672 4451277.757 3569159.76 4764860.192 5606621.938 3006638.324 2897167.015 2423052.808 1743767.417 2488162.085 2408017.651 2633981.719 2169633.62 2375541.169 2082193.579 2641847.869 2275839.975 2749670.76 2586971.673 2317054.935 2305794.155 2464793.123 2233559.234 2331661.439 1888815.306 333290.4945 572319.8766 498713.5519 423051.2787 419806.8179 513383.9675 430806.2948 627566.7382 3350561.01 3336109.339 3193122.268 3109111.088 2762454.798 2671247.536 2688919.264 4073469.49
7-Oxoheptanoic acid 1459474.055 1479750.752 1949538.734 2002223.493 1112266.406 1244709.168 1420039.112 1140206.355 1905538.455 1531387.248 2761934.175 1533455.064 1504639.136 1676144.152 3921019.474 3545373.794 2167434.177 2151187.519 3444821.102 3375417.712 534489.3491 392409.4924 597487.4148 554271.0408 395099.914 462836.5713 389259.4071 421056.9817 636254.6871 572952.2813 516864.7455 390734.3776 626467.9413 630946.2108 578293.7104 603089.115 891364.9898 1205899.703 520121.625 517178.5581 2132364.488 2313503.177 1089314.158 1184212.314 1361203.447 1712774.135 2142015.067 1962824.574 2137267.762 1823126.307 2438360.7 1916745.478 2000422.747 1774160.084 1643397.092 1646895.622 2191575.806 1892519.981 4242988.076 3577869.096 416122.4972 440531.5414 551627.038 398104.2764 450302.019 436399.1649 546847.9706 491090.7669 742045.9158 648779.9778 771468.2535 568283.9798 919693.0873 793915.2068 817908.349 826839.4825 477696.4445 456434.036 795222.8045 643054.6838 149055.0591 377659.5892 302553.384 265137.3561 266229.5708 40120.49071 189532.498 45639.41223 1517243.743 2609301.869 2342570.037 2409248.632 1974565.143 1781027.339 1749161.256 2447388.634
6-[(1E)-3-Hydroxy-1-buten-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-one 2497982.878 2840840.336 3122596.185 3511887.066 2564258.1 2858049.947 2568115.952 2439453.333 3047975.801 2362647.377 4478060.071 2909618.679 3380385.268 3374742.434 2652840.923 2835467.751 2622507.548 2455418.08 2346491.742 2355374.045 628657.6866 655735.3823 481750.2923 513693.5189 439177.8616 753618.7626 240384.7661 318670.1404 496049.4153 411626.952 527294.4725 417609.5358 574440.2877 431653.9893 360041.1051 364909.935 256198.8483 405742.4985 533314.4597 606244.544 3440357.418 3475493.947 2157514.084 2925387.206 2308655.695 2566248.967 2977895.084 2626612.953 2658381.058 2911158.968 3052310.36 2546929.276 2316029.345 2528261.374 1955385.587 1885565.571 2529612.208 2365879.625 5860811.523 4461850.032 400664.4687 552058.6193 868329.5505 336599.1366 573935.8071 477344.6842 543769.0035 512084.9954 594922.7948 445285.2032 709632.2431 388469.2967 645505.4585 543390.7236 576106.5051 691464.9364 624994.525 543965.0402 515630.0266 307555.1495 471851.0265 827784.2723 719304.0439 667033.8523 534590.6791 512375.1514 588969.3695 1084492.575 1737486.295 1734885.398 1489112.646 1300046.543 1835976.031 1061214.024 1231595.172 2302704.274
Palmitoleic acid 1496333.052 1522837.362 1238090.366 1460037.091 1172294.452 1708325.363 1383021.07 1188967.598 1256539.841 1194400.989 3673605.16 1442646.554 1940371.241 2213102.818 2238058.048 1691606.289 1644831.661 1255870.179 1238612.048 1350359.003 451000.5672 342327.3637 381512.6322 327882.7825 831610.988 782519.3239 457661.4173 320459.59 263597.8061 332716.8965 709049.4577 675140.9433 379054.7184 423619.3725 553230.8452 489763.4216 1015040.154 1253161.345 1029970.057 209029.76 1236124.531 1461859.603 1456240.087 1770521.836 1280873.431 1450187.131 1333884.555 1070835.981 1175775.957 808906.351 1477500.616 1548226.064 1018567.582 971567.3806 1434308.78 1099635.795 1207963.04 1441759.399 6342732.585 4918641.277 365295.7368 411060.7923 2282505.665 1723071.879 468210.7771 448162.4366 207264.2498 262534.8197 400284.5189 490331.7285 1134744.917 808697.5073 1331780.991 1167947.874 477225.4399 750896.8565 348448.8117 437006.6979 1928387.026 1353582.052 442190.1067 480632.7264 79188.64637 98833.70512 536789.8296 81436.96303 92346.55885 266479.0512 1510212.912 1122476.483 876662.0338 905884.235 594660.9288 827434.0409 681423.5051 2064743.351
N-Benzylformamide 337962.5913 335653.1866 476743.3783 528970.678 353496.56 349982.3343 1037845.453 287968.6285 836947.4944 521779.3045 560561.5459 463756.3797 5006155.129 392981.1189 509532.5443 513006.1059 461069.5348 512856.8356 492235.8751 494019.6173 373129.1847 434561.2686 301037.0345 379533.4964 250378.9035 313953.5614 284794.3261 336142.0052 308259.497 309314.7886 624669.7638 519100.149 2619454.844 434964.2233 470174.4152 503557.5434 267826.5205 344220.1592 306926.9505 332301.4826 313494.0757 412608.4388 242672.3319 289800.1184 283661.1478 300523.4569 1278304.762 271144.023 358257.7558 381974.071 310315.2558 346697.985 305275.3779 289098.461 504130.1511 445216.7738 404273.5672 294973.8911 598301.0121 661458.9507 330982.8061 457707.9334 395144.7958 306981.873 370811.2799 449268.6303 500066.4857 534882.9651 559457.6271 516893.9472 537825.8548 627744.069 401941.1304 498213.9058 2149483.281 517327.4259 401479.9902 398199.0724 403938.8452 371503.1315 137199.888 162301.963 156617.1777 114728.6203 79800.1766 64831.89127 50169.05515 82275.36775 291665.5793 190750.3189 185186.4597 196946.5826 167822.0426 214560.051 151758.1231 312253.5669
NP-000919 147344.81 33084.09739 59731.78783 82100.80368 4626026.673 4462384.334 122700.3144 85157.42504 117893.5535 114674.496 28369.97351 132535.944 4208830.659 4733851.628 1793004.472 1660299.717 75506.07782 89754.37356 110874.284 122620.8699 159991.8302 173996.2591 176072.5539 172435.6877 106041.5107 110245.7812 2350957.68 2347528.246 65116.97326 41677.2682 80893.29522 50693.04066 49389.17557 23626.87649 92929.49508 96648.7178 1736055.289 2093755.387 130047.6553 105098.8608 21307.08222 129949.48 2367651.611 2692313.774 98563.60939 77768.51497 18496.63606 119130.4997 105475.5058 93127.36755 94695.47462 81527.23456 2248956.853 2101279.677 117729.7935 143164.8061 136900.6423 106418.9865 1056809.44 237465.8345 100706.0767 110588.9319 4809998.428 3955887.188 95279.48026 87157.31516 128046.8346 106722.4418 291752.2925 240745.9058 1705727.592 1400403.474 57572.35754 45510.40497 83624.34179 77838.76805 736644.0402 708653.781 1833104.903 1492940.35 148821.7837 83462.3181 93332.30306 75213.38652 80682.87665 79256.44102 63048.41997 140951.0189 723417.7368 699155.5901 686672.3304 651766.4765 531033.1156 512533.0951 478324.4062 990395.9641
MFCD08277025 298280.992 288314.2646 365798.9054 380444.8038 2880772.232 3137914.518 42232.5959 35761.40006 93389.55423 76425.71508 236045.4132 151632.8743 4613469.908 4976109.727 4450815.129 4405727.772 53748.71643 41482.54778 141169.6018 123182.244 846121.7492 634070.6632 458864.0638 343255.0844 124240.4791 105305.8614 1930518.011 2017869.5 448343.2649 383967.1644 871883.8026 784635.2949 210640.1943 238395.3109 30616.52364 132563.0443 1102655.206 1361544.778 101898.3872 109484.1679 251356.4951 232760.7665 1909731.565 2025560.983 25316.81643 21481.47619 69745.75205 70156.209 41919.24449 26820.48296 63124.43666 43178.30196 1440268.172 1268680.415 23042.46377 22168.34001 198945.4059 173580.396 188910.8051 42977.0539 45560.43777 49016.26007 4137182.399 3272590.164 33433.58096 20079.47595 114514.6573 120195.4538 1267858.046 1035847.777 713359.9467 594757.6285 282066.9541 249995.8895 506686.2598 482297.7031 3829179.206 3718617.93 4747355.218 3854154.428 67847.09061 32550.41886 16349.57077 25899.94358 18175.9474 16111.62299 14824.23864 47093.0275 1032111.856 995608.4663 851122.4734 823072.0282 721070.9732 645222.1906 604397.4145 1396440.594
(4S,5R,8S,9R,12R,13R)-1,5,9-Trimethyl-11,14,15-trioxatetracyclo[10.2.1.0~4,13~.0~8,13~]pentadecan-10-ol 1766823.518 1768200.9 2700446.42 2301116.921 1648350.206 1633453.779 1424970.63 1186532.269 2626711.088 2113160.48 3695493.991 2042430.349 1794029.373 1860036.355 4000061.85 3797019.651 2985358.098 2936463.582 2900704.843 2795808.053 322249.9518 294937.5232 342053.1554 308204.8688 277953.6274 286949.7478 393624.3673 330207.9536 314716.9209 291129.2779 342882.9248 453679.0123 270933.3319 268155.8464 267149.6744 305551.1734 176899.2072 224894.9115 361475.1331 380105.9369 2810484.772 2890872.311 1884082.112 1777319.6 1383999.446 1435886.02 1751969.466 1692837.187 2040301.169 1785461.292 2671137.678 2256614.88 1345439.474 1365361.126 1973683.471 1794482.54 1651151.395 1421130.973 5506233.255 4212978.534 386016.7403 381822.3643 471076.2585 238598.9098 275065.5804 306723.593 338293.4738 279971.387 249985.9591 264343.0367 433643.2473 370893.6477 318302.0396 284945.7072 337754.1592 311364.2777 353889.8004 341417.2436 206115.0056 190425.7082 148087.7765 263658.6247 214412.7378 216480.2478 257400.3176 184221.181 291624.0664 419056.4006 4350435.518 3803609.138 3613487.233 3010244.347 3004226.816 2703497.638 2646974.892 5831626.613
Piperonylonitrile 1193976.532 1068885.139 2307443.577 1999433.28 788875.3997 887076.1693 1150911.957 712974.8232 1917507.541 1542971.004 1976846.609 1188487.32 1082757.731 1198822.298 4465005.131 4432391.937 1694099.342 1700532.16 2906048.738 2679886.178 2172011.004 1665427.382 1706918.35 1637021.795 1521036.698 1317595.928 1653464.01 1658434.881 1375238.45 1092872.778 2628450.047 2448637.463 1895960.889 1886246.489 3543748.897 3035526.235 539703.932 690557.1444 896486.6725 1035757.596 1357449.168 1304457.845 1921648.695 1773181.322 1946340.668 1846476.622 1336646.481 1269639.706 2167418.191 2118685.986 3254523.312 2346593.025 1655437.612 1538341.524 1696358.679 1256386.237 904115.1056 673761.1716 2010870.642 2681751.701 4998717.333 4731750.534 3532281.282 2752314.511 3926858.677 3880090.652 4394719.848 3779095.479 1368540.765 1041621.541 4766886.071 4744121.702 4410923.871 4167437.681 1662069.928 1955741.476 5026260.197 4981159.986 2957977.731 2430326.6 86354.96953 24305.7189 64364.08384 63903.45174 51437.73919 51939.91464 44288.343 77944.28728 2975964.183 3095048.04 2805589.492 2640459.484 2478303.584 2314085.582 2379879.163 3577441.524
(2R,3S)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid 1856348.887 1857346.946 2610355.798 2595446.836 2547528.405 2441252.751 1932027.769 1551407.823 2709198.595 2073910.794 2879734.403 1842023.661 2518040.03 2357120.038 3109396.865 2651165.345 2425723.94 2503147.653 3030372.134 2905920.982 497017.6458 377361.7394 360031.4331 344102.1841 331462.2428 378070.5489 377869.4271 429210.9564 419179.362 303320.6171 425743.783 383590.8154 355329.9161 391749.6246 431806.1516 387709.5004 337191.7425 395509.9974 390170.5523 304193.3142 2370760.642 2282753.087 2606407.744 2290965.772 1935215.34 1726786.2 2358904.729 1978694.956 2375875.789 2339783.161 2340697.04 1884435.576 2313338.14 2056612.622 2112720.635 2008069.637 2121881.129 1907748.505 4770244.201 3797539.457 372910.7737 332924.405 479311.0182 502747.0972 363587.9142 345726.1268 420106.2863 326586.9357 381658.4375 343772.01 514659.7708 438665.3441 383185.7871 313545.6039 367720.3032 362287.4356 422234.9623 387023.687 342794.4346 308089.2339 178298.5304 367530.1022 315297.6706 306997.4886 301419.2747 280805.063 234666.0634 453402.6232 1789032.262 1457081.549 1457962.549 1112685.314 1241540.3 1266979.424 1189026.967 1971300.931
4-Deoxy-5-C-(3,5-di-sec-butyl-1-cyclopenten-1-yl)pentonic acid 169672.3719 127197.8499 311424.9939 267621.1349 829691.9102 1024072.135 415090.3538 269716.6313 236055.7838 200918.6338 3890923.738 1976827.531 1755314.871 1824409.873 689429.6113 576951.615 1079411.368 826773.5162 1265810.471 1166926.303 314952.6884 235020.0563 310847.3494 446711.7833 641633.8896 568039.3122 250975.0671 212678.5756 315703.7406 414715.5315 981160.4822 1021553.717 245256.277 361631.5065 1586941.573 1403917.394 991162.6396 1450149.292 4386594.483 4775852.483 584055.3658 541792.4119 617541.8965 754940.4038 207186.7073 212399.8159 140383.4936 106095.2459 116838.9431 197481.7267 1322004.928 1056243.508 815301.7958 803107.527 313289.3833 353265.3245 1508317.321 1369258.025 525523.5965 799982.5461 610599.6577 565940.963 266579.761 240540.4851 212073.1529 252052.1302 473424.5629 332305.6988 182942.8237 103693.2085 393610.2585 263997.1459 629859.414 615520.7162 1152144.487 1287489.365 592577.9543 211331.3448 512308.4355 439871.2608 75216.93808 30375.97777 29593.49619 34293.31794 43248.56533 38533.66386 46416.75624 89120.19299 1050684.415 898811.3182 717208.4979 568501.0183 543709.9395 1160491.25 473679.0713 1323813.316
p-menth-3-ene 265214.8085 335837.0356 246663.3561 271445.0639 260425.0038 262482.1678 199967.3227 208927.1284 226576.4455 212759.6822 331992.5745 256771.9492 292967.1155 243936.878 166904.1491 200160.2067 263105.4677 306471.1139 327932.0166 209155.0455 237131.8011 232417.74 285467.5395 287538.1964 249969.5493 200254.8002 210043.905 269056.2034 202516.1181 208257.1393 357411.1993 354848.3016 231417.8962 215124.3974 281799.9409 252735.6817 183441.8807 215931.0399 213737.461 196726.086 272256.0618 208885.1464 169112.9441 210483.988 257987.5542 236384.5523 192783.0043 247604.793 257229.448 233985.7445 179225.948 194978.1117 252260.38 212967.1273 248845.8856 299695.6941 212938.7277 242092.2284 5739517.386 376722.7239 301713.4583 297600.0248 224054.8517 271376.6744 295322.803 263013.1797 336451.0781 259023.8186 195074.9725 222319.3429 269096.2627 393466.5219 342356.1299 351635.9176 273706.2327 254740.4029 223843.8651 254298.7092 224746.7174 188883.0896 343954.6933 329324.2329 257916.1941 285801.3059 231204.4061 199065.5704 212629.901 432684.5642 327859.3071 331800.2033 219710.147 321700.9507 252225.6132 234439.8116 237853.7906 412249.2334
Tranexamic acid 98307.96493 277533.0615 201585.3319 256299.3278 4835929.129 3153980.643 220871.6494 230289.1582 265030.0839 274581.7628 232798.5401 235153.2109 765190.3596 1082415.379 156998.4452 450090.0231 186884.2333 212674.2556 223213.4676 191713.8211 235782.2246 103871.7135 66093.55324 381816.3538 50601.39559 219376.2192 973995.958 1205933.626 213463.8467 225703.8898 217918.9161 241838.6581 211009.0862 236556.8309 240222.715 233031.0853 327286.707 427299.9345 168592.4354 187478.2758 27972.39625 44058.91595 695738.6368 829985.7918 212466.6539 216572.9107 222308.4247 217645.6309 58727.89732 262313.6974 230515.3864 187226.7335 789877.367 740389.3509 267696.1369 243585.0043 227018.9434 214395.59 365415.8165 121809.5763 215271.4171 207507.5837 930806.3491 594272.5446 190507.5273 186793.6775 246987.647 219786.04 283317.9159 331884.8944 474585.488 462481.9271 252917.152 226954.0716 221088.4719 206080.0768 316301.626 355956.3653 377771.0486 545322.3146 73375.10314 19624.01642 479765.141 479850.8854 416304.5215 419292.3404 372913.4995 690462.9554 2083896.111 2107504.118 1955703.982 2127287.933 1966916.978 1888691.525 1616697.167 2458034.129
3,4-Dimethyl-5-pentyl-2-furanpropanoic acid 1910114.656 1916382.838 1829923.019 2097234.372 446181.4013 392814.375 2895861.465 1976458.091 737706.0983 625859.051 3233178.981 1756583.58 150257.4335 571433.8601 4560087.925 3620389.777 2640480.171 2795923.1 1182177.041 1197320.888 1780011.755 1542359.073 2107628.19 1795566.189 663609.4838 724199.79 299451.4023 290893.3533 2583629.322 1917722.757 3824870.967 4054279.343 1942089.159 2244914.402 434105.5418 446457.082 756949.1062 1172390.305 1750862.603 1869126.181 2384794.051 2625037.273 561198.7419 555014.6977 2703017.365 2447114.059 441045.2948 436627.1485 72443.08301 127636.8678 641035.9429 508184.3377 55716.46329 464486.8121 2023100.251 1717775.257 2874069.672 2547208.274 2926530.674 327602.1242 661940.1389 78567.41332 646199.5753 511220.3973 2174782.654 2356625.515 1741261.399 1809160.512 1145345.87 984089.5822 3389576.853 2901265.362 2556635.185 2023183.625 1357824.083 1285911.199 116837.2615 108187.4302 43768.86099 478611.8614 276857.76 288706.717 258520.6821 36660.38664 212130.4979 35300.50494 225910.3631 434750.0051 1442998.849 1283780.322 1137817.479 1029354.218 1146330.711 883278.7771 849301.7971 1886257.329
(2E)-2-Heptenoic acid 1574097.094 1882538.082 1637236.133 1658230.872 1554825.661 1623280.785 1797942.692 1378753.185 1658390.627 1278714.873 5202408.816 3217325.94 2132892.695 1922111.195 2552008.924 2464150.967 1648749.955 1662427.934 1795028.948 1559803.682 688015.1638 588603.843 1484866.466 1594450.618 695445.5815 602439.9782 436779.7351 390657.8131 1420373.634 1133232.386 654638.1601 621846.7105 832409.2624 789495.6367 394317.5116 423479.3573 3120853.256 3868761.289 623961.8903 535229.0812 2538593.131 2752421.571 1846749.515 1907170.819 1950707.592 1786155.241 1713590.584 1592904.584 1965037.731 1976210.658 1957019.264 1620855.662 1974625.674 1963768.07 3442046.44 3262430.467 1959589.871 1577464.035 3078801.098 3966863.572 571686.3567 503405.179 1990934.417 1489489.397 501965.2369 593322.6217 625817.6911 726168.8342 1009468.713 883685.9107 689755.6612 570985.9376 1451698.911 1479698.148 885130.9123 775744.4797 430154.867 539057.7284 1691766.404 1390226.452 466899.0288 290739.5589 135636.1948 127534.8351 446708.9009 125181.0231 71742.42536 675170.5355 914530.3866 963986.0744 1035309.66 946079.5466 978692.6687 866419.3884 769877.1104 1105231.585
Gingerdione 131655.0376 155262.1062 208886.7305 222048.0565 142699.1096 147934.1157 119848.394 119316.9634 233610.3001 192156.0105 342967.8391 41017.90133 178145.3427 38827.5341 110706.7951 184350.7775 236651.3951 251428.7127 290259.2578 291866.4952 249256.2842 44380.88809 249534.2977 242407.1122 150783.9519 50025.99773 164123.6378 144057.892 162751.9255 177533.3607 158952.7744 159091.9784 54861.40281 199672.45 4867715.472 4382882.61 104021.8448 308198.0058 121679.2972 110121.9498 268588.5497 286535.1902 104453.7651 219049.4684 94224.82802 156063.3577 149471.374 115570.5974 167139.4779 169105.7597 164179.3817 169515.2422 81744.5429 77345.67538 238128.8467 213092.1272 201903.014 164608.3515 1576914.196 375533.1768 94573.42726 82543.47136 61047.2545 197619.2681 158204.5823 167754.0958 176050.1761 144195.8798 200721.4614 171370.3189 240264.8949 217777.5819 48764.15624 45662.82618 155595.2403 157654.5641 133825.5632 106254.0464 164788.1114 164736.7191 171132.2358 123638.4122 151249.9325 92976.87024 93034.57892 33166.53763 78247.84387 197907.3171 250010.4972 259298.8214 192982.0561 175455.511 134826.119 114765.1721 200704.6859 257063.3461
Capryloylglycine 84038.89507 158969.3306 132372.5195 187632.1216 2010029.918 2386044.535 46272.43276 46955.61756 63507.02182 61266.76536 94470.92293 58215.09437 715250.5459 615970.5775 3248171.681 2813292.106 55149.10043 53748.57334 68510.0963 67252.54555 283915.7443 197917.0661 114080.5477 166498.8496 40981.223 34362.32057 1019404.103 963980.2207 249717.0978 191111.6938 222792.7452 224767.5518 102980.1675 92749.58534 50405.79097 56259.27807 702638.3048 960900.3913 131768.6252 118710.1765 51675.78448 40849.92001 663753.7647 570945.5418 45732.35427 51479.3021 49406.88611 52751.72546 51302.32845 53265.59309 55129.71917 53584.18064 1077678.328 968893.5471 52605.05342 70967.39525 91755.71709 218228.9966 276647.075 151006.3438 39089.33309 37895.11619 1431670.684 931535.4175 43711.832 48304.71739 52651.46723 47535.20552 1251150.309 1137960.872 1107548.096 955029.5449 135984.2084 140932.763 220794.0997 46409.86982 470026.0135 421528.1508 5570819.018 4300723.262 51376.67592 29380.68869 31459.5375 36074.23897 44527.18987 40495.20922 46247.65384 94751.68458 497991.1806 569357.7203 578418.2752 374993.9505 373745.106 388164.9209 374959.6361 791482.8334
Golotimod 1751110.319 1814494.376 1047315.243 1090412.624 1355447.389 1469974.156 1684994.797 1402676.977 1017697.353 942121.5387 3013611.391 1757464.28 1997337.931 2248720.956 1835743.382 1659411.145 2124339.522 2222851.214 1660969.924 1574199.314 2170192.515 1782310.784 2743489.371 2612701.756 2409050.522 2277391.99 1271981.503 1373609.34 1407850.707 1070913.655 1868258.483 1711594.464 2672027.53 2908119.852 1737124.512 1802090.396 1684045.018 1915007.578 1712486.957 1687857.939 1846115.352 1900274.738 1878490.196 2264288.556 1432745.362 1781689.982 1366797.864 1292092.667 1305871.474 1301767.83 2021333.542 1610738.468 1602196.917 1486189.921 1293965.147 1179847.62 1576231.834 1312430.078 3016549.916 3455982.922 4058465.768 3865481.418 2102044.421 1698000.227 2162570.054 2242047.437 1521522.494 1253803.145 2104355.844 1835161.627 2541574.974 2029414.146 2368440.567 2174236.751 2361483.06 2453320.996 2935482.534 3070134.816 1538989.97 1184901.011 50357.39222 14891.49428 14169.90861 13925.40297 15205.40318 15033.94555 15857.82891 25093.3397 2099107.561 2033991.257 1799531.294 1801657.175 1505724.114 1310967.419 1272922.335 3095614.109
Asarone 483016.1504 111330.6637 223732.6455 236434.0338 363300.2091 343278.8967 682269.1727 443331.0129 208851.5007 186302.3828 1034347.727 475497.1948 3929846.633 4031529.599 526016.2133 535684.622 3971086.375 4053354.062 245313.1487 224833.2631 72288.77106 62973.78666 511413.1232 486524.7449 801562.0186 704393.2015 371070.8428 388225.0932 153219.1738 143486.0516 198395.6252 221979.8843 2282333.846 2383034.606 190424.2131 159492.4523 884284.1238 950444.8857 436301.5187 136546.7319 489201.7742 440148.6924 812930.3697 729172.1508 968382.2824 973567.0749 333833.5518 107175.8035 146615.7965 148699.1673 146287.9949 155564.4815 906450.7574 834524.684 2479278.652 2036028.605 946773.0841 645097.6935 667201.7808 1826414.769 310285.4788 370873.2173 802870.1547 631116.8157 387391.8118 411813.7045 2064073.59 1808458.713 185824.0583 401098.4514 498323.9134 472078.0244 1358381.691 1378682.981 171853.9507 356993.3999 182302.5342 189385.305 436807.7245 266773.1605 205170.5589 220389.9637 174881.8459 222120.3496 197595.9785 196077.1232 203867.1131 471120.2209 712845.9968 646068.3895 495152.7473 451584.6976 491888.2097 451728.2039 467157.8082 957806.9506
Salidroside 2218526.26 2312386.868 2278942.292 2255934.735 1911248.472 2030272.013 2138803.844 1722262.718 1988558.125 1667037.571 3118955.07 1769187.572 2441688.844 2843836.101 2732473.359 2610700.843 2305044.799 2307222.748 2673171.319 2288698.278 1639976.383 1289712.793 1439965.501 1399887.937 1457797.38 1410066.534 1122780.408 1181904.769 1221087.302 954637.1007 1575195.292 1351564.085 1460411.645 1521116.71 1553077.861 1305887.049 868890.7099 1068992.787 1117956.929 1123966.587 2844733.219 2746146.375 2578498.139 2395146.767 2420353.88 2301569.94 2459119.319 2243934.421 2141877.438 2255806.086 2524562.107 2155225.48 2110804.177 2066904.381 1791571.51 1581430.832 2130726.372 1845938.045 5403573.339 4325444.746 1612921.671 1510640.336 1401068.025 985523.2874 1379867.032 1328522.812 1563775.715 1269200.05 1191486.168 974679.6091 1634127.32 1558692.617 1622765.379 1412326.377 1412703.45 1353182.698 1443103.385 1366155.225 1037055.458 949297.0652 215198.0896 198111.4815 180373.9751 166483.7148 149182.9868 114891.9004 142328.862 293643.3553 2041884.686 2236606.93 1990458.563 1723654.997 1615043.664 1463031.314 1337619.509 3000807.241
Testosterone 383792.6452 347538.5075 480924.9839 516511.0893 47710.60699 49392.50817 272721.7142 218320.7913 207462.7161 160107.8363 362989.71 169887.0242 104984.6463 92317.4755 573474.5938 501464.9288 198171.9481 226644.12 282432.9357 309940.8282 171544.4348 151882.395 69482.07756 90167.22821 188093.5699 188291.3012 213716.7623 199158.9713 748895.7485 632702.885 825259.9615 798428.3175 87823.97625 78700.79572 238082.4809 240480.9742 108911.0023 122934.1377 78879.51559 80708.87391 1025242.362 1014061.82 141789.4903 129280.0471 1200222.171 1400548.266 3271442.501 3187696.284 358349.6052 302986.1874 4409709.784 3342064.426 122513.3019 114974.2825 547803.7539 497193.2495 798295.9962 635067.6667 352677.8933 405545.0951 299212.9297 272819.0717 2181962.231 1688852.787 1122914.534 1123609.977 578466.1758 471614.5717 1810704.753 1635779.499 707796.7027 624776.9018 835742.9342 802662.0702 1335659.353 1262709.253 184219.9646 172700.0671 1513874.087 1041435.973 43406.76413 28360.95064 29511.37201 34382.48294 36247.15248 35393.3263 39069.70219 77424.90545 751864.6795 710655.3033 657439.7532 574569.5488 551585.2643 532125.3278 488249.1747 1033433.63
4-Vinylcyclohexene 2465188.838 2795446.494 2775994.274 3114207.28 3173501.512 3638068.488 2783318.184 2326564.441 3831240.816 3219299.492 3707788.302 2119277.811 3462724.372 4255118.383 4688398.726 4152649.791 3729362.081 4415744.871 3939252.9 3771488.129 832914.595 728097.6401 752037.5555 771208.1771 929390.3669 879921.8761 748990.0599 791132.8775 776274.7506 536483.4133 777629.3926 733236.5979 768989.7021 803510.0453 756531.2742 696038.4778 542355.047 688239.2981 611349.9567 616066.2142 4866343.61 4403495.016 3078533.174 3068850.928 2416202.262 2878561.156 2753348.581 2667419.607 2675404.993 2466267.751 3401614.822 2447705.454 3200638.304 3612397.338 2140119.108 1927927.968 2088922.085 1848512.468 1792614.203 2229884.229 1052873.2 901981.8714 1312555.964 775193.8932 1039107.238 835597.159 926054.7455 889190.5562 615034.9509 430400.4651 846847.2985 895733.6935 659714.6215 585413.5912 707753.1605 637204.7672 839950.0131 893789.7491 692948.8209 573355.8145 330947.0763 1056859.203 983151.1964 1105237.444 965584.2239 819149.4806 886123.9414 989201.4252 3429792.354 2698400.533 3193370.889 3607409.857 3281781.038 3196158.369 3065436.787 3218086.743
Pseudomonas quinolone signal 1382912.883 1299475.488 1528804.849 1350118.549 1274283.825 1190498.482 1078513.375 964285.3718 2192778.419 1788773.631 2863631.99 2059186.268 1952258.798 2012793.039 2814923.384 2477805.095 1277931.916 1324148.205 1260364.25 1295597.761 2568911.896 1908896.74 975795.0665 1022701.78 1238056.912 1350714.894 864848.0485 890600.3427 1239252.033 1098922.605 3763705.153 3545614.403 1686558.577 1482270.219 1285952.809 1164263.69 1078329.75 1456073.517 727050.7937 824248.1571 1489869.073 1344899.586 1482549.825 1340035.586 1467531.805 1216946.825 1085277.103 1088128.578 1163788.502 1139857.959 1377113.791 1248190.968 909330.3865 830006.6592 1301632.676 1172529.28 1183143.429 1162141.448 4283980.136 3434279.664 1284727.67 1088827.981 1923960.1 1505333.502 1243900.608 1341878.88 1886639.829 2020764.699 1399321.965 1107899.642 2180812.207 1872470.424 2491797.893 2352774.311 1191149.716 1123741.61 993471.2195 972573.5579 1286355.699 1009256.986 39677.55941 51943.52071 51910.59169 62074.74354 66891.56055 62831.02145 78543.7382 132364.5763 254470.7679 194695.1167 148769.6133 98937.09054 115217.7673 108035.0278 155048.2623 351220.3032
(1R,4aS)-7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid 43683.92553 42255.81884 50405.67893 47046.21955 60163.49542 56065.54777 37417.39396 36999.81389 49158.42117 47690.23009 112473.0284 84474.05388 56758.84865 56993.66905 71878.58836 58318.04732 58087.49049 54506.52913 72521.75002 68751.23053 57547.04971 54819.61175 35894.07274 33752.66468 67052.21914 38957.18101 46173.92926 52591.2888 51957.3387 46530.88988 44763.35348 52380.82911 36141.08063 35847.06717 3956199.587 4457524.498 44366.5023 47744.21613 58750.01473 58919.24903 45409.59198 60706.72739 107048.2115 82842.3526 40003.92647 51357.23675 56312.92309 43439.64765 46455.46459 46014.04705 59585.90441 65600.62705 46358.11766 45439.71699 64024.68889 49803.2684 88077.82525 57277.7367 294392.2731 288705.8774 94839.02171 143278.5953 52614.93052 47575.11878 44840.68552 41702.01677 52611.73557 51093.48701 59247.23301 51873.7756 64884.02749 72927.07617 45605.63242 47373.92586 51754.04576 52246.95539 115784.709 102364.0297 55232.83023 48121.12032 42404.55201 28918.25474 32388.78545 31342.1395 36179.86168 30130.44517 35506.323 66561.13529 229759.7342 256711.7522 238771.3493 188802.0869 210761.4599 196301.5296 179407.7268 306821.8591
N-pentylpantothenamide 21538.78274 30692.10876 23242.52153 23419.92107 2820399.08 2866999.45 21975.58262 21900.15043 24009.38303 30413.13603 45490.95913 25953.34937 4052436.717 4116298.803 1530799.066 1498564.891 21973.08785 22847.19434 21746.40118 32987.03736 144758.4199 116403.1438 205066.542 201165.8211 38054.36112 38965.98178 1276026.284 1286442.031 38482.62047 20532.17875 65815.31887 50588.47193 353165.9892 370484.8426 20931.62551 23075.70173 1226897.892 1645925.744 29292.03215 32689.57793 31334.37319 33189.86068 2388511.436 2501175.171 21009.78888 21757.72979 37445.79006 21798.83415 21326.06979 21212.60813 23033.80899 21630.08029 1497197.97 1427539.209 23750.6654 23549.38901 26779.75535 30304.47582 80625.74602 45362.06487 26398.53333 27461.97446 3123463.99 2398281.475 22968.92571 21985.57576 32964.46022 38163.7421 239219.5142 197432.2488 1312928.76 1119842.079 1155570.598 971226.6408 52750.77613 32519.32632 699562.3125 754437.6524 1860981.749 1667637.082 56394.3327 16076.80907 14333.92726 14105.81292 14433.37979 15024.81859 15542.01538 26809.84656 592208.9213 580880.1383 518134.5414 547923.0188 419989.9221 387822.0799 375791.2555 852600.1181
ON1225000 456013.5739 475343.1273 479948.4207 421779.4592 499204.0588 558622.9533 382298.8857 338599.0338 494405.2381 448095.0073 3809005.378 2104707.884 471256.7698 550783.3012 1187817.853 1213404.655 358554.0184 361185.9002 387782.1818 416643.7651 348493.0568 336779.3315 1127835.991 1144672.06 347731.7717 317652.1186 247484.6247 210083.1462 1332003.845 1181622.678 332686.2843 248220.2962 521314.9203 513462.8678 84831.90088 71661.56762 4186366.069 4702897.477 366475.4969 417194.4612 1626088.192 1390346.15 753196.4427 789475.8643 602687.5008 596060.7906 658420.4303 641376.0858 889385.5526 907071.2152 453751.0692 353535.4202 597743.2968 560360.1854 2749460.23 2396519.303 804715.1552 724260.9702 2384916.496 2909248.688 184655.394 160378.5373 1891197.57 1293278.602 214923.7422 184373.6038 544853.2157 550478.5737 1032403.12 971579.025 228281.3167 249529.0952 1393828.939 1315236.759 532732.3829 592263.3276 3501873.469 3891780.518 2365167.786 1941700.606 70764.32961 64814.65207 334716.3309 33608.83548 16935.4887 292570.6969 57897.46895 459143.9269 539690.2758 503416.014 343432.6958 373944.5548 336767.2783 366445.436 419354.4309 594622.1277
Monoethyl phthalate 136452.9542 172758.0514 165044.02 226002.6425 143854.1667 169368.3904 4704883.195 4076579.784 145324.6453 184100.513 420586.0829 305591.8748 356235.1145 321623.883 272783.5446 334499.2686 288475.6974 343987.971 282699.1986 256230.38 184338.2086 110281.9427 1318942.265 1383630.513 252951.5137 159942.7332 162642.7175 168198.1274 189252.9042 140428.2041 337645.8461 307354.2377 226072.1504 233247.5292 218599.6212 226509.0761 243365.8687 362598.4997 288270.0632 304071.5538 292911.8705 239375.2962 189820.5514 147731.191 214873.202 197296.5775 139428.6866 142997.7606 152487.0088 120483.6615 260221.2977 284202.9838 225347.9091 235070.9037 398401.383 185299.501 202836.1593 181428.5945 473062.6702 301560.0469 243244.4613 281342.7269 187841.5197 141236.6677 625688.1974 203512.0051 303436.5685 335768.497 166770.0558 155583.1089 333150.2567 423598.6871 350541.9183 278467.7986 300814.9282 294423.9801 243492.8807 212628.8567 234195.8262 219260.0069 94465.15595 123722.7698 134510.6478 78693.66084 109185.2362 72914.01455 59434.27039 119539.3979 220352.2227 378784.0321 404722.2933 387965.4252 321075.0516 305597.1797 306948.353 472251.6408
(2S,8R)-2-Amino-8-hydroxydecanoic acid 272666.5043 274895.8728 211051.8858 238191.6541 2928535.208 2823965.189 275697.2536 174704.1402 92363.19881 97722.38165 338184.1705 264169.456 1725922.735 1835051.924 2074868.385 1984327.267 175391.1251 172687.9125 98704.52323 105135.5825 1583668.862 1385271.937 1824325.986 2206501.956 106010.8319 122179.3712 1377766.854 1371720.769 801749.8894 671980.5181 603049.6151 484709.1486 996519.2405 1020826.837 100735.7547 104546.7834 1142792.369 1392138.432 291054.2134 273834.1768 167254.0754 253803.086 1368794.701 1275934.777 76639.35333 85523.87129 95502.86844 82793.46118 100770.3404 88675.28465 112645.4416 88740.47331 1034864.769 1002270.85 91251.62644 89834.09527 317664.6944 280009.6995 243701.6984 148978.9792 146497.9371 120313.4622 1889352.466 1473044.714 109961.2963 104622.9259 118794.2202 98650.57747 1271258.824 1160394.791 1289096.699 1086080.653 1005441.027 888266.6972 474359.1629 471285.6297 1232495.74 1244732.892 4640234.035 4166153.459 62633.76265 37302.37233 14455.7318 18347.93207 13481.79108 22914.08097 21759.20916 38189.76711 751438.3253 658965.4007 651592.3999 540220.5885 586917.0936 498339.341 487994.8802 930000.1358
2-(3-Phenylpropyl)tetrahydrofuran 1109171.828 1119286.374 1489581.371 1575768.733 1162848.043 1337932.63 1255817.192 1106792.942 1663351.499 1490176.519 2033125.873 1123429.267 1296717.26 1211394.357 1784159.846 1548884.98 1353192.702 1418473.067 1435153.296 1647135.361 710533.8566 665450.7902 635830.2095 547261.8548 594493.1991 592019.4928 463168.4589 463320.5736 534255.5717 487537.3903 734984.7979 768322.6637 610511.7444 563248.8589 525971.0193 568362.5514 543617.1759 605415.6695 538513.5693 507819.2103 1429183.06 1578357.568 1029401.944 1033524.112 1085754.864 1121148.4 1182261.663 1085510.38 1243201.723 1296581.712 1438557.037 1251616.33 1059477.176 950485.6438 1176407.296 1120211.353 1417912.66 1264963.832 5244679.562 2356982.12 631364.4221 651653.3948 615558.5169 502563.5132 624186.136 694606.3882 598839.6261 655584.7456 496599.8077 365430.1949 661938.6076 682135.7785 834547.8529 605836.2023 609208.2451 514210.2758 483996.1345 567261.0084 534380.4306 358006.6481 426228.1773 608916.3144 432051.5802 450925.4261 414910.252 400779.8463 419819.5302 728162.3023 1548927.001 1202915.013 1145833.244 1098119.092 904907.6232 1048867.7 1127001.657 1752405.967
3-[(1S)-2-Cyclohexen-1-yl]-L-alanine 2001762.497 1938618.942 2277515.064 2271890.653 1346890.417 1294422.685 1275489.91 942544.2614 2331044.296 2077237.881 5035707.417 2573514.338 1688296.409 1538108.701 4075697.308 3546839.156 2594363.36 2602966.971 3123209.24 2894960.92 360904.0115 285684.2601 49940.36135 79505.16997 113344.7813 175976.0954 138186.9283 153016.745 221887.5982 197763.7736 430427.5659 411924.6867 78479.14731 54787.77232 86048.84796 95503.27553 65693.90462 104971.784 204867.6567 211866.9631 2493129.616 2510809.112 1155129.711 1068090.369 1140863.568 1176311.876 1889255.35 1747884.147 2080841.648 2105874.798 4015149.906 2924727.471 986063.9976 721970.0201 1714660.946 1386626.8 1814156.824 1419956.742 2510863.567 3164135.133 141112.273 119732.5759 179220.1402 217661.7724 330730.7387 384492.894 402785.3451 397105.5543 222108.6815 204986.5026 438149.8003 375287.3553 230178.3696 266926.1501 354396.1254 331564.019 232558.9448 263370.6926 146009.6841 182153.6411 122611.5223 71231.68293 38733.92212 36393.57918 35740.69683 25800.79393 24764.28314 124470.8989 1157130.734 1340572.287 1433931.518 1323030.318 1207536.49 1058234.065 940119.1756 1543987.725
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid 722192.1113 699796.97 644329.9238 678430.4099 451700.9295 869725.8851 1081846.361 1017319.26 1119210.833 1027449.069 964022.1106 631159.5294 660341.9701 680163.7795 1230780.216 1273527.906 1420127.4 1573132.724 1821131.139 1885755.351 952577.3286 757412.1603 1089091.048 1168730.188 890240.3151 986510.3062 2072775.879 2040639.218 1777569.06 2684897.214 2247100.714 2227560.484 1421180.891 1500391.381 2865832.453 3006913.075 712854.9041 839737.4729 1060878.885 950128.0352 843198.9435 703845.3148 654938.6715 742508.3576 775554.608 1073000.851 1107518.233 1081204.337 859603.5576 967926.156 2100020.804 1823498.783 605645.7413 559167.4349 1356134.48 1190498.158 1410951.946 1252111.208 2217523.252 2205261.726 1921837.293 1902706.207 4002172.01 3266694.115 3099315.525 3017435.402 2099007.32 1611986.453 2064844.052 1786747.68 2955607.71 2645140.401 3448466.405 3074412.781 2183131.524 2129451.604 2173724.886 2070707.49 3842333.733 3041370.977 71294.20502 54275.17604 53795.95357 60687.36966 54389.53994 51441.22568 46397.07158 87162.89335 1825813.255 1448089.747 1733594.058 1644107.643 1352852.197 1251473.447 1216649.206 2332868.807
(R)-4''-methoxydalbergione 195859.5966 197291.5094 219222.9642 227651.9349 153459.6846 145727.7557 191440.4989 68403.45579 238136.7107 198785.7831 3488903.767 1787978.508 186697.9369 177472.3203 224043.5137 217983.3064 207513.1278 203098.0127 170867.8144 131098.257 423904.2258 388021.7266 435842.5817 404734.5612 611898.5994 715291.0581 319155.2321 336376.5263 336123.5693 325153.983 410170.6754 372139.7922 339845.2805 294540.6229 373144.5583 328330.8469 234153.2733 265232.1311 279537.7732 318631.3023 268731.336 278655.2547 220837.5978 165652.2917 292561.7458 233860.9148 435231.5466 412617.7301 198244.321 158215.3746 263929.8764 154885.3193 185434.5049 168468.2032 215706.2346 183738.2782 279598.6435 186171.4499 345398.7395 400945.6192 532513.7763 470747.1183 356132.2057 250371.148 254547.1036 209871.1867 435150.9591 1137310.777 279480.5812 229073.5947 301344.5745 261430.4355 438853.8203 326480.501 603019.697 585263.1772 357024.1883 338711.647 374023.8107 305450.9144 63175.3967 73127.90059 50317.04652 25940.98476 34986.66451 33972.27833 37809.05345 76773.95602 321850.8184 269101.0073 284297.6731 221342.9364 191478.0087 219953.1981 193081.9988 460336.2095
8-Hydroxyquinoline 1313631.056 1326652.634 736496.0632 691457.1321 484793.053 463736.9579 744269.5793 584626.3967 816405.5798 608240.4374 492664.9568 195871.7812 280111.547 335454.0533 424490.9953 362682.8645 406482.1085 399025.5319 626652.1801 587240.5183 686327.1518 564765.2762 458499.4039 421329.5297 1138950.451 1092413.869 1221973.835 1302262.459 762731.9851 685572.6076 243276.712 256278.3291 482191.1307 508317.4672 767649.9918 721813.5301 1375436.844 1785631.566 587843.1996 580770.1464 506831.192 535942.9776 891778.8031 875709.5507 1247601.064 1315256.451 1134288.355 986862.9983 885415.74 835398.679 771408.5117 756808.9828 767701.3758 739962.7168 500313.1312 437890.1527 389634.2064 393931.8851 470843.782 766645.5611 487057.5515 617578.6032 2150290.159 1666096.104 1423227.948 1228039.279 988295.4316 796304.1425 1719112.608 1531225.619 446143.3081 374864.7413 541119.5307 561945.7022 878642.3446 892761.2061 1256347.081 1159119.803 4075660.759 3661898.135 108684.2869 133171.7424 26149.30914 70175.33769 13956.88162 88747.88259 11128.36055 15182.48925 292614.2022 174077.0708 142421.1783 157153.8033 180469 127191.6895 121527.6762 188700.3343
Vanillin 3286787.42 3626762.864 2365977.56 2697310.403 2736561.892 2830117.919 3218014.718 2641358.859 2353790.593 2043126.602 4249923.365 2761102.947 3023786.133 3670442.884 3208527.747 3971826.716 3318684.069 3059472.247 2064891.213 2183461.684 3162335.063 2706031.964 2438423.822 2582918.397 3084792.964 3001601.263 2828516.336 3857733.392 3504209.463 2845193.797 2875597.14 3056727.793 2864214.687 3337346.261 3651461.201 3589459.713 2485833.51 2674907.701 3487488.297 4017425.288 2900823.369 4427520.045 2568876.382 2982469.637 2679543.745 3007656.352 2788155.28 2754484.584 2993277.953 2980469.61 2681784.049 2255384.263 2772418.578 2874171.555 4108897.069 3603678.289 3019020.01 2790943.15 4241332.947 4273865.251 3068482.494 3234376.568 2971288.885 3440003.217 2921035.903 3096674.666 4030528.122 3882904.227 2598232.819 2371170.095 3049743.451 4012409.254 3171237.435 3534715.752 2853640.862 2906870.165 1914698.35 2297248.986 2397317.367 2462213.441 63264.88273 234144.5236 572335.7755 554663.8035 504820.3287 533198.099 518990.5629 862868.0467 2068558.844 1890520.927 1858241.824 1642954.478 1629731.724 1614346.417 1441873.461 2440801.9
4-Phenylbutyric acid 308532.5568 269918.8239 570501.4918 559327.5996 426895.804 496654.8325 1159810.392 838073.2617 1039685.998 667204.3124 384869.6201 169932.6447 958066.2154 1043864.521 1058184.72 957571.4137 1644748.61 1792610.506 1758252.219 1736005.887 382738.0124 433175.9973 2948660.333 2559277.956 757791.1504 714388.761 475495.1632 536798.7486 734682.7589 609263.8852 1078766.846 738466.631 2915269.656 2868975.537 993929.9252 885863.0929 629083.3543 807866.8128 704823.5226 734966.4044 403099.0342 351730.2957 1452322.391 1399332.972 776143.9579 807950.6377 929903.3723 801919.1525 1016657.455 955290.4588 1742116.852 1178453.021 740142.339 726561.1892 785346.3028 687220.7446 444338.5617 362511.3594 4529417.739 3457940.344 4049263.182 3853186.776 2330342.703 1437296.48 2539033.487 2425389.293 158990.9764 124940.9499 164812.4177 94505.01444 269603.8938 169350.2914 3113775.362 2473823.634 209790.7987 117429.0888 4020974.513 4067999.37 1817166.536 1383439.338 203280.8073 181714.1385 162004.7825 145549.9842 149668.1744 145050.3529 129775.7213 248623.1067 1292118.626 1241681.404 1085150.811 996002.5299 966366.1647 1093520.194 919459.6823 1518781.454
Ethyl 2,4-dioxohexanoate 2607982.278 2522573.132 2827877.992 2509838.873 2256374.713 2400773.527 2711763.971 2297645.28 2692107.214 2188844.238 3982144.899 2116550.91 3048163.331 3103567.557 3081606.969 2769673.367 2721974.575 2912511.576 2730422.052 2590214.374 550028.9897 407300.3227 486921.0824 445095.5928 522956.6443 496835.1313 344927.437 373022.915 486325.8365 374381.6966 500841.0926 493742.8136 483969.3473 486768.5855 495065.433 465302.6857 340153.5954 491086.1184 419073.1986 440241.408 3212313.654 3017074.036 2523780.608 2700189.581 2463601.735 2557252.419 2486930.903 2482036.247 2506364.239 2475291.568 3100703.836 2356718.27 2525638.39 2341991.712 2252164.424 1978157.127 2604475.242 2288882.403 3629948.928 4067282.13 556737.2527 527088.212 451223.0562 348145.3791 452385.09 409034.922 445846.04 409698.0012 408375.3521 317833.3692 511796.9005 438165.9025 538279.0328 479355.4339 378366.6496 396172.6543 483698.6679 421315.256 403913.5696 320774.53 157070.8512 363548.6196 348883.6378 293827.8481 278119.9286 247699.9918 256585.2505 479674.9757 1663710.893 1527239.067 1431188.823 1502530.946 1275687.108 1283762.305 1231668.762 1985775.922
Dimethyl octanediimidate 60860.37609 62529.52559 67531.27939 63557.20888 3955160.941 4128533.595 14667.31226 14390.4039 44769.45655 29049.84009 66313.15747 31129.11517 1900680.515 2001496.381 920980.9698 867629.7162 38933.02219 16449.27315 20277.01169 23375.62679 89852.29469 84436.98113 40223.47134 35740.52448 29173.50126 34752.93643 1391433.618 1375514.675 24476.49015 13428.27843 24821.41713 23582.22496 58710.87723 27753.7296 27263.47905 38948.82109 753424.2987 942439.3142 20102.41121 23365.21443 24960.6089 21846.74809 1163202.959 1283191.746 43371.49453 50202.3137 15235.42096 14990.95297 27486.01206 28817.49617 19884.89998 34637.03657 1406940.676 1223422.044 90025.87771 56717.54557 35943.15579 18415.07223 92025.6415 29339.18986 102354.9481 161212.1723 2447097.493 1903205.011 48549.9862 36571.28356 46564.08971 21393.97156 103929.4491 77526.43357 403268.2984 365667.2695 50993.1359 30722.55463 48948.06279 22925.59878 185228.5184 142749.6584 627255.2508 550426.9283 65716.39168 16809.85519 15163.50745 13525.48639 13801.33131 12197.69082 11573.49004 16269.20612 345860.7969 358198.7155 321773.3953 290063.755 289500.5449 250683.1181 243249.3002 435099.4785
Cyclo(phenylalanyl-prolyl) 1628647.49 1544372.936 715461.8813 773091.636 1042502.52 1175502.307 1769419.246 1539947.712 520277.6444 472056.3458 2560926.133 1571281.027 1398148.482 1673279.22 1239740.078 1202422.633 2296259.676 2350380.456 691579.1282 685206.6018 3275647.049 2767986.706 3485495.253 3263199.821 1301846.271 1207562.365 897716.4314 932899.9629 1032991.586 871470.0752 1673947.344 1485714.654 3383180.362 3735505.755 1270720.579 1225253.129 785300.0674 990794.1563 2851569.967 2939300.549 1674224.061 1684047.795 1841376.109 2069614.051 1642647.366 1770911.301 800860.9397 703496.9768 776578.0746 845449.3328 947711.4842 830156.3193 1404332.414 1352729.928 1322890.83 1152932.03 1475609.324 1265872.121 1262896.752 1927395.426 3864869.259 3733368.795 1495201.888 1076636.288 3141770.487 2879545.87 1381605.708 1308021.933 2999012.815 2493755.003 2329345.192 2230351.821 3273557.855 2860302.909 3022741.41 3065609.13 2487818.162 2846993.327 905050.2276 693500.7428 48207.76549 17880.40418 62553.73198 49532.53458 69001.95424 68510.13398 56393.94462 103501.5299 1882413.557 1885093.921 1562175.179 1604501.122 1381686.959 1296701.957 1291365.087 2519028.035
4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid 112416.0194 116541.6284 94998.47829 146708.4702 65278.50035 69621.06567 124838.4116 48112.30236 87198.44571 125235.965 1071025.173 593242.7666 600897.506 696009.0022 3999914.496 3467652.38 954714.2305 915242.8015 1049139.539 1008482.116 484184.0693 373787.4039 149209.7948 152951.6099 98278.83697 107417.248 171754.3881 142122.4354 144358.2104 140983.7758 3656416.706 3549296.651 404489.7975 336929.3711 1757395.167 1536903.421 542790.4887 732784.6446 1287535.074 1281774.993 139950.1416 71341.06065 69218.9143 99588.22218 97180.52579 107443.624 51317.8482 94744.85984 123418.9886 70364.14225 435734.4715 329747.4353 300911.7636 335505.2718 291963.1065 246088.6508 527459.7535 400247.8466 3507993.829 3075103.979 189533.4161 352366.7053 113857.4579 111037.6353 125342.4085 75846.17578 230286.9235 105060.3765 137179.9999 111203.0208 1559668.402 1376192.914 286070.7631 282417.1858 675855.98 681005.8227 439025.6594 509969.7183 577970.6247 390083.304 63195.25774 37116.10837 51671.51581 36604.48056 41862.77621 31392.00481 37086.76658 67238.80635 1118331.771 924112.1844 865468.677 837844.5722 777652.3813 729675.3263 687233.1601 1349656.737
11-Nor-9-carboxy-thc 338304.4203 301909.2622 100823.0571 88508.29504 43792.76348 56819.90821 128873.9268 37219.62564 48743.92854 51681.94966 612291.4109 333189.9092 432100.9109 62754.79105 187135.5638 177317.7954 76389.64668 56061.57339 67745.76286 73335.63507 3600101.739 2946076.954 473119.7667 420992.2862 43240.7723 54032.45195 43770.40267 68650.15226 90959.49134 74834.85966 210449.4973 160417.6849 728071.601 484420.5894 104085.7444 99146.22929 39790.71477 48927.72635 2648898.155 2694253.28 399753.6726 411730.7647 55553.61008 56297.60199 66605.60231 59949.24016 177377.581 48890.30713 84543.03249 96440.74251 47226.45435 48656.59104 62529.14057 43615.1426 72185.08614 48605.01116 358207.9299 314405.6833 445425.1476 284471.3747 1589134.576 1619314.179 43784.20586 39135.67448 1464256.712 1554396.795 366593.2838 295082.2403 38817.84467 54519.39454 606971.215 541787.7906 1792601.767 1725152.569 241242.6097 43889.37419 1161902.021 1170785.958 40486.01361 37358.97237 43538.83414 31327.84289 29207.61407 32826.14526 35881.66125 32475.31966 35493.4625 71383.60639 480424.8172 401335.8925 360718.4461 341522.9277 314833.9533 261855.1503 245242.1893 670373.5947
N-Acetylimidoquinone 2079694.203 1521442.043 1685815.516 1733087.479 1567623.69 1506318.9 1283982.9 525644.6733 2153225.305 1339760.956 1052827.921 270775.4454 3060851.171 3259073.993 1961344.413 1174224.774 3216951.828 3625708.708 3357501.164 2492594.879 2367452.623 1853958.902 4244487.732 4456596.802 1143631.287 1110290.096 1547081.936 1839983.516 87586.7841 230227.8654 2208013.632 2234046.948 3562357.976 3773048.509 2648993.661 2398325.505 69086.16841 192441.3753 1058787.021 803934.9255 3646350.142 3376648.165 2102657.419 1901678.657 2431682.105 2013398.798 900262.9698 1376945.632 1790474.6 1768858.509 1719899.613 1306936.362 1840304.515 1734489.346 1667726.187 1967856.913 513702.3826 316653.1632 119137.5639 1065659.626 2789817.637 1494330.39 3060607.524 1595143.765 900504.2262 1200412.79 1129809.516 726141.8855 559668.4966 69743.46467 1718139.323 1246780.919 1211339.305 802289.3288 1189426.115 612555.5075 120500.0556 237379.1499 209070.2476 60605.14541 88053.21721 18202.55923 19106.82378 14801.92711 15041.8783 14791.40276 15635.08934 23151.84635 370422.5538 1321826.876 881824.2499 593105.3932 534990.9043 388307.1914 610735.1623 1038952.265
(6S)-2,6-Anhydro-6-[(1S)-2-isopropyl-5-methylcyclohexyl]-L-gulonic acid 391977.372 469026.4766 542475.3507 642033.1513 181168.1756 159247.6053 226273.7616 156724.8432 134106.4783 118779.8109 3462386.63 2020761.117 220498.8052 135857.949 380428.1201 311625.867 465593.1791 415292.9334 263049.7795 240774.633 360935.8632 299710.1721 535830.8769 534579.0865 335243.1931 336214.6995 323991.7407 380630.0537 340667.9111 233100.6944 425235.3034 347220.0145 518867.288 460584.2017 61674.18909 67316.95789 528054.1271 669611.1356 248292.8422 256532.4412 245678.1397 245819.639 168144.54 193579.1809 199030.6541 222596.861 334215.0522 251704.749 356542.6825 372231.4798 852994.9094 715600.7915 445287.4355 512545.6305 812111.0042 718756.2775 228203.8059 199140.0959 1090424.52 572044.0092 930071.0517 893405.952 274529.5181 211684.266 162310.8035 157015.6384 256667.7329 255452.6797 171773.0829 137392.2559 454371.1192 407019.2343 551753.5705 372286.1716 308764.7207 257478.3754 4009901.67 3829488.954 374432.4917 306383.7966 142693.6943 67429.23497 57468.2769 74625.25952 40517.03288 29857.29924 34266.74974 78385.16163 545524.5458 350571.0513 385645.0604 324471.6286 355423.906 276844.0222 262409.9773 653845.413
1794967 106433.8077 88414.40057 109559.9476 91699.80767 3017346.084 3524449.744 53905.3541 42677.39353 58096.92504 58945.32972 52727.7407 91785.10372 2409816.083 2342115.872 2230880.485 1989195.199 80857.85518 75792.84803 81140.55589 86026.57243 168090.4963 152066.7278 126083.3492 208075.6404 47875.35492 42985.64083 1541894.838 1541443.577 188500.0552 160551.6186 138592.5245 247685.0455 91217.06735 89963.24658 73113.92588 78379.23725 1276686.188 1766384.18 49841.34022 47794.85841 114507.3761 60507.86399 1721400.745 1705181.946 50227.08408 53982.98476 46100.07567 51469.03214 52379.00776 51508.14989 78549.32742 74959.01414 1426666.161 1302519.786 61771.37034 61190.36709 126135.4036 111456.8979 354371.0921 157097.7647 52909.72189 49945.34685 3581380.745 2615732.495 55056.09373 52976.51336 57171.58099 49697.18829 466098.6094 409598.453 1787153.17 1661535.616 149879.2846 128201.8981 111507.9817 107609.7082 452892.415 465564.803 2395583.509 1817709.313 39924.53943 37193.74934 73314.38304 53301.20877 38485.51793 45247.45686 39798.59594 77456.18341 691895.0546 607801.8231 549150.3359 510361.7065 471430.4492 435287.9393 411218.1069 948222.4293
{3-[(3,3-Dimethyl-2-oxiranyl)methyl]-4,6-dihydroxy-2-methoxyphenyl}acetic acid 2125840.859 1758843.31 2439113.338 1850468.566 2161086.215 2428962.555 3199938.912 2230409.636 2133767.67 1681833.067 2470101.178 973315.1102 2766350.993 2213547.19 3502495.054 2728702.481 2294284.345 2494564.786 1897282.02 2087782.208 721619.9746 536011.7366 880628.5447 734847.1248 589588.0271 799665.5644 716797.9151 644538.3506 778690.8953 494002.8559 616924.9789 645017.509 839711.5012 599909.2513 865234.8453 692704.4271 535472.5046 618166.3297 483572.5337 662239.5627 2605584.169 1815818.784 2527533.137 2281457.276 2846523.813 2563835.481 2231591.815 2479486.544 1809668.214 1664069.952 3333643.291 2229813.345 2381899.06 1878655.779 2062621.645 1497373.842 2912224.843 2156355.333 3927896.774 5003508.537 825385.3825 1181802.399 847255.4618 303467.0606 684580.8046 497704.4144 748145.4879 667372.4747 635407.5213 522624.6787 707189.7416 517814.5286 544587.5726 787664.8432 755674.3409 641601.4193 659573.7376 514182.4902 1127874.782 850471.4441 681534.8406 93260.86099 359594.6903 188352.9699 256462.6064 66737.43401 103612.2962 587111.1662 2371833.278 1582898.904 1703544.735 1396842.094 1417783.191 1290800.281 1355221.13 3003966.884
(8E)-10-Hydroxy-8-decenoic acid 467456.1582 459095.4567 400857.7978 453144.0924 2138212.456 2135551.316 589195.2937 456836.4313 375240.5149 417744.75 722355.2873 518056.7467 3472787.813 3695831.299 947729.0172 960974.2462 436025.4066 399416.2772 412088.0472 374318.06 325279.0367 303073.4181 375414.145 422514.5302 261669.2174 332239.0621 1635941.61 1572675.245 232441.9533 239839.4128 403883.4226 318386.7899 317151.8724 263269.1004 281086.5503 290410.8371 1265683.917 1486820.994 181111.131 191757.719 729739.3729 574567.5953 2232968.767 2133969.08 468270.4011 517856.8973 439481.5438 404482.3408 404650.9151 426582.6125 479623.5721 309806.1581 1399033.447 1350009.144 606518.0898 446028.0117 494727.1804 378923.3829 757705.1517 695019.0356 247470.9611 363976.4872 3526549.907 2611509.898 253417.3715 251727.1051 262027.7387 199326.9135 349078.9039 334307.4874 1785844.383 1557862.148 350641.5649 304238.6606 255701.7829 202122.3354 563401.3316 429834.695 756866.6355 651648.8413 134125.9139 206479.5421 212975.6142 188333.2978 170282.7015 152087.1368 179855.5975 295595.7566 774256.8966 779237.3188 690952.8174 538878.3518 533962.0284 524917.1605 631884.1917 958184.3392
3-(5-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)-1-phenyl-1-propanone 1590291.767 1497368.407 2065673.44 1883993.056 1985547.843 1975300.516 2201709.99 1685472.145 2037182.531 1628742.827 3062444.481 1519330.926 1975314.242 1595643.411 2469741.479 1744740.026 1854976.837 1905591.014 1727976.221 1674384.284 266583.3183 146093.5646 129531.8358 91505.39192 111264.9107 124822.8454 143057.4201 126077.6091 131831.312 138649.1382 178429.8695 180769.6188 148644.2873 127081.8032 140379.0072 93767.32985 111170.7368 148922.9756 179055.1505 196620.9055 1790713.179 1492362.727 1946246.509 1530848.681 1906962.193 1700564.519 1994202.694 1917722.646 1753222.458 1487113.841 2016497.188 1718513.61 1774004.595 1662591.89 1865014.114 1542049.749 2189723.795 1837375.066 4829453.568 4813986.015 124111.8162 126733.7459 121562.0958 88765.15188 137509.0795 142602.5741 130359.9786 112980.8395 138496.266 146165.7876 271344.7873 221110.7281 287020.6819 197877.0464 115328.1832 109259.9785 131207.4266 146612.3795 140886.6734 158052.3675 72230.28709 33234.61891 39529.47537 44211.39072 52938.77249 43501.65199 51813.79933 104607.3931 1522590.557 1184061.957 997801.5001 721408.313 729368.0682 866137.4065 803561.8237 2150077.052
3477 1363737.205 1422223.849 1617372.664 1468604.265 1528696.402 1509704.319 1430727.506 1204670.511 1324461.773 1104990.833 1332925.747 705460.3485 1376025.225 1392743.522 1855509.867 1884108.209 1487080.291 1594663.901 1757460.341 1729044.76 372051.5909 275714.183 274054.9357 287765.9249 265332.81 210254.2427 426799.8488 398891.8658 599064.0666 501324.2422 491852.9728 523002.8239 432824.4917 390537.7856 594872.4879 567153.0314 835526.1148 980363.7098 346557.1958 368893.3114 1458261.933 1251168.774 1550460.309 1638480.595 1399859.376 1463750.739 2029251.108 1904015.561 1707577.687 1626963.565 1843190.805 1411063.973 2612686.589 2359241.165 1720593.878 1488688.362 1772406.137 1451556.855 3372861.204 3298087.67 355199.5035 321208.4146 654870.5884 450227.9028 497767.8863 464530.8712 479017.7871 442753.8508 572692.885 538143.087 1061280.535 746864.5202 748094.958 727575.3322 631900.9293 583673.98 406707.5751 455208.8788 587033.6767 509084.3665 86224.5459 21929.82421 17663.28357 21061.10048 14812.74414 13730.1255 13456.61052 34607.42731 709050.3358 908990.8683 766299.3342 784476.9444 628571.0102 557245.8489 527430.919 1040937.818
7-Methyl-2,6,9,12-tetraoxahexadecane 186270.3608 305543.2355 188373.3092 267875.1321 238099.7019 164194.8207 170985.8549 184565.7591 204119.8627 199977.2647 341822.7618 404536.6168 308316.2781 368553.192 315478.6195 419018.924 251244.1063 318287.2059 230795.6047 288757.1245 368128.7899 476959.399 391684.339 663748.2322 310184.9575 368292.1927 173667.2001 213720.3641 155133.0202 204374.5622 423057.6688 471032.6604 276749.6675 330769.4934 256860.0296 336600.5047 178209.4855 151727.6329 157702.0884 210851.1899 333325.5166 452822.1175 239296.8922 332757.9859 217667.5875 311137.53 344572.4995 216659.8622 195436.5263 269569.5183 284284.8435 330041.8095 175009.9672 210910.0424 222862.0586 220247.5183 186253.3912 314567.5544 3578620.212 559591.6575 337390.4603 440641.5861 334159.7118 402836.9561 258064.3686 375711.0555 266949.706 489274.7925 188249.703 206352.186 353658.7745 418629.3925 376673.796 390525.2011 280968.4114 270817.7087 1404785.874 1419991.668 178345.962 241382.9799 315280.2398 313597.0699 390702.3724 310234.4464 291521.6607 348641.9071 348299.7072 631255.5726 578661.693 569670.6272 536686.2604 572348.5516 384872.7591 408816.6127 385448.1077 761379.1718
NP-019360 203326.9182 152956.6586 157850.1185 168063.3757 258945.5735 314984.9364 223938.5313 212686.551 210459.5336 152218.0978 2006815.621 1274361.053 211049.0963 236558.942 674875.0075 656784.3213 168408.895 205352.308 171766.0249 191584.3523 114453.9358 59596.00417 801601.8328 744969.8839 145644.1391 159138.9675 90413.12309 102410.7006 912035.9205 901827.6644 137633.1348 110189.7811 325490.394 305707.6183 262026.3584 288595.5742 2913562.203 4100202.312 264543.0179 216797.3728 680144.7278 597261.4509 521695.7559 514585.8113 292130.6247 288173.9674 297221.8514 198795.2679 553727.0989 587529.6972 192403.9459 166412.9023 346563.9869 313156.2662 2192379.401 1825180.166 577404.9409 504349.4743 2159570.591 2348291.202 305474.5819 315330.4569 1081617.822 805761.1034 64134.60718 46425.636 134565.7745 144582.9148 723660.2752 481318.7279 85424.85516 89178.81543 782543.5985 738844.6184 303368.1503 273056.1705 2680610.165 2366574.054 1780401.706 1425653.768 217190.2983 237356.6258 13731.43134 13953.87829 13929.26772 14407.4931 221214.3653 23364.20702 418054.189 236199.7127 188072.5373 170572.6221 218058.1485 172587.1409 162324.5778 259593.6226
2-phenyl-2,4,6,7-tetrahydrothiino[4,3-c]pyrazol-3-ol 504954.3569 635386.9615 342489.6051 644643.9015 1866823.107 1937874.436 731826.4175 284356.2849 378440.9882 235124.3303 342759.9052 365613.0248 3537659.418 3616257.332 1094768.33 1070053.487 307809.9228 372040.4292 427470.6838 484759.127 649508.8847 605605.5735 700071.2473 847025.5666 483829.9789 743271.0405 1478205.611 1524766.27 612634.9349 569101.3612 522511.9961 430293.0124 1856148.073 594351.4267 775782.3923 767669.0043 912072.673 489110.8172 439321.6563 547236.3501 444358.9218 841857.9017 2272837.25 2307801.37 335848.0866 451528.9775 935885.6636 395015.1928 451770.8262 515597.0485 932925.5674 873394.9709 1970267.729 1792370.801 341583.4695 349579.0779 286719.2943 241070.5144 3383701.471 671215.1534 770429.1554 726167.9045 1658378.245 1168065.863 516776.478 672585.6763 1012500.809 1054878.022 365234.0629 297463.1643 84145.24409 291199.7889 560416.4517 659849.3521 1356933.843 523874.5136 2376330.069 2399915.29 942764.9844 549707.0967 109566.7976 67544.55708 116074.6872 98865.02758 103081.9826 67927.81713 74339.84746 189939.1756 231512.3909 879838.6266 731537.9191 507634.9445 619358.895 515476.8467 474082.6307 587524.3012
3-Amino-2-naphthoic acid 417076.7189 504980.1402 299613.0623 385144.6291 1667122.27 1923181.913 2979577.66 2484822.036 1020975.479 910161.0745 899057.5434 409152.767 2955210.662 3248660.297 585867.8012 596127.6828 3094082.946 3428281.204 1270084.222 1404118.025 700799.4095 559053.975 2861547.293 2648778.883 2780843.777 2653459.136 1733880.61 1619730.162 484554.5688 355884.1437 749986.3677 677232.6554 2963925.463 2999588.843 2405510.924 2266487.184 2277028.425 2748044.491 892726.3627 986219.587 643928.7099 719543.3357 1550724.555 1536092.268 558202.5824 595756.3092 916444.3036 902283.9847 319751.2649 367528.1924 1254966.193 945410.4019 1446459.715 1352341.659 550859.8741 496978.9882 834190.9856 1277933.546 552429.4036 698702.556 965737.2736 956603.4158 1676311.227 1232202.67 568346.2583 527594.6649 477981.9748 478317.6899 959334.2239 978459.7429 786833.1104 627447.7811 620907.9017 550076.8888 1012499.586 1014539.876 976215.9896 1031047.491 1309080.061 983876.5498 41935.40593 17660.20425 18755.86516 25620.15897 31971.1441 28174.0427 29945.13548 70999.19107 1451325.025 1356779.252 1076888.562 1148846.159 963190.139 936800.8707 1001210.553 1919099.243
Pinocembrin 257113.8883 32166.66831 38856.09064 302347.4667 43812.38888 43380.0064 35780.89311 35052.80031 50980.66532 48811.38811 30287.18532 24403.20534 30478.94885 28863.33388 2053924.827 1724989.827 36964.1668 38112.5547 385220.9163 48090.99895 25917.25901 25040.02405 46328.3829 29048.77318 94012.89716 118015.9464 41966.30443 40690.0577 42142.43564 42825.42468 25854.05622 45246.9087 23214.3285 203776.7198 3343763.289 3109312.59 241426.7109 239719.5123 127307.8833 128963.5249 29254.6957 27209.6763 402604.5326 29322.49468 458707.7165 215171.0027 453050.8224 36271.63606 39243.17549 38734.6809 388071.4176 32434.45641 328351.0283 37213.08871 45332.82576 48450.35342 50311.63909 45938.71965 298645.3678 625034.6019 30358.62182 25718.0927 151986.9407 29392.55758 30400.63048 30771.63303 107556.3766 101756.8121 78835.68442 61070.18643 185131.3441 171520.8476 28306.98881 27972.76959 240438.6048 209742.794 77101.90384 83145.28707 47180.13784 333866.8174 31450.46728 52605.32562 46214.33477 27872.9787 33266.60599 53874.88845 37744.89719 145736.1032 128225.6247 113218.9893 88421.29661 106331.2522 91778.90852 111983.6552 66488.10193 175548.2324
Thiorphan 478168.439 478158.9431 400542.5113 390010.2424 195758.8025 152572.3036 225780.7309 191724.5535 179017.0824 167350.7353 407112.4471 280078.749 317713.8649 335219.5133 248312.441 202753.1602 281301.5397 264377.4677 283679.818 217000.2539 472235.2455 365061.3037 1359770.514 1319447.296 307120.8944 307478.066 3528333.683 3740134.541 184098.3904 212448.8957 211910.1625 167529.7679 1168384.039 1214977.714 1988783.788 2040332.769 92877.90454 101968.3465 187997.2814 217718.5011 602187.1953 600794.0427 380054.7965 444760.6537 1401550.328 1446593.118 339794.265 321233.5443 467659.8493 436646.7208 362804.0921 292889.9344 792004.6131 704576.1531 511376.0947 480567.1879 250212.52 199763.7176 251707.4625 368366.3235 736728.4559 747551.8761 1172668.207 843158.3452 521484.2657 572685.5395 502417.6637 446056.1709 548351.448 490604.1973 194148.5345 200528.2235 93292.97 69916.5418 149241.8771 137636.2966 222200.8145 211617.033 183473.5856 144150.7327 45382.20397 20502.46155 18301.0799 18121.64876 19274.60824 19011.09376 28185.98601 31137.62824 537679.7142 635099.6236 530839.6146 518927.135 474531.3446 430859.8017 377512.3149 767894.1873
4121 127929.4729 121674.3118 136025.933 122847.0027 2409758.334 2441975.527 57438.77793 49583.81885 67955.69467 53127.71147 133454.8456 80783.79911 2623957.996 2507366.387 2364877.604 2313784.75 69594.59229 78948.49481 66138.72673 69385.28823 299400.9809 257664.3569 365120.2532 334068.1737 71789.8871 64084.46589 1254832.57 1379595.811 198099.0093 202289.2932 296277.6955 240272.988 182417.8465 231973.2603 57154.475 52556.86945 1470901.444 1718111.155 72969.50874 63880.90108 105577.1838 101243.6726 2849772.45 2816791.882 38360.74588 52709.12061 50604.95198 47503.23923 23140.33594 16609.28082 40868.18912 49491.48064 1058316.852 948678.8274 33121.89956 27484.64884 109027.2671 103445.6403 154942.5678 53095.92295 35825.1562 53621.963 3916230.487 2907864.039 45205.04966 45006.11887 33703.10986 53378.27358 517788.7355 490086.3556 2463513.141 2126080.447 271001.382 234308.9707 189620.4658 174829.3175 282885.8809 289845.9068 1660896.259 1438917.981 60925.7457 65685.79234 53593.10238 14776.25772 26655.06139 20515.55935 22708.50188 48292.98796 736528.2655 862026.8805 814606.9904 755985.8176 617012.8734 627868.9965 603791.0564 982173.028
3,6,9-Trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl acetate 101232.5238 105302.9382 175697.9726 165023.1356 123581.539 128067.3695 106366.4448 94760.02571 216955.1359 217422.2786 163590.0575 36853.92365 119530.9431 93053.56673 85062.10112 128161.4577 203059.735 201957.8131 249744.0262 267581.3449 90951.71789 41071.51552 189724.2977 76024.4003 50354.88068 42527.49436 110321.2885 95434.21814 135327.8355 122191.3284 98215.51698 65293.02623 108133.6109 87831.98277 3527294.401 3270668.497 139916.5866 122460.1151 99727.28292 90979.41979 152230.657 133504.7474 131324.6166 115652.0506 108499.1988 119017.0606 82452.60006 70777.8613 124436.8483 136157.0028 124183.8192 128142.7525 102115.9213 83876.58281 243786.2357 201570.9028 163919.9309 165601.6742 564759.1216 295254.1465 75155.63273 88821.77944 83411.37068 151407.9991 68198.28002 70008.95501 107964.3105 96151.69202 174768.8244 156028.0775 61235.69552 109233.401 171583.4609 154469.2819 105222.9698 111169.1654 89673.69479 74548.20662 151813.0063 139668.4487 81379.59994 53257.5745 62056.76605 61884.50337 46088.91864 49111.71368 56109.13233 92458.57294 246170.2693 135641.0533 151986.6882 184659.858 162453.6962 149907.918 148265.5457 250428.3131
NP-018661 224513.247 241721.9916 285253.9004 323548.2812 1832861.471 1901018.843 325138.9445 219163.5991 187862.6831 149017.3818 513153.112 386603.8225 3491016.929 3439931.989 1300117.678 1287410.495 164114.8544 227043.7733 290585.3394 281891.8942 440154.4074 352736.6955 663296.3684 570657.9628 292506.0393 379974.4964 1374652.658 1423779.635 435460.1016 334582.5705 349783.4266 360903.3484 839728.4761 551781.4332 503209.5416 546974.6154 1098142.932 1315228.534 374942.2322 378258.9026 263926.7676 302216.4472 1686824.473 1671655.951 162502.061 269033.9929 341626.4516 187425.8372 223404.8884 198799.8331 397638.4988 419844.3832 1059532.293 1046905.171 205085.3045 239694.0994 250296.2362 329612.6644 280681.5551 555588.9642 418969.8579 359645.0919 3237585.945 2503061.497 190083.2832 227221.6064 379117.3281 444382.1283 325099.7379 301639.8083 1390433.977 1334738.425 1039262.129 995756.4475 450611.9415 294522.296 873799.3308 885243.5182 1697987.086 1497554.254 57667.91675 50772.77278 48023.1497 66710.64521 53726.87503 49080.81587 61760.13638 122787.3709 781856.8178 720191.8282 706508.4103 654865.8844 576544.573 545051.345 526092.3649 1003789.094
2S-Amino-tridecanoic acid 95655.2052 97375.37275 163308.7044 169992.3706 868734.6314 931990.7511 251018.0428 175840.8268 115165.0317 82595.34892 302737.8939 195321.5171 1104763.673 906578.2454 1801603.88 1632515.185 202632.6265 193076.2111 203408.2386 175206.3266 497129.1088 397568.0065 927888.3933 841287.6467 95268.35449 107233.927 807782.2601 822607.9231 100786.0626 76426.01765 314983.7075 253245.1824 1555354.982 1438129.23 356165.7004 344336.7443 433576.9097 543132.3995 330277.6053 316949.798 75776.5121 73720.90909 584844.6125 606318.0873 132166.1362 126410.5272 88963.96432 92262.9285 76107.65918 80069.62111 308709.053 216328.1559 943392.4069 854833.4691 171806.2548 125660.8845 108955.0935 108687.284 473867.8021 377937.876 320357.4896 338246.6404 776178.1888 542223.754 198817.3236 185009.6011 113668.9322 95956.03812 235999.2301 215013.272 845520.6704 725729.3779 3402536.436 3136669.291 247807.4671 196960.7557 728963.1112 685220.687 1683003.997 1313264.312 55471.52327 33912.72088 40441.10419 47740.78308 54965.36264 40535.66528 45238.3587 103406.1879 564469.7066 608169.0738 545828.7692 507868.3633 453534.5897 412265.42 385981.0187 792936.4244
2-(2-Hydroxy-2-propanyl)-4-methoxy-7-methyl-2,3,6,7-tetrahydro-9H-furo[3,2-h]isochromen-9-one 348101.6975 387235.8198 492416.2298 516922.5051 496836.2844 512688.5799 333189.4948 313874.2568 774941.8407 595200.571 3219317.014 2064477.989 1613069.081 1496877.136 3075683.199 2629167.149 2381204.872 2588651.762 614668.269 593685.0024 905096.3781 799115.7082 1768833.027 1724451.046 755509.8975 888945.4928 614803.8861 543213.6278 824871.7453 641007.0053 3053393.655 2741361.832 1947718.713 1862324.961 685970.8192 630010.6318 1268801.841 1571850.647 3799712.144 3847572.083 1750012.394 1736514.254 650297.8379 630063.8253 447844.2657 360401.613 774932.0646 696354.7011 576039.4059 635471.2058 696680.5784 513020.6713 844459.9887 787744.7001 2110544.337 2015360.669 1266757.389 1301271.203 1650885.659 3249574.232 596476.9371 662466.2041 989776.9612 778456.4325 175639.5429 207464.0965 675189.6269 628828.1211 1219467.472 491096.5079 918869.6553 712543.7448 3257567.423 1689720.062 1345166.943 1179640.021 611282.4065 715047.8435 1471232.294 1508417.922 38304.90021 44241.98239 30540.45839 31103.26565 140390.9491 28417.9359 31336.22163 65921.52102 1254941.656 1756140.299 1067403.256 1080389.658 1089767.642 912425.9863 873816.339 2010678.949
3305 1087320.635 953540.4069 1408758.188 1468023.048 716739.5878 938716.3035 1041050.389 720869.9015 1418514.97 1144814.421 2384898.248 1238959.3 1084511.196 1101946.769 2796621.11 2782676.46 1527228.374 1381517.385 2687170.818 2416125.404 679657.2151 521700.699 711151.8983 726435.2286 442745.0353 398951.5554 353402.3325 519882.4411 704361.5863 506585.9057 934614.5705 250523.9219 746832.317 563562.2984 492316.7497 363050.0281 807605.3254 980013.3055 421652.5988 423137.8174 1671676.212 1676748.198 663417.6655 663224.6973 1032058.001 1211329.777 1676222.629 1259512.697 1274752.34 1587881.537 1653571.049 1349325.947 1305014.369 1251083.927 1266936.219 1060897.691 1699518.895 1419814.292 2549724.179 2264373.866 410651.8965 487849.6422 593666.911 469524.6333 489762.1002 389428.5568 570608.4958 544834.4233 652101.8352 576886.5625 606267.0951 382371.8159 790626.9064 505811.4952 637581.4615 621187.4183 758528.4468 546440.2143 700578.7365 494702.2501 162568.2605 637055.9367 22372.55776 18624.71094 429723.3957 372675.7256 332189.5517 436804.9467 1089625.706 1450500.95 1785062.398 1718738.706 1449122.753 1380437.051 1347787.693 1525845.959
Pseudoconhydrine 579593.2791 652347.7462 803985.2987 956201.6861 2251819.087 2328280.857 577280.3771 544842.5974 660025.4537 693235.8881 867671.8805 711886.0024 868072.1057 885500.6724 1484817.281 1639786.235 584320.4669 569606.4611 519322.6598 508940.3737 947413.2849 1025695.106 797807.3524 696024.6996 603298.2847 626844.7271 1185867.281 1220966.36 564079.5548 589694.5431 524039.2322 677214.0269 938427.7921 963517.1154 582949.2792 639397.973 715141.3285 702414.38 546342.1167 571820.3567 667232.6804 653029.3203 916737.3866 1055551.54 460109.8242 535390.0445 585875.6042 566988.7788 614289.6443 687477.8689 670292.9177 565487.6674 1187468.266 1066788.168 615691.124 556874.2473 548194.522 553629.8426 878621.4312 1109263.476 589475.8551 717855.3919 1440282.269 1361268.825 572336.8834 591574.3464 738934.355 790033.4871 598946.8344 673167.6814 933186.8374 958980.7588 3570218.215 3560975.277 645991.0372 555459.8941 739063.567 954960.4423 2916109.389 1961681.922 778744.1987 691891.2474 673421.2538 737317.0436 543327.6568 543771.6992 589170.8168 739530.7351 1279272.047 1121147.308 1079324.26 1175146.64 976155.8934 1060330.863 953520.8462 1417082.171
2-[(3,3-Dimethyl-2-oxiranyl)methyl]-4-(3-methyl-2-buten-1-yl)-1,3,5-benzenetriol 45380.23742 154645.9471 49696.61563 232894.4878 3838329.671 3837067.243 164508.6566 133842.5836 180121.3592 172182.9502 44292.90798 233278.6324 1357781.353 1618858.663 894662.2495 812473.6426 162335.4363 162081.8072 66312.07743 157537.749 184244.906 193885.0204 34558.85484 173280.0804 126995.9872 34144.96662 1618069.489 1699808.231 52696.29867 177884.723 209574.4262 210334.1597 142966.4932 149052.1687 129592.2804 133894.9047 486437.0332 596216.7186 96172.70187 205858.9472 196099.4165 41179.96675 1285144.171 1131228.466 150081.7986 140346.0268 113479.8366 139965.5962 49193.93828 131597.5096 178362.1185 187507.0082 1782145.12 1502371.208 49314.37513 151683.0744 172956.0776 61346.00504 666214.3846 428054.7089 170410.7617 188650.5334 843376.3431 646463.8815 44485.24645 143320.9915 47537.21836 179047.5276 137582.1213 146250.2341 861365.0141 792362.8365 205744.6086 39816.06158 63976.18431 161456.8184 115391.324 121653.9941 278222.3264 171992.0953 39347.58846 128319.8655 117337.0876 112648.1786 120461.4579 119152.6588 109267.9776 85348.06397 387023.5766 313902.5328 232773.7065 173727.5466 305010.7459 220015.6683 191405.422 513432.3977
(1S)-1,5-Anhydro-1-benzyl-D-galactitol 139780.0401 113970.7458 164250.5437 272484.6106 172635.3358 157605.9103 186561.3614 130479.0107 173456.4227 164347.8238 210586.2387 228068.745 259775.3925 242314.6833 196305.466 173292.4192 181465.3281 137222.6154 203489.1631 255471.9816 256679.0499 250615.8152 154422.3315 172545.7493 143135.4898 151409.9998 195632.0712 190592.2056 99303.64185 93294.79098 280048.3359 263077.8434 171480.1439 175371.3826 169862.5355 223954.185 112204.3962 112817.1006 139459.2699 177069.181 222003.1134 209055.9006 180957.0623 168302.4156 132438.4484 128466.5179 108791.6961 114399.1621 89758.75931 137630.4161 179158.1365 151980.0916 166693.172 164762.5998 114801.2369 97812.24461 145602.0655 139869.7017 2918697.23 228209.6833 231564.5901 301723.3044 173716.9165 156974.9807 156550.2626 157831.0941 155472.6491 149901.0415 149079.7177 161684.0372 260194.9291 272701.1046 229585.3581 226625.9824 137199.3175 142543.1892 161168.1913 193595.8313 171470.2759 98210.14919 272383.1066 259411.3469 170696.5069 103275.1504 200613.4433 117695.6935 150116.8874 277533.7708 216951.2565 247417.4785 244789.31 161346.6953 193807.1835 202454.4558 131514.3587 291342.3253
(+)-Allopumiliotoxin 267A 150555.5163 131827.8751 71582.86574 91829.99247 325280.405 395613.5267 176623.4491 142256.028 30874.3206 28021.49241 108277.6178 81800.12023 947083.9254 674435.4633 319546.3102 239312.8439 43582.7029 44735.42955 42606.98527 47993.52896 460423.7101 298933.0171 262309.9666 206499.8494 667899.7209 500606.5724 518407.1177 318115.2773 165787.8487 119006.7034 134343.1263 92297.82716 245226.8568 272083.9383 75636.76817 88917.57242 265056.2856 325552.7327 38280.55494 31580.10989 54194.1653 51929.22387 450101.3716 604100.8596 37424.49393 46101.02325 64903.97264 30782.99449 88046.73251 108941.5216 40830.00487 45485.04526 352597.3329 317777.2613 101874.4208 95510.78169 34168.59947 39056.38145 146595.8801 56798.93854 2276144.278 1956952.117 2126555.875 1420041.597 415485.886 409237.3113 88394.41121 53684.29668 2849481.273 2470415.131 545801.3857 409906.0617 410292.1918 427527.2784 248491.9803 272296.1028 184778.4227 130582.5529 1448325.789 1137671.419 86908.76479 44194.35623 39193.04509 39894.83893 32211.83213 26174.46283 27005.63393 49966.33852 87401.53714 94952.32342 45440.88044 152801.4275 147811.2766 115665.1725 103276.8396 79182.72693
PENICILLIC ACID 150767.9383 92021.6796 112132.394 159110.5755 253042.5278 202447.716 213955.9746 136545.6592 191471.9663 160068.6564 1828649.535 1067655.09 151345.9567 116257.7243 676334.354 647646.3131 78591.98634 130862.5162 118997.8088 105843.6181 95481.91495 69112.85024 827399.8314 677649.5836 173235.996 156891.2691 95643.53933 98614.13412 987419.648 854536.6211 112495.3905 146992.2739 372608.2131 393215.6115 76428.96162 71324.23052 2973410.545 3792097.221 230117.0582 279229.3763 644336.8759 637779.0016 237896.1937 293801.2302 260557.2819 211358.7889 259420.9692 204516.5456 542831.0093 657434.4051 104464.2153 125165.7322 279478.7522 223827.3959 2142592.174 1835615.81 662230.9344 532241.3503 1666544.437 2220423.085 291329.6724 251474.7575 1124228.169 818243.8499 50553.65408 81169.8657 233901.5455 176244.771 668102.7228 522252.9942 400573.0983 107920.3558 817759.2399 772085.7118 330022.1671 372027.3428 1619565.269 1752002.366 1516445.254 1250667.587 243280.0899 275661.4944 261615.3747 251442.6068 256559.8929 256580.6922 16990.52005 26523.96859 359740.4524 157308.4255 169929.3062 113166.5654 142001.7752 119441.2735 149919.7401 173943.5359
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol 1310995.652 1222619.265 1302268.878 1242271.277 1037241.654 999855.7075 1275544.041 986135.5437 1303018.954 1053716.858 1750380.648 1157330.893 1890884.511 1213316.02 1249720.035 1184289.574 984124.9753 1024431.094 1035671.403 960531.1693 2873281.818 2511677.233 2773395.068 2664742.89 2497711.955 2519499.842 1826371.215 1907680.351 2144402.023 1722229.315 2537951.645 2345839.265 3224025.772 3116905.074 2502788.765 2409390.629 1567569.289 1865149.428 2456985.492 2530030.816 1282857.233 1131062.045 848397.2156 885000.6283 822113.1705 840910.7143 1662820.875 1277761.395 1387667.831 1297053.399 1121359.485 1164644.854 1310771.189 1179179.772 1105364.787 942540.7393 1778132.623 1465030.836 2558093.677 3019977.45 2698898.702 2964788.634 2559042.192 1945069.302 2103514.176 1892895.348 1945583.757 1770377.997 2741684.851 2415506.424 2983127.071 2932493.768 2263348.192 1938092.191 3215380.842 2784536.786 2397925.071 2389802.073 1855067.385 1433696.829 98024.04459 28380.13783 31453.00185 32454.37023 15290.50167 18960.71287 59945.24095 127520.1217 1466202.021 1893036.293 1833115.451 1545204.474 1444343.198 1298534.99 1194801.2 2197412.278
Aprobarbital 1201896.905 1180083.164 739919.0756 706058.9896 928968.6196 971801.0985 969064.6103 815292.6486 1175653.053 936686.8475 1665241.747 922883.1327 1543226.069 1558618.632 1383159.51 1232340.265 1388773.298 1312381.775 1671554.195 1630808.384 977705.2112 743423.674 1160765.901 1145769.449 1444560.592 1394277.254 867496.9849 853409.9569 905193.6217 774061.2203 917471.1342 942772.8828 1201115.493 1067325.484 1255900.173 1257212.835 937312.5557 1158245.643 789950.8251 711643.2875 1536153.774 1534764.797 1510093.508 1584297.391 1440332.841 1452116.901 1302067.347 1104540.847 1159812.757 1128244.612 2185948.631 1692327.832 785926.3451 737999.8875 1126551.665 1036424.755 1216703.144 1010155.256 2811840.969 2471305.498 3127737.582 2774731.292 3062390.436 2281770.649 2160891.523 2053142.151 1321185.359 1142428.333 1774465.554 1594831.433 2031505.753 1852374.595 2558775.484 2405668.1 1680326.151 1579671.768 2345162.756 2297941.488 1418871.406 1206438.89 113119.7925 27155.33293 22286.06334 19036.10765 17612.69242 16632.40792 15260.75332 24844.68343 1392294.993 1741513.152 1605487.095 1539979.778 1184183.634 1094549.305 1102848.253 2008503.362
1-[5-Nitro-2-(1-pyrrolidinyl)benzyl]-1H-imidazole 26442.45334 22109.12311 26897.10192 19643.45075 20419.8601 16494.30265 24506.71819 13553.66083 16422.69988 19206.9363 52223.85555 104258.6589 45466.22757 43659.23703 42129.58222 32625.92671 18146.89716 17682.18082 32881.42712 17865.17556 63159.60444 30876.02165 62932.93197 61882.19578 114310.0239 107695.4454 15142.31532 15160.60901 26998.34316 15558.01566 39013.80515 78742.28368 21713.8112 21058.13466 63663.0492 45519.45911 16806.68082 39688.69439 27627.9522 29308.50535 89297.01096 30375.99093 42105.97011 31264.44289 45576.13534 17685.27338 33367.99144 40129.36241 36077.87641 36504.08916 35820.85056 31246.14924 16825.50706 16306.62057 14455.86901 14268.55499 27282.2027 12289.93526 78604.00711 79776.3052 38011.03918 76945.6283 31094.83369 27026.29046 32481.72028 21941.3041 19934.24302 56294.16376 14014.72992 13244.56214 72850.70728 109868.9366 141573.9407 114000.8421 18484.3221 26432.94371 38448.07498 48055.88111 22638.71635 26430.50209 115262.3304 64472.39864 28205.06135 58984.13127 13739.63391 27815.07812 11014.56489 15812.6254 108491.5056 1720659.995 2100875.325 2044852.471 1599618.571 1345482.425 1156526.119 2371961.891
Gly-Ile 33575.96712 32372.63838 17872.13316 18224.07614 2714528.315 2676499.461 16226.4009 15945.39327 18013.99814 18138.58689 49721.67124 39650.18456 1425503.572 1752159.178 434828.9722 437557.4508 22528.64894 22291.41778 22139.76176 22548.50887 83940.41353 57721.21484 24705.50169 25804.11951 29542.32805 22512.36311 2084051.276 2160455.847 18520.62449 15756.31051 64359.29632 65508.55464 23047.75576 22825.75553 27251.20157 21629.33433 851668.5815 1072096.225 15208.66875 14918.98025 27804.95699 27197.51935 1821392.494 1682555.212 18663.63205 18414.81961 18740.66962 17067.89851 18286.06615 18533.99772 26185.45028 24797.14243 1133487.814 1160073.621 19839.57373 19407.77814 16791.27309 16602.34256 162411.4175 36047.56926 29492.17138 31497.45105 3663193.476 2751351.518 21538.01811 21651.27358 26903.58765 20536.78008 68622.66503 51019.52305 1449766.556 1285134.927 37149.57062 34866.72424 21515.32924 20699.42352 26261.09294 25063.92819 299995.2021 259471.2109 79277.7378 26273.17545 26921.29632 16993.51216 15749.9003 13634.41756 12813.15772 18060.0342 316547.9129 363394.1264 337127.8023 342940.7131 323176.9862 267993.4586 256100.6649 405288.7886
Ethylparaben 118880.4564 241054.5611 26962.32429 85608.70069 1671468.628 1538447.902 103244.7756 70800.64545 124626.6148 53590.9355 333643.8167 137874.1045 3063588.986 3170557.048 404798.3478 338692.613 107180.3761 146608.9197 164079.5908 147545.9252 56032.25822 55796.08049 447019.7384 159697.6224 142304.232 392293.106 1022597.225 1052559.618 65404.72464 300238.9498 90668.55276 57630.51119 194259.3048 27141.39255 51699.07615 195064.2781 1186217.298 1238766.041 72383.00328 118281.6055 444409.9229 459205.3458 1156387.839 1076065.387 177256.3502 85279.05546 193680.8207 116120.7983 120340.9422 109424.7209 107049.4451 189937.5487 942704.9175 1202077.623 148508.6268 108991.291 47441.41412 128055.4378 672705.0128 537635.8275 311108.9164 78515.56485 2568790.033 2056509.481 66308.2724 38274.16137 87396.3408 148775.2711 103215.6569 106249.6816 999427.2673 901132.3292 200998.2437 150160.5778 143540.6236 42049.53533 442872.3797 425106.1323 285689.3771 393121.3555 204292.9861 226911.8515 213830.0734 13806.44913 195669.0108 166875.7785 157379.1869 17099.41923 239856.1863 356896.6611 291439.1986 338469.1398 299687.3646 233343.2024 233158.0293 354071.7635
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name FISh.Coverage Calc..MW RT.[min] inChIKey mzCloudId ChemSpider HMDb KEGG PubChem
L-Isoleucine 38.89 131.09453 2.43 AGPKZVBTJJNPAG-WHFBIAKZSA-N 2244 6067 HMDB00172 C00407 6306
6-Methylquinoline 18.49 143.07324 9.652 LUYISICIYVKBTA-UHFFFAOYSA-N 2933 6792 HMDB33115 7059
DL-Tryptophan 58.62 204.08957 5.891 QIVBCDIJIAJPQS-UHFFFAOYSA-N 415 1116 C00806 1148
L-Phenylalanine 56.52 165.07877 4.629 COLNVLDHVKWLRT-QMMMGPOBSA-N 8 5910 C00079 6140
(2E)-3-(3-Hydroxyphenyl)acrylaldehyde 25 148.05227 4.622
Caffeine 29.63 194.08008 6.531 RYYVLZVUVIJVGH-UHFFFAOYSA-N 338 2424 HMDB01847 C07481 2519
L-Valine 50 117.07906 1.718 KZSNJWFQEVHDMF-BYPYZUCNSA-N 2570 6050 HMDB00883 C00183 6287
Pivagabine 35.29 187.12064 7.244
Dipropylene glycol dimethyl ether 60 162.12543 8.234
L-Methionine sulfoxide 58.62 165.04581 1.95 QEFRNWWLZKMPFJ-YGVKFDHGSA-N 2246 139840 C02989 158980
Pentahomoserine 45.45 133.07405 1.915
Valine 42.86 117.07904 1.573
9-Anthroic acid 18.18 222.06756 11.362
4-Ethoxy ethylbenzoate 18.27 194.094 12.951 HRAQMGWTPNOILP-UHFFFAOYSA-N 7417 21106110 HMDB59898 90232
l-Histidinal 39.88 139.07455 15.242
Adenosine 42.86 267.09633 4.577 OIRDTQYFTABQOQ-KQYNXXCUSA-N 297 186 HMDB00050 C00212 60961
L-(-)-Methionine 37.74 149.05093 1.807 FFEARJCKVFRZRR-BYPYZUCNSA-N 1544 5907 HMDB00696 C00073 6137
Creatine 48.08 131.06947 1.597 CVSVTCORWBXHQV-UHFFFAOYSA-N 357 566 HMDB00064 C00300 586
Pipecolic acid 30.65 129.07891 1.561 HXEACLLIILLPRG-UHFFFAOYSA-N 548 826 849
N-Acetyl-L-leucine 42 173.10507 6.467 WXNXCEHXYPACJF-ZETCQYMHSA-N 512 1918 HMDB11756 C02710 70912
Bis(methylbenzylidene)sorbitol 50 386.17208 11.536 WOOQSKAMMPIQIW-HCXPZJNHSA-N 7439 90474944
Cyprodenate 42.62 227.18812 10.91
Cytosine 34.88 111.04348 1.931 OPTASPLRGRRNAP-UHFFFAOYSA-N 365 577 HMDB00630 C00380 597
Dioxy-creatinine 23.53 114.04285 1.895 RHYBFKMFHLPQPH-UHFFFAOYSA-N 107 62430 HMDB03646 C02565 69217
DL-Lysine 59.09 146.10548 1.317 KDXKERNSBIXSRK-UHFFFAOYSA-N 482 843 C16440 866
5-Methyl-2-octyl-3(2H)-furanone 64.52 210.16149 10.911
Hydrochlorothiazide 10 296.96432 6.68 JZUFKLXOESDKRF-UHFFFAOYSA-N 736 3513 3639
D-(+)-Pipecolinic acid 57.14 129.0789 1.313 HXEACLLIILLPRG-RXMQYKEDSA-N 1782 643442 HMDB05960 736316
D-Homoproline 48.39 129.07896 1.784 HXEACLLIILLPRG-RXMQYKEDSA-N 1782 643442 HMDB05960 736316
QS4476500 21.88 152.05848 3.112
Gabapentin 22.36 171.12587 7.525 UGJMXCAKCUNAIE-UHFFFAOYSA-N 725 3328 HMDB05015 3446
Citric acid 28.44 192.02675 1.89 KRKNYBCHXYNGOX-UHFFFAOYSA-N 352 305 HMDB00094 C00158 311
2'-Deoxycytidine 46.67 227.09024 1.779
L(-)-Pipecolinic acid 34.09 129.07896 1.897 HXEACLLIILLPRG-YFKPBYRVSA-N 1813 388365 HMDB00070 C00408 439227
Nicotinamide 35.14 122.04808 2.516 DFPAKSUCGFBDDF-UHFFFAOYSA-N 517 911 HMDB01406 C00153 936
Dibutyl phthalate 25.53 278.15129 13.644 DOIRQSBPFJWKBE-UHFFFAOYSA-N 32 13837319 3026
N-Nonanoylglycine 60 215.15205 8.645
NP-011548 60.71 315.2768 12.107
2,4,9a-Trimethoxy-3,4a,5-trimethyl-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-6-ol 42.42 326.20867 10.989
D-(+)-Pyroglutamic Acid 40 129.04254 1.993 ODHCTXKNWHHXJC-GSVOUGTGSA-N 417 388752 HMDB00805 C02237 439685
Hippuric acid 33.33 179.05812 6.75 QIAFMBKCNZACKA-UHFFFAOYSA-N 439 451 HMDB00714 C01586 464
7-hydroxy-1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid 36.29 316.20312 11.868
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid 23.68 298.19268 11.866
DL-Serine 21.15 105.04261 1.762 MTCFGRXMJLQNBG-UHFFFAOYSA-N 2964 597 C00716 617
6-Hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one 42.37 310.17745 12.032
PEG n8 25 370.21979 6.62 GLZWNFNQMJAZGY-UHFFFAOYSA-N 1822 71135 78798
Ethyl 3-methyl-3-(p-tolyl)glycidate 26.67 220.10963 12.245
octadec-9-ynoic acid 70.83 262.22913 13.127
N-Undecanoylglycine 74.42 243.183 9.906
Linoleamide 80.43 279.25565 13.129
Bemegride 34.78 155.09456 6.465
1-arachidonoyl-sn-glycero-3-phosphoethanolamine 75.31 501.2847 13.156
2-Acetyl-3,5-dimethylfuran 49.38 138.06804 6.477
3,5-di-tert-Butyl-4-hydroxybenzaldehyde 22.58 234.16153 14.085 DOZRDZLFLOODMB-UHFFFAOYSA-N 621 65974 73219
DL-Glutamine 32.19 146.06903 1.889 ZDXPYRJPNDTMRX-UHFFFAOYSA-N 2967 718 C00303 738
Cuminaldehyde 20 148.08853 12.727 WTWBUQJHJGUZCY-UHFFFAOYSA-N 359 21106431 HMDB02214 C06577 326
L-Glutamic acid 26.92 147.05297 1.609 WHUUTDBJXJRKMK-VKHMYHEASA-N 470 30572 HMDB00148 C00025 33032
4,9-dimethyldodeca-2,4,6,8,10-pentaenedial 30.54 216.11471 12.707
D-PANTOTHENIC ACID 60.87 219.1105 5.345 GHOKWGTUZJEAQD-ZETCQYMHSA-N 536 6361 HMDB00210 C00864 6613
PEG n6 25 282.16761 6.158 IIRDTKBZINWQAW-UHFFFAOYSA-N 1820 16521 17472
PEG n5 10 238.14128 5.824 JLFNLZLINWHATN-UHFFFAOYSA-N 1819 56318 62551
D-(+)-Proline 52.63 115.0635 1.856 ONIBWKKTOPOVIA-SCSAIBSYSA-N 1783 8640 HMDB03411 C00763 8988
1-linoleoyl-sn-glycero-3-phosphoethanolamine 75 477.28465 13.143
HIAA 26.32 191.05798 4.561 DUUGKQCEGZLZNO-UHFFFAOYSA-N 256 1760 HMDB00763 C05635 1826
L-(+)-Arginine 52.94 174.11151 1.466 ODKSFYDXXFIFQN-BYPYZUCNSA-N 2977 6082 HMDB00517 C00062 6322
Creatinine 15.63 113.05909 1.604 DDRJAANPRJIHGJ-UHFFFAOYSA-N 13 568 HMDB00562 C00791 588
L-Kynurenine 47.5 208.08456 4.575 YGPSJZOEDVAXAB-QMMMGPOBSA-N 478 141580 HMDB00183 C00328 161166
Cytidine 20.78 243.08516 1.889 UHDGCWIWMRVCDJ-XVFCMESISA-N 364 5940 HMDB00089 C00475 6175
Meglutol 31.43 162.05265 1.642 NPOAOTPXWNWTSH-UHFFFAOYSA-N 229 1600 HMDB00355 C03761 1662
2'-Deoxycytosine 34.17 97.06421 15.182
Pyridoxamine 12.5 168.0873 1.335 NHZMQXZHNVQTQA-UHFFFAOYSA-N 568 1023 HMDB01431 C00534 1052
3-oxoindane-1-carboxylic acid 13.04 176.04704 11.85
Azelaic acid 54.84 188.10479 8.382 BDJRBEYXGGNYIS-UHFFFAOYSA-N 331 2179 HMDB00784 C08261 2266
Inosine 18.18 268.08038 3.703 UGQMRVRMYYASKQ-KQYNXXCUSA-N 1234 5799 HMDB00195 C00294 6021
2-Oxobutyric acid 14.04 102.03183 2.137 TYEYBOSBBBHJIV-UHFFFAOYSA-N 180 57 HMDB06544 C00109 58
Precocene II 50 220.10963 12.462
3-Acetyl-6-hydroxy-4a,5-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone 43.82 236.14087 11.826
UV9702000 27.42 164.10614 14.552 MRBFGEHILMYPTF-UHFFFAOYSA-N 2567 80080 HMDB61017 88747
3-Tropanol 44.83 141.11535 7.244
PEG-4 11.54 194.11537 5.306
ascopyrone M 50 144.04219 1.673
PEG n7 50 326.19375 6.41 XPJRQAIZZQMSCM-UHFFFAOYSA-N 1821 72017 79718
DL-Homoserine 39.52 119.05829 1.857
8-Azabicyclo[3.2.1]octane-1,2,4-triol 31.43 159.0895 5.546
NP-021844 36.36 230.15144 12.576
2444643WXK 15.63 238.12015 10.318
1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid 37.04 314.1877 13.654
Triisopropanolamine 29.69 191.15201 1.89 SLINHMUFWFWBMU-UHFFFAOYSA-N 2688 23121 24730
2908 40.91 85.08957 2.02
Apocynin 17.31 166.0627 12.949 DFYRUELUNQRZTB-UHFFFAOYSA-N 5847 21106900 C11380 2214
3b-Hydroxy-5-cholenoic acid 45.95 374.28151 12.716
Triethylamine 23.81 101.12072 1.988
miglustat 15.38 219.14676 10.959
Trolox 22.39 250.11998 10.834 GLEVLJDDWXEYCO-UHFFFAOYSA-N 2532 37117 40634
Bis(2-butoxyethyl) ether 38.1 218.18788 13.44 KZVBBTZJMSWGTK-UHFFFAOYSA-N 3329 13881964 8210
Valerophenone 57.14 162.10418 10.766 XKGLSKVNOSHTAD-UHFFFAOYSA-N 935 59482 HMDB31208 66093
DL-Lactic Acid 13.79 90.03184 1.935 JVTAAEKCZFNVCJ-UHFFFAOYSA-N 2603 592 HMDB03328 C01432 612
11-Nitro-1-undecene 18.18 199.15697 9.323
Diethylene glycol 16.67 106.0633 8.233
Gamma-Hydroxybutyric acid 22.58 104.04768 2.751 SJZRECIVHVDYJC-UHFFFAOYSA-N 1486 9984 10413
L-Histidine 20 155.06937 1.567 HNDVDQJCIGZPNO-YFKPBYRVSA-N 473 6038 HMDB00177 C00135 6274
D-Lactose monohydrate 23.33 342.11552 1.641
Ketamine 54.17 237.09187 7.108 YQEZLKZALYSWHR-UHFFFAOYSA-N 1062 3689 3821
Phenylacetylglycine 20 193.07384 7.209 UTYVDVLMYQPLQB-UHFFFAOYSA-N 540 61452 HMDB00821 C05598 68144
Indole 17.14 117.05773 5.891 SIKJAQJRHWYJAI-UHFFFAOYSA-N 444 776 HMDB00738 C00463 798
Bis(4-ethylbenzylidene)sorbitol 47.5 414.20336 12.399 RPMMDFYGVMKCJU-UHFFFAOYSA-N 7437 8042170 9866479
2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine 48.92 167.10581 15.286
4-Hydroxybenzaldehyde 22.92 122.0368 2.37 RGHHSNMVTDWUBI-UHFFFAOYSA-N 234 123 HMDB11718 C00633 126
Bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) (1S,4S)-1-phenyl-1,2,3,4-tetrahydro-1,4-naphthalenedicarboxylate 24.77 542.31732 13.193
CYCLO(-SER-TYR) 56.52 250.09513 7.407
Corticosterone 40.35 346.21388 10.073 OMFXVFTZEKFJBZ-HJTSIMOOSA-N 354 5550 HMDB01547 C02140 5753
N-Desmethyltramadol 25 249.16986 10.91 VUMQHLSPUAFKKK-UHFFFAOYSA-N 3472 171856 HMDB61007 198555
5-Phenylvaleric acid 45.28 178.09918 12.452
4-Methyleneglutamine 28.3 158.06894 1.602
Tetramethylurea 30.61 116.09509 6.255
Traumatin 71.43 212.14096 12.308
Docosahexaenoic acid ethyl ester 82.3 356.27081 12.816 ITNKVODZACVXDS-YNUSHXQLSA-N 6592 8007148 C16185 9831416
Panthenol 14.58 205.13115 9.742 SNPLKNRPJHDVJA-UHFFFAOYSA-N 535 4516 HMDB04231 4678
4-Indolecarbaldehyde 18.37 145.05258 5.891 JFDDFGLNZWNJTK-UHFFFAOYSA-N 1723 295698 333703
Uric acid 38.64 168.02822 2.17 LEHOTFFKMJEONL-UHFFFAOYSA-N 753 1142 HMDB00289 C00366 1175
1872050 82.14 229.16762 9.288
1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone 42.86 220.10959 10.351
L-(+)-Citrulline 36.99 175.09549 1.6 RHGKLRLOHDJJDR-UHFFFAOYSA-N 1240 9367 HMDB00904 C00327 9750
alpha-Ketoglutaric acid 13.53 146.02152 1.906 KPGXRSRHYNQIFN-UHFFFAOYSA-N 305 50 HMDB00208 C00026 51
SL7524000 13.95 124.0525 5.544
10-Undecenoic acid 62.5 184.14605 11.84
Lauramide 28.21 199.1933 13.479
NP-001445 30.77 348.19057 10.974
Diisopropyl phthalate 16.88 250.11996 13.477
Dipropylene glycol 22.22 134.09426 5.684 SZXQTJUDPRGNJN-UHFFFAOYSA-N 1367 30445 32857
3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one 34.29 374.28136 12.954
Sulcatol 25.53 128.12034 6.978 OHEFFKYYKJVVOX-UHFFFAOYSA-N 2606 19533 C07288 20745
(R)-3-Hydroxy myristic acid 56.98 226.19283 12.779 ATRNZOYKSNPPBF-CYBMUJFWSA-N 6771 4450466 HMDB10731 5288266
2,5-Furandicarboxylic acid 13.64 156.00576 1.9
MFCD00070502 10 104.04771 2.429
5-Hydroxy-DL-tryptophan 42.86 220.08449 5.891 LDCYZAJDBXYCGN-UHFFFAOYSA-N 254 141 HMDB00472 C01017 144
p-Hydroxybenzalacetone 32.5 162.06783 10.379
3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]-1-hydroxyethyl}-2,5-dihydrofuran-2-one 45.83 367.23529 10.99
5,8,12-Trihydroxy-2-oxododecanoic acid 63.64 262.14143 7.963
(5S)-5-hydroxy-1,7-diphenylheptan-3-one 14.29 304.14992 6.153
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (11Z)-11-icosenoate 29.85 507.33171 13.434
1722018 40.71 145.11018 1.611
Palmitic Acid 36.36 273.26631 10.739
4-Propylbenzoic acid 17.54 164.08358 11.456 ATZHGRNFEFVDDJ-UHFFFAOYSA-N 2620 121262 137601
glu-leu 37.5 260.13696 6.082
3-Oxooctanoic acid 25.84 158.09413 6.013
NP-003672 25.81 226.09889 12.466
Furaltadone 9.68 324.10515 1.647 YVQVOQKFMFRVGR-VGOFMYFVSA-N 1629 7831887 9553856
Hypoglycine A 55.56 141.07901 6.391 OOJZCXFXPZGUBJ-UHFFFAOYSA-N 2196 8728 9081
UQ1000000 53.57 126.03169 1.644 NSYSSMYQPLSPOD-UHFFFAOYSA-N 1754 10229807 C02752 54675757
(3Z)-Hex-3-enyl isobutyrate 63.16 170.13044 10.465
PEG n10 40 475.29903 6.96 DTPCFIHYWYONMD-UHFFFAOYSA-N 3164 71989 79689
Thymine 32.26 126.04298 5.066 RWQNBRDOKXIBIV-UHFFFAOYSA-N 677 1103 HMDB00262 C00178 1135
Carbazole 20 167.07302 9.663
(E)-Aconitic Acid 20.75 174.01626 1.896 GTZCVFVGUGFEME-HNQUOIGGSA-N 350 392201 HMDB00958 C02341 444212
(2Z)-2-Benzylidenehexanal 48.84 188.11981 14.112
Dibenzylamine 14.71 197.12042 7.694 BWLUMTFWVZZZND-UHFFFAOYSA-N 2722 7373 7656
LQ1825000 50 127.09978 6.464
(2Z)-2-Nonenoic acid 50 156.115 8.469
5-methyldeoxycytidine 47.62 241.10584 2.605 LUCHPKXVUGJYGU-XLPZGREQSA-N 1412 389065 C03592 440055
N-[1-Carboxy-3-(methylsulfinyl)propyl]glutamine 58.14 294.08807 4.553
2-Decylfuran 40.35 208.18249 12.367
N-Formyl-L-glutamic acid 23.64 175.04795 1.781
L-Hydroxyproline 39.86 131.05857 1.608 PMMYEEVYMWASQN-DMTCNVIQSA-N 1825 5605 HMDB00725 C01157 5810
capuride 53.93 186.13678 6.19
Clomazone 9.68 239.07105 5.453 KIEDNEWSYUYDSN-UHFFFAOYSA-N 50 49469 C11095 54778
3360 20.88 110.0732 6.469
6-Methyl-6-(5-methyl-furan-2-yl)-hept-3-en-2-one 59.02 206.13048 11.921
Chromone 10.1 146.0366 2.374
3,4-dehydrothiomorpholine-3-carboxylic acid 15.75 145.01974 1.963
.alpha.-Apocholic acid 35.19 390.27614 10.454
Hexylresorcinol 13.16 194.13044 11.961 WFJIVOKAWHGMBH-UHFFFAOYSA-N 2857 21106121 HMDB32567 3610
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione 42.86 244.06908 2.494
(4E)-2-Amino-3-oxo-4-undecenoic acid 50 213.1364 8.399
6-Hydroxycaproic acid 36.36 132.07883 5.821 IWHLYPDWHHPVAA-UHFFFAOYSA-N 1203 13835 HMDB12843 C06103 14490
NP-020214 51.76 270.21892 14.112
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentanoic acid 38.71 244.0881 8.639
Imagabalin 59.38 173.14144 7.285
NP-000615 25 244.0708 11.865
Ichthyotherol 38.89 190.09907 11.03
Traumatic Acid 60.53 228.1357 8.463
2-Phenylethyl D-glucopyranoside 46.15 284.12543 11.536
4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid 37.74 390.27642 10.221 PEFFBGFCZXFQSX-UHFFFAOYSA-N 7392 29814813 60208906
5-Hydroxy-2-furoic acid 21.43 128.011 1.912
Diphenylamine 13.33 169.08882 13.109 DMBHHRLKUKUOEG-UHFFFAOYSA-N 1333 11003 HMDB32562 C11016 11487
Pregabalin 88.89 159.1258 6.491 AYXYPKUFHZROOJ-ZETCQYMHSA-N 2362 4589156 HMDB14375 5486971
1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydro-2-naphthalenecarboxylic acid 48.15 308.19826 10.935
Succinimide 25.81 99.03236 16.681
2-Amino-3-methoxybenzoic acid 15.64 167.05797 2.042 SXOPCLUOUFQBJV-UHFFFAOYSA-N 1726 224233 HMDB60374 C05831 255720
NP-020521 50 278.224 14.035
6-Hydroxy-5-methyl-4,11-dioxoundecanoic acid 75 244.13091 7.964
2,2,6,6-Tetramethyl-1-piperidinol (TEMPO) 10.05 157.14645 11.079 VUZNLSBZRVZGIK-UHFFFAOYSA-N 1418 478474 549976
4-Hydroxybenzotriazole 25 135.04077 1.559 JMTMSDXUXJISAY-UHFFFAOYSA-N 3050 10607767
Hypoxanthine 32.14 136.03844 2.161 FDGQSTZJBFJUBT-UHFFFAOYSA-N 441 768 HMDB00157 C00262 790
Ureidopropionic acid 33.82 132.0534 1.599 JSJWCHRYRHKBBW-UHFFFAOYSA-N 221 109 HMDB00026 C02642 111
Dihydrothymine 38.64 128.05866 1.591 NBAKTGXDIBVZOO-UHFFFAOYSA-N 398 84456 HMDB00079 C00906 93556
(2Z,12Z)-2,12-Tetradecadiene-4,6,8,10-tetrayne 18.18 178.07788 11.364
5-Methylcytosine 21.91 125.05892 2.602 LRSASMSXMSNRBT-UHFFFAOYSA-N 263 58551 HMDB02894 C02376 65040
(4S)-4-Hydroxy-4-methyltetrahydro-2H-pyran-2-one 13.1 130.06315 6.025
Alvameline 17.18 193.13266 15.221
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate 27.81 199.12076 7.718
d-Valerolactam 30.68 99.06866 4.583
Ethinylestradiol 13.64 296.17703 10.46 BFPYWIDHMRZLRN-SLHNCBLASA-N 285 3170 HMDB01926 C07534 5991
4-Ethylguaiacol 39.74 152.08363 7.25
glu-tyr 66.67 310.11619 5.214
Methyl undec-10-enoate 15.79 198.16184 12.87
Tetraacetylethylenediamine 28.21 228.11078 1.681
Shogaol 55.26 276.17194 10.588 OQWKEEOHDMUXEO-BQYQJAHWSA-N 7655 4445106 HMDB31463 C10494 5281794
aromadendrin 68.42 288.06317 8.624
NP-014287 71.91 313.26113 12.875
(2S)-2,3-Dihydroxypropyl pentadecanoate 56.9 316.26074 13.033
N,N'-Dicyclohexylurea 26.87 224.18832 11.17
3-Dimethylallyl-4-hydroxymandelic acid 21.43 236.10445 11.508
6-[(1Z)-1-Propen-1-yl]-2,3,4,5-tetrahydropyridine 43.4 123.10486 7.244
cystine 37.5 240.02352 1.61
Cervonoyl ethanolamide 88.46 372.26561 10.225
Serotonin 15 176.09477 4.629 QZAYGJVTTNCVMB-UHFFFAOYSA-N 123 5013 HMDB00259 C00780 5202
3-Ureidopropionic acid 30 132.05349 1.783 JSJWCHRYRHKBBW-UHFFFAOYSA-N 221 109 HMDB00026 C02642 111
L(+)-Ornithine 43.75 132.08987 1.308 AHLPHDHHMVZTML-BYPYZUCNSA-N 3215 6026 HMDB00214 C00077 6262
1-Methylimidazoleacetic acid 22.22 140.05851 1.872 ZHCKPJGJQOPTLB-UHFFFAOYSA-N 491 68319 HMDB02820 C05828 75810
Thymidine 45.45 242.09001 5.066 IQFYYKKMVGJFEH-XLPZGREQSA-N 1230 5585 HMDB00273 C00214 5789
3,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one 51.52 244.13091 7.313
(±)-1-Octen-3-ol 22.97 128.12015 12.554
Muscimol 12.26 114.04308 15.058
Ethyl palmitoleate 75.76 282.25545 15.232 JELGPLUONQGOHF-KTKRTIGZSA-N 6589 4941249 6436624
butoctamide 71.43 315.20418 6.246
NP-002322 58.55 329.25578 11.328
17-(Hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~5,9~]nonadeca-5(9),6,10-trien-17-ol 20.45 314.18739 11.202
PEG n11 53.85 519.32514 7.092 PSVXZQVXSXSQRO-UHFFFAOYSA-N 3165 73316 81260
Atagabalin 29.79 185.14151 8.001
(S)-(+)-allantoin 22.03 158.04384 1.638
LU3453000 21.05 84.02159 1.644
2453103 23.33 222.12498 11.36
2,4-Dimethyladipic acid 48.28 174.08922 7.607
(2R,5R,6R)-3-[(1E,3E)-hepta-1,3-dien-1-yl]-5,6-dihydroxy-2-(hydroxymethyl)cyclohexan-1-one 10 276.13315 11.32
MFCD15144952 13.33 132.04246 5.436
(1S)-1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium 9.65 198.12395 7.339
N,N-dimethylarginine 60 202.14272 1.655
MFCD00016472 50 250.15637 12.59
Ethyl furfurylacetate 35 168.07854 7.717
C8-HSL 44.12 227.15198 9.032
NP-008993 64.71 331.27175 10.322
1-[2-Methyl-3-(methylthio)allyl]cyclohex-2-enol 16.34 198.10738 11.712
Methyl alpha-aspartylphenylalaninate 47.06 294.12141 6.377
5-Benzyldihydro-2(3H)-furanone 21.95 176.08344 11.366
NJ5000000 44.25 185.11628 14.867
2-Methylthiazolidine 16.86 103.04583 1.946
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 40 256.13064 8.293
N,N'-Diphenylguanidine 31.25 211.11082 7.279
4-Vinylcatechol 50 136.05228 11.36
MFCD01111382 27.59 192.11493 12.871
(1S,3R,4S)-3,4-Dihydroxycyclohexanecarboxylic acid 44.44 160.07349 4.917
Capsi-amide 42.86 269.27144 17.823
Pumiliotoxin 251D 54.65 251.22441 11.846
(2E,6Z)-Nona-2,6-dienal 42.31 138.10451 8.468
gepefrine 23.42 151.09958 7.244
Panthenyl ethyl ether 20 233.16231 10.541
5-Hydroxy-6-methyl-5,6-dihydro-2H-pyran-2-one 19.05 128.04752 5.811
1,6-Hexanediol diacrylate 53.15 452.2403 12.625
2-{[(2S)-1-Methoxy-1-oxo-2-hexanyl]amino}-2-oxoethanediazonium 14.08 214.11823 6.721
(3E)-3-propylidenephthalide 17.39 174.06777 10.682
1,1,6-Trimethyl-1,2-dihydronaphthalene 21.43 172.125 12.819
Sorbic acid 23.81 112.05267 6.018 WSWCOQWTEOXDQX-MQQKCMAXSA-N 2754 558605 HMDB29581 643460
N,N-Dihydroxy-L-tryptophan 38.89 236.07945 5.056
2-Aminonicotinic acid 19.83 138.04264 1.868 KPIVDNYJNOPGBE-UHFFFAOYSA-N 115 65762 72930
Sebacic acid 45.31 202.12043 9.142 CXMXRPHRNRROMY-UHFFFAOYSA-N 916 5004 HMDB00792 C08277 5192
2-MeO-E1 12.82 300.17188 12.287 WHEUWNKSCXYKBU-QPWUGHHJSA-N 161 389515 HMDB00010 C05299 440624
NP-018716 59.26 216.1358 9.802
MFCD00037215 27.93 218.09003 1.744
ENU 13.89 117.05398 1.58
NP-003399 36.36 212.0833 10.88
Norophthalmic acid 46.67 275.11129 1.665
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracyclo[5.4.1.1~8,11~.0~4,12~]tridecan-9-one 37.93 266.11482 11.539
Nootkatone 32.5 218.16683 12.695 WTOYNNBCKUYIKC-JMSVASOKSA-N 842 1064812 C17914 1268142
Glycidyl methacrylate 14.08 142.06051 1.945 VOZRXNHHFUQHIL-UHFFFAOYSA-N 7279 7549 7837
Homo-L-arginine 61.54 188.12714 1.563
Diethyleneglycol dibenzoate 16.22 314.11488 13.078 NXQMCAOPTPLPRL-UHFFFAOYSA-N 2824 8129 8437
11-Aminoundecanoic acid 76.92 201.17266 8.722
nylon cyclic dimer 26.51 226.1678 7.32
3-Hydroxyanthranilic acid 18.75 153.04249 3.11 WJXSWCUQABXPFS-UHFFFAOYSA-N 198 84 HMDB01476 C00632 86
1780537 26.03 216.13599 11.79
4-methyl-5-oxo-2-pentyl-2,5-dihydrofuran-3-carboxylic acid 62.12 229.13135 7.495
Valproic acid 12.09 144.11476 14.369
PEG n12 43.75 563.35127 7.223 WRZXKWFJEFFURH-UHFFFAOYSA-N 3166 73305 81248
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate 24.39 529.31597 14.311
2442 54.39 144.07863 6.808 GMEONFUTDYJSNV-UHFFFAOYSA-N 6578 13853514 HMDB40433 10883
3-Indoleacetamide 21.43 174.07912 5.89
Iodocarb (IPBC) 14.89 280.99092 11.513 WYVVKGNFXHOCQV-UHFFFAOYSA-N 1056 55933 62097
(4R)-5-Hydroxy-L-leucine 41.18 147.08941 1.76
MFCD00130070 28.13 171.16199 11.728
3-Hydroxytridecanoic acid 50 230.18771 10.979
9-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid 29.03 314.18753 10.128
S-Allyl-L-cysteine 32.14 161.05086 3.312
9,10-Dihydroxy-11-(3-pentyl-2-oxiranyl)undecanoic acid 63.83 330.24005 10.648
5-[(5-Hydroxytetrahydro-2-furanyl)methyl]-1,3-benzenediol 41.67 210.0889 8.386
Taurocholic acid 29.17 515.29081 9.639 WBWWGRHZICKQGZ-HZAMXZRMSA-N 923 6423 HMDB00036 6675
N4-Acetylcytidine 25 285.0958 5.255
Methyl indole-3-acetate 40 189.07871 9.523 KTHADMDGDNYQRX-UHFFFAOYSA-N 489 67279 HMDB29738 C20635 74706
Prolylleucine 41.67 228.14713 1.974 ZKQOUHVVXABNDG-IUCAKERBSA-N 559 392116 444109
Caprolactam 55.32 113.08411 5.556 JBKVHLHDHHXQEQ-UHFFFAOYSA-N 2867 7480 C06593 7768
N-(3-acetamidopropyl)pyrrolidin-2-one 26.67 184.12107 5.565
N-(tert-Butoxycarbonyl)-L-leucine 17.39 231.14691 7.108
(2E,6E)-2,6-Octadienal 45.45 124.08885 8.383
N6-Acetyl-L-lysine 61.54 188.11587 1.834
1-Methyl-1-benzylidene-acetone 33.33 160.08867 11.722
N,N-Bis(2-hydroxyethyl)dodecanamide 56.41 287.24556 10.416
(+/-)-Camphoric acid 31.11 200.10471 8.176
7a-Hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one 34.48 182.09428 7.005
undecenal 32.89 168.15116 10.702
Cyclohexylamine 19.3 99.10519 4.187 PAFZNILMFXTMIY-UHFFFAOYSA-N 7281 7677 HMDB31404 C00571 7965
8-Azabicyclo[3.2.1]octane-1,2,7-triol 12.9 159.08947 5.155
Oxepanone 40.91 114.0683 5.844 PAPBSGBWRJIAAV-UHFFFAOYSA-N 7295 9972 10401
MFCD00065806 50.7 316.20314 11.164
cis-acetylacrylic acid 22.64 114.03195 5.423
Pyrone 23.08 96.02144 1.633
THREO-SPHINGOSINE, (-)- 78.33 299.28184 14.135
(2S)-4-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)pentanoic acid (non-preferred name) 61.7 293.14705 2.674
2,5-Dimethyl-4-ethoxy-3(2H)-furanone 31.03 156.07864 7.605
NP-014175 27.54 316.20333 14.02
hexapropymate 35.48 181.11032 7.718
7-Octene-3,5-diyn-1-ol 17.86 120.05735 11.525
Adenine 12.77 135.05446 2.009 GFFGJBXGBJISGV-UHFFFAOYSA-N 296 185 HMDB00034 C00147 190
1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenecarboxylic acid 25.53 332.19801 11.091 FHQSDRHZGCMBKG-UHFFFAOYSA-N 7637 22370382 14806212
3-oxolauric acid 34.88 214.15655 10.706
2-(2E)-2-Octen-1-ylcyclopentanone 20.69 194.16675 13.938
PPG n6 23.08 366.26163 9.109 UDOJNGPPRYJMKR-UHFFFAOYSA-N 5467 12827208
(3E)-4-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one 48.98 208.14598 13.063
Dodecanedioic acid 77.78 230.15156 8.048 TVIDDXQYHWJXFK-UHFFFAOYSA-N 1182 12213 HMDB00623 C02678 12736
PPG n5 42.86 308.21978 8.416 AQRQHYITOOVBTO-UHFFFAOYSA-N 5464 8011965 9836244
Desthiobiotin 45.95 214.13156 7.211 AUTOLBMXDDTRRT-UHFFFAOYSA-N 384 623 HMDB03581 C01909 643
1-[5-(4-Hydroxy-2-butanyl)-2-methyltetrahydro-2-furanyl]-4-methyl-2-pentanone 55.56 256.20337 12.593
(2Z,4E)-2,4-Hexadienedial 9.72 110.03705 5.805
N(tau)-Methyl-L-histidine 50 169.08481 1.554
Indole-3-acetic acid 22.22 175.06319 8.765 SEOVTRFCIGRIMH-UHFFFAOYSA-N 445 780 HMDB00197 C00954 802
Uracil 32.08 112.02745 1.836 ISAKRJDGNUQOIC-UHFFFAOYSA-N 2531 1141 HMDB00300 C00106 1174
Allylcyclohexane 17.02 124.12515 11.823
3440 37.21 142.13561 11.444
MI5550000 54.55 232.18233 13.101
4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)tetrahydro-2-furanol 65.52 402.16687 11.247
3,4-Methylenesebacic acid 73.91 226.11954 10.587
ala-ile 40.48 202.13172 9.184
2-Propylfuran 20 110.07345 8.08
Crotamiton 15.15 203.13085 14.057 DNTGGZPQPQTDQF-XBXARRHUSA-N 3144 599515 688020
(2Z)-2-(3-Hydroxybenzylidene)heptanal 43.48 218.13013 14.066
val-phe 53.33 264.14662 4.604
MX5800000 22.22 170.05779 6.022
1-(3-Furyl)-1,4-pentanediol 47.83 170.09422 7.918
ML-236C 46.15 290.18767 12.975
Styrene 25 104.06318 11.536
Ethyl 5-oxotetrahydro-2-furancarboxylate 21.21 158.05795 4.979
17a-Methyl-androstan-3-hydroxyimine-17ß-ol 15.38 319.24805 13.203
3-Oxocholic acid 27.91 406.27114 10.729
muramic acid 58.97 251.09999 1.62
Orcinol 10 124.05253 4.916
2361 50 170.1304 12.645
MDPV 27.59 275.15169 13.612
4065 22.86 121.08921 4.615
L-gamma-Glutamyl-L-leucine 47.62 260.13693 5.907
Glycyl-4-hydroxyproline 35.29 188.07965 2.735
Hexanal 15.94 100.08908 8.235
2-Pentyl-3-phenyl-2-oxiranecarboxylic acid 50.82 234.12523 12.83
2-Propionyl-1,4,5,6-tetrahydropyridine 51.35 139.0997 6.236
4-[(2-Isopropyl-5-methylcyclohexyl)oxy]-4-oxobutanoic acid 62.16 256.16697 8.921
9-Oxononanoic acid 18.92 172.10979 8.535
N-[(2S)-2-Hydroxypropanoyl]-L-leucine 24.14 203.11574 5.728
2-Butyl-6-methoxyphenol 36 180.11469 10.246
Ethyl N-[(2-isopropyl-5-methylcyclohexyl)carbonyl]glycinate 72.73 269.19851 10.179
3721 61.54 124.08883 7.669
N-Methylcaprolactam 60.87 127.09975 3.671 ZWXPDGCFMMFNRW-UHFFFAOYSA-N 1415 16434 17369
4-Hydroxynonenal 29.27 156.11485 11.977
lysophosphatidylethanolamine (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 60 525.28453 12.931
Ricinoleic Acid 69.77 298.25027 12.72
Mitraphylline 16.33 368.17467 13.458
3-Indoleacetonitrile 13.16 156.06803 5.886 DMCPFOBLJMLSNX-UHFFFAOYSA-N 206 312357 HMDB06524 C02938 351795
3,4-Didehydroretinoic acid 62.86 298.19259 12.871
NP-006862 23.68 318.21869 11.52
2-Hydroxy-4,5',8a'-trimethyl-1'-oxo-4-vinyloctahydro-1'H-spiro[cyclopentane-1,2'-naphthalene]-5'-carboxylic acid 28.09 334.21357 12.045 JSXYBZIRJXMIMK-UHFFFAOYSA-N 7911 29814739 57509504
5-(4-Methoxyphenyl)-2-methyl-1-penten-3-one 36.17 204.11467 13.061
(2S)-2-Amino-8-oxodecanoic acid 67.47 201.13642 6.852
XT2570000 18.75 116.06273 9.65
Aethusin 23.81 170.10921 9.803
UNII:596C064IG4 33.33 140.08369 6.204
Tasimelteon 31.58 245.14102 12.758
(2-(Dimethoxymethyl)-1-heptenyl)benzene 52.58 248.17719 12.458
3-Hydroxynonanoic acid 46.88 174.1255 8.471
2-Hydroxybenzothiazole 35.71 151.00913 9.017 YEDUAINPPJYDJZ-UHFFFAOYSA-N 3040 13036 13625
(1E)-1-(4-Methoxyphenyl)-4-methyl-1,4-pentadien-3-one 31.15 202.09917 11.722
2-methyl-4-ethyl-5-propyloxazole 36.36 153.1154 7.719
Taurochenodeoxycholic acid 27.91 499.2963 9.376 BHTRKEVKTKCXOH-BJLOMENOSA-N 1398 343282 387316
(+)-podocarpic acid 46.67 274.15614 10.857
Phenol, 2-(3,7-dimethylocta-2,6-dienyl)- 73.33 230.1667 14.019
pro-asn 15.79 229.10602 2.248
N-lauroylglycine 70.97 257.19867 10.517
8-Amino-7-oxononanoic acid 55.56 187.12081 7.799
Dihydrocapsaicin 63.64 307.2142 12.593 XJQPQKLURWNAAH-UHFFFAOYSA-N 964 97096 HMDB38457 C16952 107982
NP-002855 35 212.13996 7.608
9,10-Dihydrokadsurenone 37.93 358.17709 11.126
NP-003459 62.5 168.07858 6.329
N-Tridecanoylglycine 64.86 271.21411 11.133
Texanol 21.56 216.17229 12.551 DAFHKNAQFPVRKR-UHFFFAOYSA-N 2649 6245 6490
Arnicolide A 37.84 306.1461 11.952
cystophorene 19.3 150.14068 10.704
4-oxododecanedioic acid 58.62 244.13093 8.49
3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)-2-(4-methylpentanoyl)-2-cyclopenten-1-one 41.86 280.16747 13.677
(2Z)-4-Methyl-2-phenyl-2-pentenal 19.4 174.10417 12.468
L-decyline 64.1 187.15715 8.023
N-Acetyl-alpha-neuraminic acid 30 309.10541 2.019 SQVRNKJHWKZAKO-YRMXFSIDSA-N 1249 444885 HMDB00773 C19909 444885
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (9Z)-9-hexadecenoate 60.87 451.26878 12.671
Fenfuram 20 201.07886 6.276 JFSPBVWPKOEZCB-UHFFFAOYSA-N 1615 81792 C18833 90590
1,3-di-o-Tolylguanidine 25 239.14175 8.123 OPNUROKCUBTKLF-UHFFFAOYSA-N 2640 7056 7333
Indole-3-lactic acid 43.33 205.07386 8.044 XGILAAMKEQUXLS-UHFFFAOYSA-N 450 83867 HMDB00671 C02043 92904
D-Sphingosine 95 299.28199 12.216 WWUZIQQURGPMPG-KRWOKUGFSA-N 418 4444047 5280335
NP-000124 57.14 245.16259 8.078
3-Methylbutanoic acid 31.03 102.06843 7.734
PEG n13 50 607.3776 7.328 AKWFJQNBHYVIPY-UHFFFAOYSA-N 3167 78633 87168
5-Hydroxy-4-methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one 47.27 248.10437 11.381
(2Z)-2-Benzylidene-3-hydroxyheptanoic acid 32 234.12525 13.342
1-Piperideine 23.08 83.07398 1.3
(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0Âa,Âaâ°.0â´,âa]hexadec-10-ene-5-carboxylic acid 40 300.20828 12.633
ostruthin 33.82 298.15627 10.653 INBMTJJPUABOQJ-VGOFMYFVSA-N 7507 4444768 C09281 5281420
N-Aceyl-L-tyrosine 21.05 223.08365 4.603 CAHKINHBCWCHCF-JTQLQIEISA-N 315 61606 HMDB00866 68310
(4E)-2-Amino-3-oxo-4-nonenoic acid 39.29 185.10498 1.802
2-(Diethylamino)ethanol 39.53 117.11508 1.701 BFSVOASYOCHEOV-UHFFFAOYSA-N 2816 13842001 HMDB33971 7497
piperidinecarboxylic acid 20.32 129.07906 17.818
Benzaldehyde 27.27 106.04176 4.585
Leu-pro 44.19 228.14707 1.81
3,6-dibenzyl-1,2-dihydro-1,2,4,5-tetraazine 18.18 264.13574 11.756
2,4,6-Octatriyn-1-ol 9.52 118.0419 9.583
3-Allylcyclohexene 28.74 122.10949 11.187
Levalbuterol 21.88 261.13594 11.716
carglumic acid 16.67 190.06043 7.698
Bz-Arg-OEt 50 306.16727 5.98
CMPF 50 240.09945 8.49 WMCQWXZMVIETAO-UHFFFAOYSA-N 6677 110498 HMDB61112 123979
(E)-2-Butenyl-4-methyl-threonine 38.1 187.12079 6.047
2-[(Carboxymethyl)amino]-7-octenoic acid 34.88 215.11564 6.315
5-Butyloxazole 23.74 125.08418 6.72
NP-005146 26.67 256.10453 12.309
16-Heptadecyne-1,2,4-triol 63.81 266.22399 12.522 OHLQBKZXSJYBMK-UHFFFAOYSA-N 8017 2283375 HMDB35473 3015189
3543 54.17 270.18279 10.587
Tyramine 50 137.08401 5.036 DZGWFCGJZKJUFP-UHFFFAOYSA-N 1758 5408 HMDB00306 C00483 5610
Phenylisocyanate 23.08 119.03734 7.797
Octodrine 12.5 129.15176 6.431 QNIVIMYXGGFTAK-UHFFFAOYSA-N 8372 10517 10982
Etodolac 14.81 287.15132 8.966 NNYBQONXHNTVIJ-UHFFFAOYSA-N 1611 3192 3308
(2Z)-3,7-Dimethyl-2,6-octadien-1-yl 3-oxobutanoate 92.59 238.15649 8.919
3-Hydroxytetradecanedioic acid 72.22 274.17759 9.442
TO0127900 34.15 155.13103 7.968
1-Isopropenyl-3-isopropylbenzene 50 160.12495 12.188
N-Methylglutamate 50.36 161.06861 2.059
testololactone 32.35 302.18753 12.513
Tetranor-12(S)-HETE 65.38 248.17704 14.548 KBOVKDIBOBQLRS-ONCCEEIJSA-N 4411 29341944 HMDB60055 15730832
Dihydrokawain 57.89 232.10951 10.484 VOOYTQRREPYRIW-LBPRGKRZSA-N 7762 8395748 10220256
Glycocholic acid 30.43 465.30819 10.001 RFDAIACWWDREDC-FRVQLJSFSA-N 429 9734 C01921 10140
4-Oxocyclohexanecarboxylic acid 33.33 142.06302 4.924
9-Nitrooleate 55.71 327.24034 10.742 CQOAKBVRRVHWKV-SAPNQHFASA-N 6717 9820320 11645581
1,2-dihydroxyheptadec-16-yn-4-yl acetate 56.19 343.27117 11.332
Brassylic acid 73.53 244.16686 10.887
DEHYDROCOSTUS LACTONE 33.33 230.13036 12.298
4-Hydroxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one 25.71 250.15611 14.064
3-Methoxycinnamic acid 28.13 160.05223 13.344 LZPNXAULYJPXEH-AATRIKPKSA-N 3482 553269 637668
(2E)-2-Tetradecenal 36.51 210.19823 12.586
Ethyl caproate 33.33 144.11508 8.244
2-Methoxy-7,7,8b-trimethyloctahydrocyclopropa[4,5]indeno[5,6-c]furan-4a,5(4H)-diol 18.37 282.18218 11.419
N~1~-(5-Aminopentyl)-N~2~-(1H-indol-3-ylacetyl)-L-aspartamide 12.5 373.20944 9.108
2-deoxyglucose 29.55 164.06823 11.537
7-Oxoheptanoic acid 48.19 144.07866 5.642
6-[(1E)-3-Hydroxy-1-buten-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-one 35.29 224.14073 13.323
Palmitoleic acid 66.67 254.22406 14.038 SECPZKHBENQXJG-FPLPWBNLSA-N 1256 393216 HMDB03229 C08362 445638
N-Benzylformamide 27.27 135.06856 7.048 IIBOGKHTXBPGEI-UHFFFAOYSA-N 817 72839 C15561 80654
NP-000919 52.38 231.14689 7.428
MFCD08277025 47.22 241.13119 7.857
(4S,5R,8S,9R,12R,13R)-1,5,9-Trimethyl-11,14,15-trioxatetracyclo[10.2.1.0~4,13~.0~8,13~]pentadecan-10-ol 16.22 268.16678 12.982
Piperonylonitrile 16.67 147.03197 7.405 PKRWWZCDLJSJIF-UHFFFAOYSA-N 2545 70512 78136
(2R,3S)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid 27.66 185.10504 6.433
4-Deoxy-5-C-(3,5-di-sec-butyl-1-cyclopenten-1-yl)pentonic acid 45.45 328.22455 12.18
p-menth-3-ene 18.97 138.14073 12.307
Tranexamic acid 47.22 157.1104 6.29 GYDJEQRTZSCIOI-UHFFFAOYSA-N 2095 5325 5526
3,4-Dimethyl-5-pentyl-2-furanpropanoic acid 62.5 238.15636 11.123
(2E)-2-Heptenoic acid 32.26 128.08361 8.834
Gingerdione 65 292.16683 9.198
Capryloylglycine 34.78 201.13614 12.357 SAVLIIGUQOSOEP-UHFFFAOYSA-N 339 76040 HMDB00832 84290
Golotimod 55.56 333.13201 6.871
Asarone 37.5 208.10962 9.206
Salidroside 39.13 300.12052 7.731
Testosterone 32.79 288.2082 11.073 MUMGGOZAMZWBJJ-DYKIIFRCSA-N 674 5791 HMDB00234 C00535 6013
4-Vinylcyclohexene 17.39 108.09425 7.696
Pseudomonas quinolone signal 46.67 259.15659 13.634
(1R,4aS)-7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid 35.9 330.18215 11.004 MXPXAZNVQUWDFH-ODFWGIBRSA-N 7786 72550682
N-pentylpantothenamide 40 288.20465 6.123
ON1225000 14.81 172.07349 6.792 IEPRKVQEAMIZSS-WAYWQWQTSA-N 2721 4436353 HMDB38601 5271566
Monoethyl phthalate 18.52 194.05784 8.976
(2S,8R)-2-Amino-8-hydroxydecanoic acid 34.62 203.15184 6.612
2-(3-Phenylpropyl)tetrahydrofuran 28.3 190.13562 12.579
3-[(1S)-2-Cyclohexen-1-yl]-L-alanine 61.36 169.10989 11.184
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid 55.56 189.08236 6.523
(R)-4''-methoxydalbergione 13.16 254.09358 11.383
8-Hydroxyquinoline 13.33 145.0527 6.702 MCJGNVYPOGVAJF-UHFFFAOYSA-N 2633 1847 C19434 1923
Vanillin 31.34 152.04736 7.697 MWOOGOJBHIARFG-UHFFFAOYSA-N 2529 13860434 HMDB12308 1183?from=summary
4-Phenylbutyric acid 30 164.08342 10.686 OBKXEAXTFZPCHS-UHFFFAOYSA-N 3074 4611 HMDB00543 4775
Ethyl 2,4-dioxohexanoate 26 172.07314 11.339
Dimethyl octanediimidate 46.15 200.15248 6.932
Cyclo(phenylalanyl-prolyl) 38.46 244.12085 7.813 QZBUWPVZSXDWSB-UHFFFAOYSA-N 7685 90257 99895
4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid 23.53 204.07849 10.511
11-Nor-9-carboxy-thc 35 344.19805 11.127 YOVRGSHRZRJTLZ-UHFFFAOYSA-N 2472 97019 107885
N-Acetylimidoquinone 12.5 149.04709 2.069
(6S)-2,6-Anhydro-6-[(1S)-2-isopropyl-5-methylcyclohexyl]-L-gulonic acid 20 316.18796 10.99
1794967 52.27 285.22975 10.623
{3-[(3,3-Dimethyl-2-oxiranyl)methyl]-4,6-dihydroxy-2-methoxyphenyl}acetic acid 25 282.10958 11.131
(8E)-10-Hydroxy-8-decenoic acid 60.98 186.12549 9.384
3-(5-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)-1-phenyl-1-propanone 42.86 308.14076 12.898
3477 35.71 240.14707 6.064 VQDBNKDJNJQRDG-UHFFFAOYSA-N 2368 4679 C07807 4845
7-Methyl-2,6,9,12-tetraoxahexadecane 18.18 248.19826 11.141
NP-019360 40 172.0735 6.978
2-phenyl-2,4,6,7-tetrahydrothiino[4,3-c]pyrazol-3-ol 11.11 232.07088 8.387
3-Amino-2-naphthoic acid 27.27 187.06324 9.17 XFXOLBNQYFRSLQ-UHFFFAOYSA-N 1298 20884 22244
Pinocembrin 38.46 256.0728 11.663 URFCJEUYXNAHFI-UHFFFAOYSA-N 7748 208593 HMDB30808 238782
Thiorphan 81.82 253.07708 8.803
4121 18.52 225.13626 8.271
3,6,9-Trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl acetate 50 304.13088 9.13
NP-018661 73.33 160.10992 7.662
2S-Amino-tridecanoic acid 67.74 229.20387 10.046
2-(2-Hydroxy-2-propanyl)-4-methoxy-7-methyl-2,3,6,7-tetrahydro-9H-furo[3,2-h]isochromen-9-one 17.39 292.13054 10.648
3305 33.33 126.06816 5.642
Pseudoconhydrine 25.93 143.13084 9.907
2-[(3,3-Dimethyl-2-oxiranyl)methyl]-4-(3-methyl-2-buten-1-yl)-1,3,5-benzenetriol 16 278.15143 12.354
(1S)-1,5-Anhydro-1-benzyl-D-galactitol 18.1 254.11492 12.035
(+)-Allopumiliotoxin 267A 50 267.21932 11.814
PENICILLIC ACID 54.55 170.05786 6.666
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol 29.41 242.08015 8.291
Aprobarbital 15.38 210.10033 4.935 UORJNBVJVRLXMQ-UHFFFAOYSA-N 2900 6221 HMDB15441 C07826 6464
1-[5-Nitro-2-(1-pyrrolidinyl)benzyl]-1H-imidazole 18.75 294.11147 6.197 DYCNPDHQBILIME-UHFFFAOYSA-N 3527 2092835 2814446
Gly-Ile 43.4 188.11593 8.339
Ethylparaben 14.29 166.06296 6.663 NUVBSKCKDOMJSU-UHFFFAOYSA-N 2088 13846749 HMDB32573 8434
METABOLITES_END
#END