#METABOLOMICS WORKBENCH yli_20161230_083413 DATATRACK_ID:810 STUDY_ID:ST000530 ANALYSIS_ID:AN000809 PROJECT_ID:PR000389 VERSION 1 CREATED_ON January 5, 2017, 2:24 pm #PROJECT PR:PROJECT_TITLE Effects of herb DG and KK01 on Type 2 Diabetes Mellitus (T2DM) PR:PROJECT_TYPE LC-MS Lipidomics PR:PROJECT_SUMMARY The long-term goal of this research is to use a system pharmacology approach to PR:PROJECT_SUMMARY investigate novel drugs for type 2 diabetes based on the experience of PR:PROJECT_SUMMARY Traditional Chinese Medicine (TCM). The aim of the current study is to use PR:PROJECT_SUMMARY lipidomics to evaluate the anti-diabetic efficacy of DG extract and its major PR:PROJECT_SUMMARY compounds and to interpret the drug targets and mechanisms. DG is a typical PR:PROJECT_SUMMARY “heat clearing” herb in TCM, and has long been used as a treatment for type PR:PROJECT_SUMMARY 2 diabetes. Phytochemicals with KK structure are the predominant constituents in PR:PROJECT_SUMMARY DG extract, and KK01 is the major form, with a content of around 2% of dry herb. PR:PROJECT_SUMMARY To verify that KK01 is the bioactive compound responsible for the effect of DG, PR:PROJECT_SUMMARY we designed an animal experiment to investigate the efficacies of DG and KK01 on PR:PROJECT_SUMMARY db/db mice in comparison to two first-line anti-diabetic drugs, metformin and PR:PROJECT_SUMMARY rosiglitazone. It was found that after 9 weeks of treatments, KK01 was effective PR:PROJECT_SUMMARY in inhibiting the increase of blood glucose of db/db mice, with effects PR:PROJECT_SUMMARY comparable to metformin and rosiglitazone. To understand the mechanism, the mice PR:PROJECT_SUMMARY blood was collected in fasting status, and the serum was separated and divided PR:PROJECT_SUMMARY into three aliquots for lipidomics, cytokine array and Biocrates analysis. This PR:PROJECT_SUMMARY study will focus on lipidomics analysis. PR:INSTITUTE RTI International PR:DEPARTMENT Systems and Translational Sciences (STS) PR:LABORATORY RTI Eastern Regional Comprehensive Metabolomics Resource Core (RTI ERCMRC) PR:LAST_NAME Li PR:FIRST_NAME Yuanyuan PR:ADDRESS 3040 East Cornwallis Road, Research Triangle Park, NC 27709, USA PR:EMAIL yli@rti.org PR:PHONE 9199908327 #STUDY ST:STUDY_TITLE Effects of herb DG and KK01 on Type 2 Diabetes Mellitus (T2DM) through ST:STUDY_TITLE Lipidomics ST:STUDY_TYPE LC-MS lipidomics ST:STUDY_SUMMARY According to the results in animal test, KK01 is effective in controlling blood ST:STUDY_SUMMARY glucose increase with comparable effect as metformin and rosiglitazone. This ST:STUDY_SUMMARY study will conduct lipid profile comparison for serum samples generated from the ST:STUDY_SUMMARY animal tests. The comparison will be based on the following groups: 1) db/db ST:STUDY_SUMMARY mice + DG-high dose; 2) db/db mice +DG-low dose; 3) db/db mice + KK01-high dose; ST:STUDY_SUMMARY 4) db/db mice + KK01-low dose; 5) db/db mice + metformin; 6) db/db mice + ST:STUDY_SUMMARY rosiglitazone; 7) db/db mice + saline (disease model); and 8) wild type mice + ST:STUDY_SUMMARY saline (healthy model). The determined lipid marker(s) will be applied to ST:STUDY_SUMMARY elucidate the drug target(s) and mechanisms of DG and KK01. Furthermore, ST:STUDY_SUMMARY comparison of target(s) between KK01 and the first line drugs in diabetic ST:STUDY_SUMMARY treatment, e.g., metformin and rosiglitazone, will facilitate the finding of ST:STUDY_SUMMARY featured pathway(s) of KK01 differentiated from the established drugs. ST:STUDY_SUMMARY Comparison of drug target(s) between KK01 and DG can help to understand the ST:STUDY_SUMMARY synergistic effects of multiple constituents in the herb. ST:INSTITUTE RTI International ST:DEPARTMENT Systems and Translational Sciences (STS) ST:LABORATORY RTI Eastern Regional Comprehensive Metabolomics Resource Core (RTI RCMRC) ST:LAST_NAME Sumner ST:FIRST_NAME Susan ST:ADDRESS 3040 East Cornwallis Road, Research Triangle Park, NC 27709, USA ST:EMAIL ssumner@rti.org ST:PHONE 919-541-7479 ST:NUM_GROUPS 10 ST:TOTAL_SUBJECTS 93 samples for positive mode and 80 samples for negative mode #SUBJECT SU:SUBJECT_TYPE Serum SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57BLKsJ-db/db (disease model) and C57BLKsJ wild type (wild type) SU:AGE_OR_AGE_RANGE 14 weeks; drug administration since the 5th week SU:WEIGHT_OR_WEIGHT_RANGE 37-58 g for db/db mice; 18-25 g for wild type mice SU:GENDER Male #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - S_56 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments: Group1, DG extract high dose SUBJECT_SAMPLE_FACTORS - S_53 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments: Group1, DG extract high dose SUBJECT_SAMPLE_FACTORS - S_7 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments: Group1, DG extract high dose SUBJECT_SAMPLE_FACTORS - S_47 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments: Group1, DG extract high dose SUBJECT_SAMPLE_FACTORS - S_19 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments: Group1, DG extract high dose SUBJECT_SAMPLE_FACTORS - S_60 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments: Group1, DG extract high dose SUBJECT_SAMPLE_FACTORS - S_67 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments: Group1, DG extract high dose SUBJECT_SAMPLE_FACTORS - S_34 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group1, DG extract high dose SUBJECT_SAMPLE_FACTORS - S_28 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group1, DG extract high dose SUBJECT_SAMPLE_FACTORS - S_42 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group1, DG extract high dose SUBJECT_SAMPLE_FACTORS - S_25 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 2, DG extract low dose SUBJECT_SAMPLE_FACTORS - S_4 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 2, DG extract low dose SUBJECT_SAMPLE_FACTORS - S_54 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 2, DG extract low dose SUBJECT_SAMPLE_FACTORS - S_16 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 2, DG extract low dose SUBJECT_SAMPLE_FACTORS - S_73 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 2, DG extract low dose SUBJECT_SAMPLE_FACTORS - S_77 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 2, DG extract low dose SUBJECT_SAMPLE_FACTORS - S_38 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 2, DG extract low dose SUBJECT_SAMPLE_FACTORS - S_3 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 2, DG extract low dose SUBJECT_SAMPLE_FACTORS - S_36 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 2, DG extract low dose SUBJECT_SAMPLE_FACTORS - S_57 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 2, DG extract low dose SUBJECT_SAMPLE_FACTORS - S_15 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 3, KK 01 high dose SUBJECT_SAMPLE_FACTORS - S_61 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 3, KK 01 high dose SUBJECT_SAMPLE_FACTORS - S_20 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 3, KK 01 high dose SUBJECT_SAMPLE_FACTORS - S_59 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 3, KK 01 high dose SUBJECT_SAMPLE_FACTORS - S_66 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 3, KK 01 high dose SUBJECT_SAMPLE_FACTORS - S_48 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 3, KK 01 high dose SUBJECT_SAMPLE_FACTORS - S_5 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 3, KK 01 high dose SUBJECT_SAMPLE_FACTORS - S_33 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 3, KK 01 high dose SUBJECT_SAMPLE_FACTORS - S_76 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 3, KK 01 high dose SUBJECT_SAMPLE_FACTORS - S_51 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 3, KK 01 high dose SUBJECT_SAMPLE_FACTORS - S_29 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 4, KK 01 low dose (i.p.) SUBJECT_SAMPLE_FACTORS - S_43 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 4, KK 01 low dose (i.p.) SUBJECT_SAMPLE_FACTORS - S_39 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 4, KK 01 low dose (i.p.) SUBJECT_SAMPLE_FACTORS - S_12 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 4, KK 01 low dose (i.p.) SUBJECT_SAMPLE_FACTORS - S_50 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 4, KK 01 low dose (i.p.) SUBJECT_SAMPLE_FACTORS - S_37 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 4, KK 01 low dose (i.p.) SUBJECT_SAMPLE_FACTORS - S_14 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 4, KK 01 low dose (i.p.) SUBJECT_SAMPLE_FACTORS - S_79 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 4, KK 01 low dose (i.p.) SUBJECT_SAMPLE_FACTORS - S_82 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 4, KK 01 low dose (i.p.) SUBJECT_SAMPLE_FACTORS - S_23 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 4, KK 01 low dose (i.p.) SUBJECT_SAMPLE_FACTORS - S_74 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 5, metformin SUBJECT_SAMPLE_FACTORS - S_58 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 5, metformin SUBJECT_SAMPLE_FACTORS - S_1 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 5, metformin SUBJECT_SAMPLE_FACTORS - S_8 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 5, metformin SUBJECT_SAMPLE_FACTORS - S_49 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 5, metformin SUBJECT_SAMPLE_FACTORS - S_13 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 5, metformin SUBJECT_SAMPLE_FACTORS - S_75 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 5, metformin SUBJECT_SAMPLE_FACTORS - S_44 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 5, metformin SUBJECT_SAMPLE_FACTORS - S_71 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 5, metformin SUBJECT_SAMPLE_FACTORS - S_52 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone SUBJECT_SAMPLE_FACTORS - S_21 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone SUBJECT_SAMPLE_FACTORS - S_65 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone SUBJECT_SAMPLE_FACTORS - S_32 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone SUBJECT_SAMPLE_FACTORS - S_72 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone SUBJECT_SAMPLE_FACTORS - S_69 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone SUBJECT_SAMPLE_FACTORS - S_2 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone SUBJECT_SAMPLE_FACTORS - S_45 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone SUBJECT_SAMPLE_FACTORS - S_46 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone SUBJECT_SAMPLE_FACTORS - S_18 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone SUBJECT_SAMPLE_FACTORS - S_62 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 7, saline SUBJECT_SAMPLE_FACTORS - S_24 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 7, saline SUBJECT_SAMPLE_FACTORS - S_40 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 7, saline SUBJECT_SAMPLE_FACTORS - S_27 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 7, saline SUBJECT_SAMPLE_FACTORS - S_64 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 7, saline SUBJECT_SAMPLE_FACTORS - S_41 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 7, saline SUBJECT_SAMPLE_FACTORS - S_68 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 7, saline SUBJECT_SAMPLE_FACTORS - S_70 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 7, saline SUBJECT_SAMPLE_FACTORS - S_22 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 7, saline SUBJECT_SAMPLE_FACTORS - S_17 Gene type:C57BLKsJ (WT) | Phenotypic grouping and treaments:Group 8, saline SUBJECT_SAMPLE_FACTORS - S_78 Gene type:C57BLKsJ (WT) | Phenotypic grouping and treaments:Group 8, saline SUBJECT_SAMPLE_FACTORS - S_9 Gene type:C57BLKsJ (WT) | Phenotypic grouping and treaments:Group 8, saline SUBJECT_SAMPLE_FACTORS - S_55 Gene type:C57BLKsJ (WT) | Phenotypic grouping and treaments:Group 8, saline SUBJECT_SAMPLE_FACTORS - S_11 Gene type:C57BLKsJ (WT) | Phenotypic grouping and treaments:Group 8, saline SUBJECT_SAMPLE_FACTORS - S_30 Gene type:C57BLKsJ (WT) | Phenotypic grouping and treaments:Group 8, saline SUBJECT_SAMPLE_FACTORS - S_6 Gene type:C57BLKsJ (WT) | Phenotypic grouping and treaments:Group 8, saline SUBJECT_SAMPLE_FACTORS - S_80 Gene type:C57BLKsJ (WT) | Phenotypic grouping and treaments:Group 8, saline SUBJECT_SAMPLE_FACTORS - S_63 Gene type:C57BLKsJ (WT) | Phenotypic grouping and treaments:Group 8, saline SUBJECT_SAMPLE_FACTORS - S_26 Gene type:C57BLKsJ (WT) | Phenotypic grouping and treaments:Group 8, saline SUBJECT_SAMPLE_FACTORS - S_35 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 8, saline SUBJECT_SAMPLE_FACTORS - S_81 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 9, saline (i.p.) SUBJECT_SAMPLE_FACTORS - S_10 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 9, saline (i.p.) SUBJECT_SAMPLE_FACTORS - S_83 Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 9, saline (i.p.) SUBJECT_SAMPLE_FACTORS - P_1 Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- SUBJECT_SAMPLE_FACTORS - P_2 Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- SUBJECT_SAMPLE_FACTORS - P_3 Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- SUBJECT_SAMPLE_FACTORS - P_4 Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- SUBJECT_SAMPLE_FACTORS - P_5 Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- SUBJECT_SAMPLE_FACTORS - P_6 Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- SUBJECT_SAMPLE_FACTORS - P_7 Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- SUBJECT_SAMPLE_FACTORS - P_8 Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- SUBJECT_SAMPLE_FACTORS - P_9 Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- SUBJECT_SAMPLE_FACTORS - P_10 Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- SUBJECT_SAMPLE_FACTORS - P_11 Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- #COLLECTION CO:COLLECTION_SUMMARY Mice were fasting over night and then sacrified to collect blood. CO:SAMPLE_TYPE Serum CO:COLLECTION_LOCATION Wuhan Institute of Drug and Device Control, China CO:STORAGE_CONDITIONS Frozen -80oC CO:COLLECTION_VIALS Eppendorf tube 1 mL CO:STORAGE_VIALS Eppendorf tube 0.5 mL CO:COLLECTION_TUBE_TEMP Room temperature CO:BLOOD_SERUM_OR_PLASMA Serum #TREATMENT TR:TREATMENT_SUMMARY C57BLKsJ-db/db mice were classified randomly into 8 groups. Seven groups were TR:TREATMENT_SUMMARY with 9~10 mice for each and one group with 4 mice. Mice were treated with DG TR:TREATMENT_SUMMARY extract (5 g/Kg), DG extract (1 g/Kg), KK01 (50 mg/Kg), KK01 (20 mg/Kg), TR:TREATMENT_SUMMARY metformin (5 mg/Kg); rotaglitazone (5 mg/Kg); and saline. Group treated with TR:TREATMENT_SUMMARY KK01(20 mg/Kg) and the group with 4 mice treated by saline were used TR:TREATMENT_SUMMARY intraperitoneal injection. Other groups were in intragastric administration. TR:TREATMENT_SUMMARY Also, a group with ten C57BLKsJ mice fedding with saline was used as healthy TR:TREATMENT_SUMMARY control. The drug administration were started with the 5th week of the age and TR:TREATMENT_SUMMARY lasted for 9 weeks. TR:TREATMENT_ROUTE Intragastric administration for all except for group of KK01 low-dose (20 TR:TREATMENT_ROUTE mg/Kg), and 4 db/db mice treated with saline which were treated by TR:TREATMENT_ROUTE intraperitoneal injection. TR:TREATMENT_DOSE 5 g/Kg for DG high dose; 1 g/Kg for DG low dose; 50 mg/Kg for KK01 high dose; 20 TR:TREATMENT_DOSE mg/Kg (i.p.) for KK01 low dose; 5 mg/Kg for metformin, 5 mg /Kg for TR:TREATMENT_DOSE rosiglitazone TR:TREATMENT_DOSEVOLUME 0.5 mL TR:TREATMENT_DOSEDURATION 9 weeks TR:TREATMENT_VEHICLE saline TR:ANIMAL_FASTING Over night TR:ANIMAL_ENDP_TISSUE_COLL_LIST liver, kidney, brain, white fat, brown fat, pancreas #SAMPLEPREP SP:SAMPLEPREP_SUMMARY In lipidomics analysis, samples were first thawed on ice, and then mixed by SP:SAMPLEPREP_SUMMARY vortex for 4 min at 4,000 rpm, followed by centrifugation for 4 min at 4, 000 SP:SAMPLEPREP_SUMMARY rcf to spin down particulate. Pooled mouse serum from Sigma Aldrich (S7273) were SP:SAMPLEPREP_SUMMARY used as QC samples. A 30 µL aliquot of each serum sample (including QC sample SP:SAMPLEPREP_SUMMARY and real sample) was transferred to a 2.0 mL Eppendorf Lo-Bind tube and SP:SAMPLEPREP_SUMMARY extracted by 600 µL of 2:1 dichloromethane: methanol (DCM) via vortex-mixing SP:SAMPLEPREP_SUMMARY for 2 min at 4,000 rpm. Then, 120 µL of H2O was added and repeated the SP:SAMPLEPREP_SUMMARY vortex-mixing for 1 min at 4,000 rpm. After placing the sample at room SP:SAMPLEPREP_SUMMARY temperature for 10 min, the tube was centrifuged at 16,000 rcf for 10 minutes at SP:SAMPLEPREP_SUMMARY 10 °C. A 370 µL aliquot of the lower lipid-rich DCM layer was transferred to a SP:SAMPLEPREP_SUMMARY new labeled 2.0 mL Eppendorf Lo-Bind tubes and then lyophilized to complete SP:SAMPLEPREP_SUMMARY dryness overnight. For immediate analysis, 300 µL of SP:SAMPLEPREP_SUMMARY acetonitrile:isopropanol:H2O (65:30:5, v/v/v) was added to reconstitute the SP:SAMPLEPREP_SUMMARY dried tissue extract, and the samples were thoroughly mixed on a multi-tube SP:SAMPLEPREP_SUMMARY vortexer for 10 min at 5000 rpm and centrifuged at 16,000 rcf for 4 min. The SP:SAMPLEPREP_SUMMARY supernatants were transferred to labeled autosampler vials for data acquisition SP:SAMPLEPREP_SUMMARY by LC-MS. SP:EXTRACTION_METHOD cold 2:1 dichloromethane: methanol vortex extraction SP:EXTRACT_STORAGE -80 oC SP:SAMPLE_RESUSPENSION acetonitrile:isopropanol:H2O (65:30:5, v/v/v) SP:SAMPLE_SPIKING 1,2-diheptadecanoyl-sn-glycero-3-phosphocholine #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity CSH C18 (100 x 2.1mm, 1.7um) CH:FLOW_RATE 0.25 mL/min CH:COLUMN_TEMPERATURE 50 oC CH:SOLVENT_A 10 Mm Ammonium formate in 60:40 H2O/ Acetonitrile with 0.1% formic acid CH:SOLVENT_B 10 mM Ammonium formate in 90:10 Isopropanol/ Acetonitrile with 0.1% formic acid CH:COLUMN_PRESSURE 6000-10000 CH:INJECTION_TEMPERATURE 4 oC CH:INTERNAL_STANDARD 1,2-diheptadecanoyl-sn-glycero-3-phosphocholine CH:ANALYTICAL_TIME 30 min CH:WEAK_WASH_SOLVENT_NAME 60:40 water/acetonitrile in 10 mM ammonium formate with 0.1% formic acid CH:WEAK_WASH_VOLUME 1200 uL CH:STRONG_WASH_SOLVENT_NAME 90:10 isopropanol/acetonitrile in 10 mM ammonium formate with 0.1% formic acid CH:STRONG_WASH_VOLUME 600 uL CH:SAMPLE_LOOP_SIZE 10 uL CH:SAMPLE_SYRINGE_SIZE 100 uL CH:RANDOMIZATION_ORDER Yes #ANALYSIS AN:ANALYSIS_TYPE MS AN:OPERATOR_NAME Yuanyuan Li AN:DATA_FORMAT Profile #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Thermo Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:CAPILLARY_TEMPERATURE 250 oC MS:COLLISION_ENERGY 35 MS:FRAGMENTATION_METHOD CID MS:ION_SOURCE_TEMPERATURE 400 oC MS:ION_SPRAY_VOLTAGE 4.0 kV MS:IONIZATION ES- MS:MASS_ACCURACY 10 ppm MS:DESOLVATION_GAS_FLOW 50 arbitary unit MS:DESOLVATION_TEMPERATURE 400 oC MS:RESOLUTION_SETTING 30000 MS:SCAN_RANGE_MOVERZ 120-2000 m/s #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS m/z MS_METABOLITE_DATA_START Samples P_1 P_2 P_3 P_4 P_5 P_6 P_7 P_8 P_9 S_56 S_53 S_7 S_47 S_19 S_60 S_67 S_34 S_28 S_42 S_25 S_4 S_54 S_16 S_38 S_3 S_36 S_57 S_15 S_61 S_20 S_59 S_66 S_48 S_5 S_33 S_51 S_29 S_43 S_39 S_12 S_50 S_37 S_14 S_23 S_58 S_1 S_8 S_49 S_13 S_44 S_71 S_52 S_21 S_65 S_32 S_72 S_69 S_2 S_45 S_46 S_18 S_62 S_24 S_40 S_27 S_64 S_41 S_68 S_70 S_22 S_17 S_9 S_55 S_11 S_30 S_6 S_63 S_26 S_35 S_10 Factors Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- Gene type:Pool serum from Sigma | Phenotypic grouping and treaments:- Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments: Group1, DG extract high dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments: Group1, DG extract high dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments: Group1, DG extract high dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments: Group1, DG extract high dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments: Group1, DG extract high dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments: Group1, DG extract high dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments: Group1, DG extract high dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group1, DG extract high dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group1, DG extract high dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group1, DG extract high dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 2, DG extract low dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 2, DG extract low dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 2, DG extract low dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 2, DG extract low dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 2, DG extract low dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 2, DG extract low dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 2, DG extract low dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 2, DG extract low dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 3, KK 01 high dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 3, KK 01 high dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 3, KK 01 high dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 3, KK 01 high dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 3, KK 01 high dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 3, KK 01 high dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 3, KK 01 high dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 3, KK 01 high dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 3, KK 01 high dose Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 4, KK 01 low dose (i.p.) Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 4, KK 01 low dose (i.p.) Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 4, KK 01 low dose (i.p.) Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 4, KK 01 low dose (i.p.) Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 4, KK 01 low dose (i.p.) Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 4, KK 01 low dose (i.p.) Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 4, KK 01 low dose (i.p.) Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 4, KK 01 low dose (i.p.) Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 5, metformin Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 5, metformin Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 5, metformin Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 5, metformin Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 5, metformin Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 5, metformin Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 5, metformin Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 6, rosiglitazone Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 7, saline Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 7, saline Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 7, saline Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 7, saline Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 7, saline Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 7, saline Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 7, saline Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 7, saline Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 7, saline Gene type:C57BLKsJ (WT) | Phenotypic grouping and treaments:Group 8, saline Gene type:C57BLKsJ (WT) | Phenotypic grouping and treaments:Group 8, saline Gene type:C57BLKsJ (WT) | Phenotypic grouping and treaments:Group 8, saline Gene type:C57BLKsJ (WT) | Phenotypic grouping and treaments:Group 8, saline Gene type:C57BLKsJ (WT) | Phenotypic grouping and treaments:Group 8, saline Gene type:C57BLKsJ (WT) | Phenotypic grouping and treaments:Group 8, saline Gene type:C57BLKsJ (WT) | Phenotypic grouping and treaments:Group 8, saline Gene type:C57BLKsJ (WT) | Phenotypic grouping and treaments:Group 8, saline Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 8, saline Gene type:C57BLKsJ-db/db | Phenotypic grouping and treaments:Group 9, saline (i.p.) 13.24_1049.5324m/z 733.4778441 1151.829063 987.7656405 805.7242092 1327.31272 732.3042422 708.1485213 786.5357583 1575.283152 2764.393143 3189.586783 3861.238946 4065.039058 3389.947847 3070.469953 2953.048287 4064.684978 3193.518132 3318.265356 3031.576095 2702.814409 2238.942081 3778.9803 4042.255551 2985.603744 4101.953023 6420.0755 3191.352697 2853.028497 2903.908733 3171.986821 3413.822204 2692.449743 3331.525527 3113.866022 2484.806206 3708.067775 2351.44287 4217.687902 3492.822968 3426.973959 4058.309719 3252.664249 3588.643275 2170.290585 3579.142727 2584.195076 3363.585201 2711.718711 3261.621229 3142.83708 2684.726412 2817.875712 2898.950253 3650.537523 4039.537533 3172.12476 2462.906472 2633.86298 1857.325966 3286.401318 2770.216318 4083.505814 4310.085609 2782.371139 2905.034349 2966.974852 3125.21371 2991.365077 3494.848014 2582.786237 2659.879183 1807.697228 2929.428962 2974.683381 2979.448632 2504.651816 2271.740691 3425.77241 3322.359092 13.24_981.5446m/z 1225.882391 1780.348954 1530.574279 1408.840018 1441.522309 1164.38667 1027.95865 1291.124336 2135.954005 5066.187891 4455.595763 6080.893048 6117.2265 6244.316628 5441.133822 5371.768926 6337.758153 5513.650052 5778.51799 5075.149256 4623.584921 4512.911309 6560.06661 7677.435411 5266.323207 7186.193835 9366.120488 5431.114457 4901.419492 5589.889278 5746.026318 6309.336088 5004.772177 6003.841672 5498.536433 5149.081754 6347.881513 4936.630088 6801.058255 5808.364146 6444.230606 7092.441318 5488.353911 6403.255174 4020.38352 5800.83548 5372.728608 5199.995214 5160.254102 5809.154894 4961.463531 5378.989941 5121.921645 5130.205784 6344.107078 6605.178607 5370.227476 4565.259654 5303.96883 3760.522198 6225.366288 4791.913058 7004.994914 7001.953529 4430.57814 5499.610574 5607.046547 5394.322084 5267.025586 6509.448796 4122.580376 3998.214308 3207.279559 4793.678281 4630.985766 4674.27872 3902.780054 3552.869654 6033.616408 5698.70475 6.70_464.3169m/z 4706.806647 5152.024329 4970.892092 5054.789981 5212.261176 4560.395345 4849.929565 5752.210716 6381.340373 630.2741575 493.0851273 383.2148174 558.1700078 531.3938665 614.9253419 364.6755263 489.7233224 548.291713 479.7039952 649.7564785 611.839178 717.620414 385.5394476 342.4482877 337.6237951 223.3535467 66.16817622 521.0013661 407.9331411 393.126172 414.1565594 353.3151951 355.0931354 296.8004769 236.689314 188.0876609 659.7019298 551.1926917 563.5607061 394.8462935 342.3469446 478.4842954 317.8552694 362.8466437 442.3828523 373.7479069 316.3288823 291.6458577 269.1384197 269.4413929 177.4066859 313.0796986 294.2581782 272.5409606 252.0274971 164.7632271 163.9691479 397.4827449 269.6374766 218.0467583 116.5364835 468.68274 370.3295153 433.6019174 517.865901 355.4678802 472.8487808 560.135095 213.242813 319.0674953 761.2754256 788.7647935 793.7639733 534.9106517 429.2692366 400.0484918 426.1200519 359.2376055 449.6309642 481.3985268 13.24_998.5362m/z 494.1586294 700.0307586 866.6332346 785.8150756 947.6615964 363.0325818 403.4728171 793.3018907 1257.892343 2584.903251 2776.997392 2641.910094 3419.022473 2888.601401 2628.715863 2179.174894 3582.223346 2389.457776 2662.777446 2363.692109 2525.477511 2221.347603 2944.236171 3648.547289 2403.298885 3198.955565 5667.116002 2184.429704 1801.570812 2024.038106 2263.731287 2579.2635 1695.249799 2059.147231 1764.880563 1521.575463 2818.829053 1819.706347 3864.534656 2633.950844 2765.221041 3293.927244 2079.828508 2614.993901 1531.698466 2416.032157 2183.109826 2712.757113 1932.340749 2698.75432 2150.518504 1430.739661 1285.577581 1472.013292 2054.729066 2350.54569 1574.403628 1193.056056 1753.788425 921.790891 1872.596735 2027.810736 2735.954917 3583.837965 2071.95157 2428.719233 2285.408819 2725.794622 2291.566929 2996.901722 2319.718985 2524.088607 1960.549836 2588.477412 2827.824855 2599.638369 2021.654446 2179.701533 2635.80306 2867.570487 13.24_886.6206m/z 1306.947958 1573.893578 1545.787513 1481.619848 1312.673573 1189.328227 1295.90932 1009.063674 1483.821549 5066.464738 3855.894652 6293.957613 4516.147097 4032.209263 4749.229136 4587.834553 2475.896395 5195.702965 1853.96342 6066.981882 4247.699874 3471.754704 3279.992307 3432.825182 3521.438031 2661.003101 1483.81414 5926.063256 6389.971229 5629.149647 3455.349955 3637.715856 4109.050057 4514.709226 5609.145021 3483.15219 4986.354568 6328.240004 2501.919493 3200.576135 2893.972918 3988.68292 4744.974184 3582.196787 5197.790778 3489.889991 4697.712925 2149.257282 3791.871715 2577.093938 2064.644412 10604.19548 11824.34726 10061.58109 7810.967641 6039.752596 9065.933405 9526.39768 8707.31977 6945.023973 7863.618455 3769.905671 5582.295461 2585.867822 3129.500023 2258.833819 3666.967692 1879.248826 3706.122408 3013.054115 2379.468634 2225.442212 1351.726901 2170.4295 1500.104044 1885.695583 1318.930774 1336.283155 4495.060249 4046.636574 13.24_1043.5146m/z 288.9867661 358.6182491 328.7794995 400.3526373 456.3552651 253.7841061 249.0249469 360.3302461 662.5999172 1556.910813 1514.570335 2094.909071 1706.633637 2162.894174 1864.769996 1722.701009 2246.778957 1878.193049 1367.260858 1678.837295 1639.566724 1508.716212 2309.16052 2294.586438 1489.754929 2225.763503 3689.542687 1656.926963 1216.172574 1938.34192 1761.013389 2349.61315 1610.657344 1868.087507 1677.654061 1285.182956 2511.493974 1652.247694 2152.43804 2002.602503 2222.729767 2376.062488 1820.226791 2224.228402 1199.540721 1802.594335 1782.116565 1951.884548 1661.462525 2215.721242 1846.101756 1367.0042 1279.810681 1445.314117 1922.614685 2050.553312 1301.463178 1315.952801 1311.552392 1018.489074 1501.847618 1816.247153 2098.394055 2496.681424 1544.308977 1966.376998 1698.642557 1979.024046 1444.53176 2250.242336 1239.303902 1568.442188 1259.404567 1751.796262 1575.359137 1533.705892 1400.893344 1385.856633 2067.239332 2029.608575 13.24_1032.5410m/z 606.7569883 766.612637 567.185176 577.6458203 632.6722822 322.8854277 232.7052456 450.05724 793.7267887 1956.395484 2035.85859 2561.71857 2599.901252 2562.412208 2417.262157 2322.250452 3037.584893 2577.58975 1777.375486 2260.111031 2383.235282 1994.224743 2946.912989 3372.43885 2477.025175 2960.723587 4673.312847 2639.382836 1821.445994 2222.053964 2421.50218 2642.029979 1851.904337 2402.395386 2038.637415 1653.396865 2878.641021 1821.143093 3136.312293 2725.288644 2721.970329 2962.789989 2331.992554 2776.003071 1460.170254 2606.016628 2252.93613 2492.362031 1830.499838 2697.587234 2437.12436 1897.498795 1422.25614 1647.866009 2538.843496 2579.834839 1729.865624 1614.166902 2166.091136 1245.595269 2339.402402 2056.557465 2807.726071 3072.509171 2269.433468 2436.209999 2156.5028 2374.209787 2311.652 3013.305993 1903.231547 1966.270542 1483.762308 2155.951868 2011.567524 2108.575364 2038.175643 1822.640754 2752.971129 2444.620071 13.21_964.5542m/z 1017.843531 1444.971184 1246.449439 1341.803607 1500.797781 941.3979037 1197.320851 1042.18029 1915.614432 5885.569391 5040.246247 7887.894246 6911.906528 7348.680251 6680.141274 6943.161826 7316.735154 6647.244824 5929.550603 6569.84841 5948.704352 5942.630362 8172.421974 9450.891009 6486.943496 8349.074596 10164.73913 6985.614596 6191.625873 7591.419614 7646.481776 8511.721199 6703.646963 8469.550395 7154.027809 6947.348929 7631.491929 6301.22569 7848.637428 7281.813333 7446.295642 9002.437171 7393.248465 8332.049467 5417.109196 7542.704657 7257.511136 6044.503318 7013.994964 7849.712484 6453.667905 7365.608511 7064.761822 7000.170539 8726.359919 8380.833669 7676.646392 6329.666792 7929.437835 6142.723368 7907.172463 6648.634759 8241.79941 8203.349341 6284.999899 7348.189073 7144.670318 6617.358677 6737.41927 7986.834214 4539.965045 4550.280873 3551.949013 5345.889119 4860.124657 5590.276141 4943.213413 4227.104518 7510.814177 7102.414578 13.21_834.5670m/z 838.4517308 1076.840424 1092.206418 1055.992796 850.3712515 379.9609892 709.0927514 923.7244183 1243.694886 3829.92178 1852.252271 4116.634844 3365.121543 3064.316301 3396.485752 3577.30382 3460.534278 3935.294092 3395.332925 4146.698619 4125.228254 4688.294426 4697.878601 4147.43934 4373.790174 4481.469516 3782.383743 4178.72213 3954.365686 4381.702564 3709.618035 3408.067458 3887.758025 4442.958754 4494.725166 7570.341434 4326.709905 3984.921025 4339.607426 4349.40409 4776.400704 3546.908032 5496.226128 4285.404308 4240.453902 4589.30994 5006.119013 3900.654293 4624.766735 4080.08736 2893.509309 5146.690373 4978.002501 4201.661316 4455.446798 2937.193074 4067.674234 5728.195189 4791.564224 6281.865931 4784.077183 3391.505267 4257.357448 3263.246803 3005.040424 4651.238549 4502.338628 3353.659697 5597.193237 4826.523944 5133.228393 5490.891951 4452.565676 6491.593704 4990.927375 6226.70776 6415.26258 5296.889735 3234.936182 4390.258529 13.21_839.0606m/z 382.2577784 209.9629776 459.4528641 398.0344872 194.7743037 64.42181731 292.1410814 316.6336183 354.581539 2807.121604 2050.459939 3841.032525 3150.88203 3090.843282 3851.36891 3212.741742 2244.531105 3997.051307 2126.617562 4434.847821 2223.492096 3796.854766 4264.469637 3333.765859 2926.021476 6311.029934 4729.599284 2804.927672 4903.217339 3675.728002 4589.116772 4312.401294 2600.201005 4777.119145 6236.840603 6085.657614 4708.242459 2782.769357 2475.043344 3774.019253 4745.662119 3095.073763 3031.130252 5191.774429 4919.518876 4002.148037 3851.860403 3059.590905 5816.364648 2057.690634 3153.614775 6842.633383 6267.500594 5151.219377 8841.379191 2811.42544 4753.585643 6837.51967 4837.557282 5679.779443 7146.311869 4396.947831 5754.781366 2634.582843 3434.448184 3725.389714 1790.84409 2477.606416 4485.335408 3753.447852 1289.526009 773.9671265 1944.320497 2016.512878 2016.731512 1583.299662 2332.168466 1628.733837 3358.441827 3330.545012 13.21_1026.5247m/z 358.5902988 385.169429 298.0525764 289.8556752 485.29736 239.4305657 301.6873246 197.4863608 705.264413 2111.797748 1722.610029 2865.514063 2495.792857 2897.899766 2649.760038 2412.205922 3185.480819 2669.303247 1940.986158 2217.208865 2216.339834 1951.818901 2965.255926 3933.932756 2688.886579 2892.802945 3635.932877 2733.640673 2347.735884 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158.3419167 14.79646104 243.3142439 73.18485201 88.37620152 26.55256663 31.60412347 71.71424062 73.61952013 94.36869681 29.71045492 42.56115405 75.52665828 36.03214105 75.72543329 36.05409031 193.1146625 76.96850803 4.23_772.2598m/z 69.49934451 46.92850817 92.06082646 84.38182145 133.0193521 126.5249342 116.4269024 149.603901 18.17764661 190.1998927 69.75290738 103.3193187 93.98498184 104.2003869 73.12019758 68.76862103 93.67557417 225.3222091 90.70507893 59.09804071 63.48454221 141.0021229 45.35578068 96.5680039 112.3982869 53.62783753 91.81935266 49.50830445 109.7313986 29.64003084 72.26162003 83.01529726 67.80445247 125.4011343 55.76339463 55.6518034 17.50089436 225.6745724 106.2667123 107.694664 56.74092581 28.42997809 75.0788227 53.7870241 97.10678828 68.30192932 22.8666211 35.74719778 21.23091632 104.6524649 86.55913241 22.09159153 128.1734739 40.55503947 106.7043678 90.88346995 186.5650009 121.9598446 60.02689058 49.21148754 87.93007897 166.563759 98.00578268 47.77791929 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1730.217079 1267.041851 1674.074599 1674.495113 1358.044685 696.0631193 856.2349798 14.14_974.5344m/z 2273.473115 1708.989791 1657.753686 2258.333785 2386.167276 1655.121815 1811.394029 1643.392749 2266.715389 758.6451152 1101.05503 856.4386106 787.7110493 790.1244297 767.9001952 839.325356 1125.785963 694.5343415 759.1694193 609.1740925 544.7477499 534.0550789 1167.66793 1040.076832 704.195067 947.8452727 2345.201713 569.8512158 655.704586 703.8848803 523.608627 717.598091 491.2500888 762.2072267 634.6936555 701.1546194 834.8218512 559.9168818 1072.9698 673.9971193 779.6422557 645.8092504 721.9895571 825.4673147 406.8568166 741.6869929 454.7061912 744.9138742 493.650573 733.9390487 497.8463313 815.6436502 660.02885 650.1125147 908.7210315 1018.519432 721.6704901 603.2336696 792.1916749 467.6766586 722.9535304 669.8462975 940.4103406 990.9182321 635.9730877 524.7717044 524.7327425 602.5588405 473.9132482 552.1693125 836.7958616 816.7933733 838.9236278 762.6015699 1166.26265 933.333002 554.8062143 625.7700337 727.5055597 656.088423 9.61_299.2605m/z 208.2773562 246.8684634 225.5676885 237.7832228 247.6678901 282.6027213 361.9569528 276.897234 287.9672346 167.0794559 217.7495703 121.91473 170.2328399 158.4650142 112.752034 106.4177541 103.5150503 124.6532167 162.5707376 155.5947448 107.3668257 149.6717955 129.3269416 163.136397 108.8401123 139.7124989 117.7136543 142.5859352 135.7329286 113.3434558 124.3280422 120.7874899 121.1128722 104.3862656 94.695015 123.3002598 142.3970776 130.3804108 166.8481946 142.2942992 109.1738519 140.719248 118.6477728 95.65018731 115.4362404 101.1635111 146.9780868 163.5443661 114.8848888 109.0775152 86.60006929 135.9253904 155.7596871 140.702009 115.7707723 80.71291568 100.4342816 88.46739727 123.668804 90.82081006 115.3103331 143.5412212 136.9147565 169.115549 160.1917997 126.0409968 118.2050083 117.7413802 105.4695027 125.5215587 128.1542988 132.2159258 123.5328975 124.9586989 140.0296136 132.0424043 118.949618 117.5613871 134.5906215 130.812015 4.42_821.2822m/z 81.83217645 11.91379617 174.6526379 66.63831035 201.298419 265.3530949 272.1255791 147.632857 29.86979583 163.2446368 131.7741854 120.8935475 139.2665002 153.07578 33.38281841 110.2528549 186.3943105 166.3160225 117.8629404 113.7538284 130.3652747 178.010491 45.05668822 100.0007401 169.3084134 81.4838618 62.32452954 116.0220978 156.4847849 6.50918635 100.9366859 179.2220834 71.78382596 27.82766658 116.9616526 42.93248899 98.47124961 139.9961137 93.3857346 129.2680097 69.74341593 52.86295905 51.64594953 240.1105123 207.6133768 84.91261797 65.9997305 56.5203475 134.9530893 203.5744074 46.86886429 124.9300501 127.1860849 193.0432445 164.5948267 181.1235613 165.0265858 82.74565153 81.85353287 69.48177545 100.9336149 165.3814332 60.01131954 16.90340929 141.955492 110.9850825 155.4108145 156.7665343 3.25_297.2448m/z 854.088214 788.3907427 673.150936 722.5283491 1008.194541 1012.224325 821.1379799 1086.267936 871.0426361 316.6414588 444.4048523 228.6915273 325.7135712 238.0736592 228.9572131 320.3242796 490.4269937 267.9120287 355.8938731 215.3118494 188.0737714 291.9469606 199.2364515 66.10528591 247.633043 111.3224338 480.2071895 211.6723381 216.2620059 179.6531281 207.9844215 180.7520223 168.6739637 212.7766745 361.2247523 281.9252145 313.5648922 229.8018564 170.2993378 237.7295096 259.1227811 121.8554167 218.3944263 181.6272494 221.443511 162.0687146 182.3986314 239.3722013 208.900842 228.4259842 141.3557512 357.7536036 259.5757119 224.9644245 360.342797 174.5297264 267.3755575 200.5182697 277.3564995 269.0406467 252.7745565 232.040004 191.8072762 71.8976683 270.4525631 274.9995839 265.2502958 312.1411543 205.6407654 173.450124 196.7997109 260.5081085 367.2372911 231.4316631 428.4033706 257.9812352 320.3097304 352.2072267 522.3836347 209.7769555 17.44_756.5944m/z 1359.597904 1458.76604 1388.58009 1350.571856 1343.080898 1176.92541 1400.182947 1484.136432 1622.809414 3263.060657 2490.766085 2155.232626 6751.464306 4672.077871 3543.558103 3902.316811 5489.299868 4133.838928 5280.565527 3004.36022 4008.812303 5717.369853 2781.807032 5185.529737 3150.619256 4163.47466 1484.205145 4252.27577 2115.717814 3883.412992 2425.66636 2944.33892 3068.149916 2809.42652 2271.756466 3009.575893 3255.33493 2406.978439 4501.161272 3473.256506 3190.778953 3344.130818 3177.698551 2459.295373 3391.605507 4645.965617 5214.131116 4237.020946 2646.541003 4822.839932 2842.870753 1734.568746 1768.069514 1713.009106 1846.776235 1199.750234 1474.012141 2832.507367 2473.659248 1865.359722 1269.260153 2504.673523 2625.371555 3704.249891 3889.874394 5875.421468 3595.507971 5741.360723 5406.058067 3904.272066 3959.170217 3057.979469 3838.703051 4628.069163 3518.33851 4084.438303 3919.368104 3500.436664 2697.832911 3054.402561 12.88_897.1371m/z 3730.614469 1797.102413 3431.362189 3423.367915 2446.720886 2110.757089 2348.534853 3367.83478 2238.624492 6114.529899 5972.84032 4665.154237 6307.53459 5318.253264 6284.043118 4677.355496 3775.479315 8010.087308 5192.673307 8633.697111 5411.688576 5565.278889 5477.266188 7826.3353 6513.202399 7933.95027 5941.453839 8284.384532 5840.761768 5975.757197 7033.404295 5608.910992 4437.511898 4788.320394 10098.25686 7647.47528 7529.235659 5659.983927 5096.8199 7723.33834 7387.643078 4364.801989 7650.244136 5791.437285 8630.289905 8193.438175 6804.991451 5970.924829 10393.65428 6295.021461 5828.725405 10768.67408 7703.128816 11065.33669 9641.953466 5842.370945 6621.829476 8153.789464 7231.919107 8272.760291 7229.377424 6876.192055 8009.629799 7967.771324 8571.072014 4972.264985 7646.866534 5184.718537 9011.773926 4471.332247 3756.375324 4310.071633 7799.606843 5474.199778 6947.726339 3860.737256 4489.558729 3095.128824 10772.76591 9650.05661 3.44_505.9589m/z 224.307514 79.7433761 107.4761267 56.44531404 172.0161982 206.0264459 33.90929309 32.32738631 55.17601225 43.21230225 156.5500936 215.021175 144.6016499 83.37566349 74.58051723 104.2218657 97.82471564 137.1669277 109.9488892 130.3333926 27.91713512 87.95249026 31.16332475 85.93193515 77.12094721 147.3600104 145.0163841 51.07178211 67.2106915 38.26942134 138.9190553 77.75234325 13.7895607 199.4211217 66.44447819 125.5071545 44.8630099 172.7179835 91.56212818 54.15185816 119.202187 250.2614675 100.4040846 80.73083997 24.00082335 72.38229983 114.4829599 29.79276173 161.9401936 243.8776836 283.6816954 94.23098022 155.3732645 118.7344075 116.1069271 27.33576447 67.93598437 44.51424173 95.55864522 60.13254116 37.64099596 94.25736344 11.67835018 111.6511475 119.0634765 61.44607254 97.43043087 70.38553429 14.14_1087.5049m/z 2179.7917 1565.387956 1810.830288 2093.289534 2125.411593 1429.104669 1341.26216 1137.884506 2271.861066 231.6430226 893.5082668 226.3207984 579.6070607 661.7858362 320.4844099 319.8404635 1531.807276 320.9617627 553.1986002 441.2397359 407.0687388 264.5297923 521.2565329 758.6327601 476.5968629 548.1969924 2037.933408 265.0411025 276.0253121 305.4390056 368.3394854 439.1343685 115.3669405 256.7843905 255.9021915 311.2878477 372.5845624 196.820503 1206.660553 358.4894813 720.1170192 520.6925735 344.7482858 372.7857975 157.7412859 331.3426753 257.6696953 504.3787154 209.2748037 517.2509142 310.1865386 117.9878948 158.8670057 157.7781117 278.3725015 410.3803317 152.547242 45.38171892 130.8278017 86.37576254 231.6761693 300.9273451 462.6081483 834.9743241 527.5205262 338.1610858 192.7283285 556.1339958 331.2056017 377.2322416 471.3843294 593.7494104 519.1141402 925.7503641 976.7748334 670.6001059 534.7939254 678.2149639 485.351076 480.5435258 7.41_752.5177m/z 12.27238065 73.3215811 323.5211351 188.4655367 384.9092125 106.9032797 39.96469357 335.1269475 137.7270787 167.9429452 245.890563 178.2542742 169.8393254 235.9059079 259.130032 165.79918 12.92655669 123.2531009 391.1908245 129.0167142 73.96727116 285.2359677 208.4931885 545.2906599 186.9379513 67.93588607 182.252757 226.2845579 307.5960213 80.99910843 324.8292521 170.715445 132.0161075 62.69746949 53.27304575 68.67758223 157.5479118 85.08481702 232.6127402 186.8889143 122.7993341 243.553809 216.6121299 249.8630243 1011.608193 654.9031906 520.6787359 364.2087834 40.51487636 108.0694252 28.82313388 46.16509224 263.6003908 115.4985961 131.4629191 283.2752652 194.534336 160.2971212 94.678122 26.81743359 163.5922731 151.3989847 159.9435156 312.2663112 106.0763381 94.189047 141.4934916 3.51_503.5438m/z 26.64877044 43.82707116 53.327765 51.30797293 48.45315255 55.80967226 34.96749491 43.6369713 49.4163631 40.40138668 22.73541705 84.08257267 16.41043069 51.71898216 43.79061646 71.96056353 132.6928123 107.4499326 106.4407838 36.19169293 62.3387836 57.5534078 140.9586614 132.6553551 60.60876373 32.86047766 97.46274401 36.22633482 92.61435876 96.02644769 96.63581344 96.67940469 17.83683362 103.0140721 50.3766102 179.6116555 36.11260992 77.13263321 62.7458053 135.0878823 117.0737539 161.1496254 40.6111458 165.1727802 142.3738552 85.33903977 103.6611945 136.0433985 78.15361566 42.71152059 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469.9628372 384.969026 292.6398531 431.2369405 321.2410435 165.5069441 154.0234048 203.4591468 436.4304979 444.3482138 6.74_481.3347m/z 682.6545095 658.1148563 773.3585755 754.8875227 638.0547559 471.9850486 615.0536641 788.0142649 742.3449376 312.4181971 438.6894315 283.0176427 293.3258573 405.8652626 230.2788608 209.2405334 382.6025082 327.7795943 169.5663329 340.9555181 310.2283861 388.9794463 339.8346266 356.4803584 358.4525499 252.1695555 520.8427601 333.414322 269.1218625 325.2353984 283.6746891 212.9103822 188.4133892 299.3849187 240.8012543 231.0505453 368.0587325 263.260543 446.464451 384.4539161 208.8998525 283.4251795 281.2087339 300.6154404 193.8666873 257.6655424 251.9891004 188.3284005 259.5942601 265.5658804 126.4173149 195.5652514 274.3038445 154.5475091 320.2916786 212.0040273 174.5516564 295.0300872 229.1246054 114.4284996 325.1174321 254.1332016 283.5430381 189.3376415 376.2748854 220.0459899 214.7210446 257.4153411 195.0096753 336.2920607 384.0219476 389.9176993 321.1420916 347.4446878 312.438626 327.5100699 253.8479561 293.9580767 297.3651861 366.128067 3.90_594.5346m/z 150.5096646 47.90909361 81.36416821 23.65866914 84.37521991 114.3724651 53.81119437 107.5486353 63.36387246 115.9350407 11.3855481 47.57715239 222.7512626 600.9984866 142.3824388 282.4347896 82.5924758 40.16369256 101.9580024 244.9054006 118.5366903 111.0538936 183.1624104 105.7845891 70.22670445 124.4146803 117.6153667 74.76387173 302.0117752 62.93695966 184.9192727 74.55028044 286.9638207 17.79064518 98.23986313 572.58784 691.5676536 677.5502815 621.8016369 133.9900169 344.7030997 271.9523079 97.49912001 85.13746721 143.3458558 335.0762762 268.4073002 14.93640671 93.28108002 87.64695261 32.561953 33.44793366 12.5921267 7.382402976 211.1088362 86.64302019 15.33_823.5824m/z 96303.35542 86197.59046 93789.46952 93350.6588 95827.64819 94513.21658 94521.32514 90669.38175 86415.80793 51307.57256 82910.96172 59619.48623 71042.99234 58599.73856 48792.86558 48726.06244 75576.44089 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2725.240055 1041.827716 1639.659725 1028.519294 1075.778769 1246.662566 1326.259426 1543.501196 1414.038187 1211.764757 1174.592046 868.4838619 1798.738805 3061.650047 2249.94095 2520.485385 2104.759651 2066.157358 1970.933283 2221.582581 2408.137766 1607.010818 1715.431692 888.9134693 1453.973988 1424.538202 1575.37589 1773.222639 1690.169328 3039.386862 1655.539378 2079.732063 2292.051812 1908.887545 1307.950533 2386.350179 4359.893261 3153.197761 5153.51098 2984.377155 2552.060378 3841.195325 3562.817316 3216.823985 3908.230294 2429.039798 1975.304278 1496.45961 1604.904578 1670.347524 2000.157724 1788.531255 1724.437286 2173.738452 1209.022091 2173.61053 2057.653873 2581.702437 1693.608536 2291.128699 1749.366681 3051.694626 2101.066021 1309.423482 1305.327335 13.61_861.8907m/z 72.32750596 221.1382746 89.40168081 179.5676909 107.9244114 107.5390698 187.5042342 101.3264399 227.8139323 23.74131464 27.53380709 167.2342398 1087.177692 646.0178327 450.3349279 315.3123075 501.8071043 693.839986 939.6012476 841.8814249 314.4327195 516.0641033 112.5601157 179.7780686 133.588391 287.6312927 391.7318117 359.5476544 79.11456085 171.5955432 68.14490049 869.4171682 271.9091406 1880.342753 1151.304424 1162.167004 1278.184056 1283.168081 1345.043143 1382.811653 1251.340717 1677.577093 1629.403765 408.4765472 537.4428865 49.83068408 38.31879188 44.9836693 126.2330331 19.50154047 14.64535666 1.815408702 0.102201895 144.4088534 109.2199447 14.28_1092.5374m/z 327.180305 403.7891921 454.2747127 506.1994877 511.4665641 490.166857 463.6100211 383.4730843 546.9764776 283.7581289 1017.939711 675.3325421 444.9099078 199.2129762 66.93243865 722.7537588 137.6065724 620.3288167 263.6868073 267.3645995 296.1713667 342.1889871 451.0817775 238.2644982 391.1732685 1354.857963 131.8820433 53.7948678 54.81166522 143.9442602 305.8500758 80.55278397 163.3512206 98.65335917 58.99479454 390.6984236 86.74393582 889.6646215 217.7356966 429.5005522 260.4332031 86.28808713 142.8957417 58.61165588 50.8809603 80.11139575 352.3328457 65.80693914 128.3791368 101.8228615 25.5213775 76.14969916 122.1888965 95.27604697 123.2064625 735.9863749 90.37390124 172.4456387 178.8729393 331.6634375 165.2203204 233.2772026 662.7959646 733.6077793 455.6943356 545.0977792 849.4243158 768.0248694 334.5442054 515.9352061 422.2505949 243.7039175 5.89_1278.6633n 304.3529138 273.5572691 178.8187129 321.8614675 247.8416795 344.0024193 306.5128702 448.3018784 482.8928819 659.5389379 1159.459789 1515.329575 1123.83099 1788.120361 1335.989469 1536.781676 1432.329687 457.3381857 850.0053766 1231.371512 1384.9308 1043.89395 1336.650291 1017.906293 1540.545121 1031.68204 1110.598549 1502.761626 485.3500213 869.378492 822.9784931 1280.041203 1135.180567 1477.785954 1055.695895 789.1733545 1038.056382 811.3709477 1242.500657 942.2850157 1113.715224 1269.29555 1263.549254 1112.726675 592.6962528 1599.768891 579.8613144 952.0262109 1279.451118 1300.755919 845.8723669 843.8423302 736.8708218 567.9415807 839.6729357 1298.047078 1829.635757 1007.465032 1008.422131 538.3291186 994.4404485 875.8602523 1071.104476 1222.045478 1107.470444 1305.024068 846.4732479 1503.457904 1433.622758 1642.592844 1229.124923 1667.222569 1536.165453 1401.089527 696.2719574 1159.779733 1151.63666 1190.846596 1263.266976 1503.735807 5.89_639.6791m/z 450.4091913 109.2660005 445.042206 297.6895743 494.5598748 535.7798026 320.750443 22.72207664 196.4142498 401.6065725 528.4494614 285.5726255 279.5065417 52.21087264 375.2796915 22.34815366 227.1127214 376.6961272 334.1621256 374.6403613 346.6751026 336.3110434 276.9532795 152.4273699 45.05297059 302.5970995 477.1654359 488.1134817 68.21220965 212.0265114 271.3337237 271.7707188 541.168743 385.7912088 515.3206512 93.25141369 191.0207406 352.4367283 429.7722624 294.5663731 458.1450939 401.2442029 78.53787556 359.4892776 378.087013 34.94002745 42.35671428 30.46194579 135.9995912 695.7654661 642.9914771 127.6227249 583.9030909 133.8251903 322.712607 326.7077093 130.8762385 265.1183623 187.5020658 126.0861662 175.8571242 155.9054598 25.23175716 124.3706383 116.926377 68.16073828 110.1545312 522.2885703 6.63_582.3807m/z 4809.5377 5167.745483 4944.662109 5187.99277 4962.129727 4535.722226 4755.065557 5883.166669 6379.808973 2282.018403 1584.378936 1855.335971 2245.309958 2543.881978 2212.195091 1756.219707 1717.098434 2046.952586 2190.328418 3243.299334 1900.477474 3247.846958 2583.142745 1863.117985 2361.021504 1071.88105 578.6916269 2916.794603 2533.807818 2716.41009 1867.292711 2064.654224 1532.968231 1597.391864 1316.040699 1066.662227 3040.888006 2643.56718 2408.205084 1875.757061 2454.918782 2585.567137 3317.245648 1824.408265 1744.424378 1509.980044 2136.699782 1839.606083 1629.680165 1417.412551 803.5989884 1606.644657 1667.435556 1781.509629 1139.661589 1013.683295 1425.459148 1322.129427 1689.248558 1290.19248 836.8195679 2079.02289 1881.717013 1756.76334 2404.169443 1843.171254 2682.569513 2493.978529 1517.356155 1643.024436 3882.83723 2755.915347 2858.1939 2531.525106 3759.809797 2801.470578 2488.582031 2066.172078 2582.08321 2749.366487 3.25_694.2362m/z 1.609610095 4.229891012 71.41638548 120.272453 52.08437084 245.2805301 290.4044538 211.0008481 90.99020986 133.9191602 18.80153649 5.30518335 145.2769277 71.87462015 94.96350159 79.27504825 63.38433226 333.599596 20.62744025 30.44776 253.6323299 64.75637223 216.2729469 51.10377232 156.9593213 214.5442045 151.0906053 57.96239725 28.59165323 41.4145669 13.99783885 106.5474468 218.3102267 202.2168431 251.6762672 2.563910102 56.82702013 1.205861547 43.22721699 44.50884734 91.16391932 142.2667732 20.89215163 0.822722677 4.966717685 16.97706988 137.424399 223.7980103 76.64807212 110.461254 241.3030891 199.8938817 61.59874099 18.50030175 132.8216072 12.63621839 127.4366697 187.0837116 274.1689336 171.7206783 49.41159997 178.6161026 123.536588 308.9990521 207.8892741 299.2014905 292.1408116 461.0990476 310.2567557 88.20274254 68.67342705 14.99_1224.5111m/z 177.6615984 271.0684656 218.5588888 303.9542556 290.8897643 99.19398034 266.4758712 212.8533093 478.2389802 673.7028679 1078.560099 629.0509134 715.5091985 689.882724 777.3830464 690.1425272 929.0034258 620.1093881 606.8967543 700.7442895 794.2439725 575.6616211 719.1943536 929.5271584 671.5768636 542.688404 1387.698604 509.080659 482.7311176 343.4920672 435.0482705 671.2121051 415.7535939 645.6835076 507.1109326 581.1707282 749.7119486 481.6621344 844.0107276 538.6986765 667.8937983 596.6827852 478.1753251 723.4020168 361.9471079 665.2060876 642.6292712 763.7539267 445.2747847 658.8835756 813.3754392 361.8540334 525.0479601 485.1873483 510.8767172 950.3971979 461.7684837 436.9046239 496.1326544 292.7545606 327.2519809 423.2780458 766.280041 1144.208674 623.1926267 680.2759849 539.0575899 676.2136791 607.6718748 607.1938086 340.5121001 412.6216938 194.0284547 421.6009635 369.35734 367.9539729 220.4170809 238.6021133 733.1667841 823.1999393 14.14_947.5155m/z 509.128386 511.7936149 414.828211 440.3500661 561.1259638 326.9094396 475.8213054 146.2945933 453.9403246 190.4890112 306.8170435 157.1259306 304.7217683 189.7699037 178.9043139 175.1050538 338.6827926 161.5310582 251.2636195 189.3012101 136.7136516 177.3337083 329.0262693 375.7689926 177.0163504 416.704199 586.1021125 119.0939486 105.5950346 173.5479112 219.8225071 215.1021134 153.6174496 151.8920403 205.9801827 142.135875 269.2227566 92.96804963 300.6178524 210.1233317 238.9100059 270.6232162 235.3742816 223.8723039 169.5398459 248.4026817 184.2859838 239.6004759 180.9340068 289.1383241 221.7219488 59.06500001 35.48902001 74.90210167 110.4941421 166.8447229 79.84622908 77.63724745 95.39592329 50.11410601 55.8838961 199.6532468 217.346398 293.3548776 257.2240268 306.4639683 183.2384134 281.5152222 280.2147198 293.8583091 215.7990131 199.6268548 226.2758653 133.7783456 302.2948818 252.1783173 239.2402838 164.8656082 251.7101607 144.2844941 21.58_1095.9097m/z 2601.654139 2754.971257 2927.844639 2713.965851 2993.908591 2881.1346 3183.120473 3470.019225 3661.645657 1272.388272 784.816101 1194.627882 1992.025701 974.0924551 2096.507286 2002.903235 1152.767645 1699.631933 1335.259979 499.0780093 963.3142684 2560.58209 904.4112678 845.699778 686.9417993 1045.674645 247.8938997 492.1907798 754.6613424 1341.601382 718.485879 1020.718855 969.6543344 704.7891413 822.9773615 584.3381657 991.4751746 808.3667887 938.9856451 750.715567 1012.610329 1170.081446 912.6770239 720.7699549 794.924048 982.8075714 582.8910377 1008.839417 750.7751354 934.0227099 864.4142145 963.5970897 898.3099325 1241.941834 877.2065071 899.589252 899.2850788 1300.847327 1597.080833 1702.183265 868.3063414 838.2418824 520.0534006 727.9791453 884.7456931 1475.065574 1898.426949 2003.331101 1088.146801 1656.459923 2138.805241 2400.24074 2360.500556 1885.405997 2175.937864 2047.437332 3113.837351 1735.204518 864.6294243 1101.494798 14.60_1017.5412m/z 3750.480686 2474.260889 2983.805968 3106.143332 3374.498559 3516.321744 3055.073496 2697.716267 3255.530504 1016.190488 1968.829537 1427.810173 1436.40479 1187.621827 1164.586759 1222.457153 1729.934352 1310.755214 1521.615033 1395.174427 1281.174725 1172.110936 1353.579025 1739.891335 1417.692193 1583.04556 3552.330369 1135.119975 1107.423513 1084.430999 1220.048192 1352.39125 1109.767806 1728.637021 1231.981247 1253.548255 1404.295158 1061.35397 2060.167496 986.9512938 1604.090367 1426.340808 1123.303873 1182.087203 789.0248716 1660.922809 1330.008191 1438.108861 902.4919717 1345.071109 1393.680748 1149.782872 1196.560193 1069.65177 1557.9152 1957.527164 1156.54529 1290.538972 913.1387384 983.7199942 1146.695656 1190.94671 1582.294631 2092.416793 1015.265429 1246.84568 1108.344272 1241.4195 1235.191696 1196.771824 1307.013027 1260.690338 1026.502979 1206.613254 1401.223232 1588.10162 1016.293971 882.8131247 1175.905422 1353.762206 7.89_403.3083m/z 15148.87595 12039.74521 8951.756777 9740.773467 10172.09153 12600.37798 12876.91527 11630.66256 11490.68013 6937.238611 9953.881996 7404.343841 9345.528128 7865.483094 6904.58965 6430.085717 7266.49534 7299.400151 9444.071193 6442.260148 6671.36281 7023.324287 7778.690064 7627.161195 7375.005283 7037.838976 4572.219511 7618.096541 5607.935361 7141.869553 6216.682537 4430.442439 6735.578011 7526.883111 6044.399466 6608.536379 6242.120245 4668.886017 7720.396764 7606.817698 7059.540711 6513.069533 6821.596174 6217.93747 4436.026907 6416.468542 6699.880225 8252.051018 6147.362097 5722.516392 4433.935148 6184.444711 6299.255103 5814.102587 5667.698447 4940.969239 5491.865117 5953.402453 7149.810401 6068.980827 7308.022606 5729.943613 6178.097588 6754.418341 6367.165956 6122.31296 8109.270961 6513.466604 5418.930907 6273.316868 7633.422796 7388.301341 8344.878957 6861.590688 7598.446978 7175.237686 6744.532512 7133.467371 5856.860859 6416.321929 12.40_900.5353m/z 1892.101964 2288.14969 2098.964815 2174.840281 2356.222609 2042.20688 1711.859942 1933.364292 2931.212986 1339.89172 945.0040973 1286.09532 1290.159047 1151.134419 1322.331436 1299.099786 1509.192816 1429.241491 1196.190682 1272.016792 1284.097773 1286.359209 1487.965179 1912.544198 1489.087346 1701.240586 1015.300969 1344.680575 1346.956568 1500.308907 1495.750287 1508.692864 1124.872545 1214.692485 1240.448591 1055.62852 1562.570179 1287.477375 1899.974202 1524.92056 1321.413477 1404.777736 1400.589488 1238.274704 1008.163154 1515.098036 1430.472128 1318.19199 1268.984516 1783.398875 1283.90786 1023.702672 1296.514182 1189.175099 1171.592901 1029.329417 1147.206933 1018.078746 1168.428689 968.0899714 1055.480278 1189.265453 1359.383351 1604.691734 1371.374526 1329.476382 1434.789736 1722.579199 1152.030019 1497.30266 1726.095971 1848.844846 1638.325305 1551.883588 1887.963633 1765.808663 1417.886548 1527.477141 1539.873525 1617.901788 12.66_1048.5081m/z 588.4387711 1165.650079 931.4031934 938.9865537 1348.556573 693.8640096 599.4244979 809.5759366 1028.888886 1805.218105 2808.276652 2181.749751 2029.908909 2504.266291 1958.341937 1439.026411 3126.404291 2215.709971 2218.653526 2021.73093 2054.133517 1756.380236 2515.711894 3239.797739 1928.583633 2282.071501 4993.950679 1806.71666 1320.340672 1679.187516 1907.907333 2042.545194 1168.916656 1828.320793 1379.677207 1373.041776 1748.70334 1431.166013 3003.519378 1812.56744 2112.497449 2345.88827 1895.545099 1916.712022 1258.671231 1944.778968 1506.802788 1628.055509 1127.423608 2161.931769 1334.353446 1286.270259 1436.605493 1484.026199 2076.215224 1731.770247 1374.502972 1231.436094 1640.016642 1089.544757 1627.983124 1357.159586 1868.407566 2908.234661 1674.579902 1921.021469 1725.42787 2321.047308 1635.723809 2433.099248 2080.861963 2210.647813 2412.598647 2217.310504 3133.613729 2365.625227 2130.230015 1963.143716 2170.791528 2332.646623 11.68_750.5435m/z 864.7914351 1222.387992 1151.152627 1029.013392 1212.098778 950.1413662 1005.062258 1087.162677 1438.350625 507.5266958 236.9488684 503.9020827 290.1259612 378.1540306 448.2394543 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528.5906505 926.1117364 445.0526989 882.8572961 173.6578892 363.236908 592.9515826 495.6076354 745.0180349 450.0334307 416.277442 925.9914214 705.3222013 757.4558409 701.2562578 926.5879625 592.7136021 690.3493925 690.471169 1050.670647 1308.316981 809.1769295 491.7349626 652.0381425 417.151775 677.0228662 676.1949742 768.7722398 1000.538295 503.0740864 579.7046764 933.9275201 633.0975079 447.2770502 1149.358584 259.5195931 753.9027104 1008.073739 2302.950704 1526.73346 2523.622932 1024.439084 1374.933563 2352.806151 1171.76592 2316.914446 2184.655272 614.6001758 694.014803 737.6761084 421.9846354 416.8975307 353.8283916 288.9446704 590.3293322 440.1481956 472.4177211 1017.614853 1292.851135 943.450168 714.2260504 1026.97394 616.3699881 495.4023546 487.7421761 378.5301092 14.75_764.5842m/z 1612.356064 2121.038039 2272.262865 2229.63636 2348.011618 1609.602656 2042.344844 2088.869892 2351.212235 1624.586611 1054.556468 2005.857604 1342.088878 1209.577795 2298.072198 1955.767695 1854.915573 2332.116136 1506.895241 1136.322949 1330.646417 1439.065027 1476.582959 1288.841304 2245.923943 1159.780745 611.5448143 1531.866413 1198.621325 1632.41196 891.8409461 1215.875458 1419.495709 1937.27258 1474.153957 992.5749073 1645.733696 1565.124762 1029.161723 951.7979691 1141.381134 1456.546192 1449.127875 2299.200568 1548.635423 1408.369697 1303.631096 1179.26397 1365.989237 1363.045202 1619.588047 1378.551933 1399.683459 1353.214106 1193.511734 1279.634353 1357.475301 2451.645201 2010.064317 3736.292548 1655.559163 1175.010026 910.3390228 1036.603767 1082.12678 1525.867246 1600.130906 1869.334029 1479.698583 2468.715127 3590.283342 3953.916832 3322.897094 2950.644806 2602.747672 3722.646337 4206.814053 3204.958181 1322.750612 1110.734692 13.61_740.5266m/z 408.2009532 585.3451281 460.5037759 503.8699301 527.3650135 282.3864565 491.8643495 439.4754709 723.094185 2092.520518 1711.191501 2623.392563 1790.722121 2331.216887 2233.95752 4507.058052 5615.042078 4304.572303 1950.8552 2844.23658 2956.209296 2773.481578 2021.871607 3928.662145 3334.665315 4091.904862 1431.061076 9471.890361 2784.628891 3426.69755 2081.58051 2497.391988 2932.81075 3904.956237 3321.769204 4451.69865 3995.193617 5144.803567 1759.02565 2096.469943 1495.291604 3223.324119 4186.2482 4897.693939 6556.88465 886.3068003 2013.997221 1356.756675 2134.851149 4047.977893 2575.656681 3433.92443 1942.742018 1196.21667 1154.330691 2685.843049 3942.170437 7560.475086 6052.25922 19376.79068 6770.732624 1440.250526 1229.656158 2419.287888 1087.516235 2730.725837 2045.237554 3164.947556 5850.422118 5576.466221 1842.853552 1251.822056 1557.321421 2783.430813 3387.927877 5724.11532 7867.327639 3339.699057 1577.105809 2349.911322 12.63_996.4944m/z 273.0259731 894.2433331 1242.774129 821.8490651 987.136038 988.1162845 1165.552747 830.2556241 1421.270806 1813.074494 2466.953483 2244.385515 1687.0695 2360.056928 1759.181428 1292.672424 2810.86972 1683.954847 1974.275644 1856.676056 1853.370251 1712.968022 2279.76393 2852.148165 2182.488125 2947.399759 4524.217273 1577.631532 1154.744142 1510.130162 1507.804284 1502.212737 1314.187383 2039.921903 1489.196268 1186.501411 1770.752268 1319.530107 2966.074945 1716.169243 1793.380666 2216.352001 1780.266033 2018.475765 1213.63529 2014.493394 1732.086785 1585.874255 1416.991274 1971.926842 1137.16031 1391.38521 1512.865849 1336.63044 1758.458212 1650.542394 1448.953472 1778.34948 1581.451364 1015.804839 1743.402671 1132.642519 1919.868148 2758.174132 1780.830992 1523.181303 1840.524267 1681.34562 1581.138087 2351.503994 2442.727641 2328.543698 2670.582737 2464.404684 3195.273775 2278.195654 1617.864104 2258.309326 1796.09637 1796.443264 11.25_813.5414m/z 438.4034819 563.5506934 544.1305744 503.5591858 473.6678498 314.4736655 334.4846072 405.9294047 592.4296328 773.6298502 360.3083719 692.4638788 745.9452863 648.9960675 1020.967145 1057.858766 801.7731116 897.772834 618.2548817 684.6691598 1002.619559 911.4751199 826.9084106 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1211.020515 1339.121482 1234.370599 1217.904125 1769.331201 1764.537498 1617.526383 1306.151813 1214.081829 1621.903478 2308.344979 1876.129469 1979.75377 1574.622597 928.1808804 807.5089037 841.4988211 883.2091785 1165.60262 1041.00772 1331.386044 1252.023782 1399.098317 1915.477841 1553.113684 1642.356485 1382.53469 1137.062197 2311.137336 2175.026855 1810.654066 1037.34628 1066.363708 6.29_463.1364m/z 765.7499074 695.9487819 538.5970786 670.0886087 444.8226246 429.8948192 276.5855333 578.3704612 466.7841323 163.891227 63.57974923 46.79834523 46.87839258 141.2159711 68.23364466 62.54145374 50.45050817 42.93020778 35.9734936 435.7574219 364.3232329 104.0271757 52.61089869 62.92687519 210.5955485 12.55167944 19.29073763 340.1604416 162.8161842 115.0153961 61.01915668 52.96521931 80.42639337 77.12885226 71.15127171 26.54479289 184.2838593 311.7543334 84.51640279 168.0708379 49.82140622 91.59448946 86.65278435 59.60105328 193.2039885 84.21941696 41.21047833 65.94990409 161.7085408 102.4273791 33.82655156 64.04870743 68.49398873 22.48057022 32.43235732 21.42966743 21.05426565 59.55306903 20.11497525 2.228009311 16.18356501 161.8912498 171.4060014 76.26383386 199.1256885 97.96845345 50.29881883 103.8348688 59.06685843 48.45056318 206.3121384 287.9013877 124.94569 116.9345637 88.73649446 122.0374699 55.58218414 43.83516464 184.330741 232.9339922 16.89_940.6899m/z 132.0548194 269.5260756 175.8987976 259.0097249 433.6153909 291.2298958 143.9827082 220.8282133 332.3296428 22.74093716 89.51218026 93.37947805 77.62360652 19.3249359 75.24260093 190.4283849 86.3817236 37.38927277 54.61960017 81.85413541 118.4622439 26.89748706 85.56415785 149.4870188 20.54299299 181.442933 53.04608722 179.908179 225.3124354 177.4960073 73.19252757 167.845702 60.36146862 137.0342786 269.643417 138.8337745 101.3454849 140.6581811 36.52678015 87.87627898 92.18131734 148.7082656 226.4776102 146.2165893 244.5297043 167.5026512 162.1936122 180.7328852 140.7485987 110.2981099 174.2577013 269.2637541 280.4498476 441.1916499 467.0177803 348.9179664 342.7884993 368.7050547 482.5024675 332.7248704 305.5041619 142.5214067 154.0059879 60.73971746 146.937411 118.6828739 31.21576305 134.5301616 214.0933012 123.8974993 225.4378025 156.2893965 93.06935808 144.0629287 120.4559935 226.2212679 128.8578284 149.7375567 151.2790261 171.59453 11.25_847.5218m/z 249.610202 206.5781812 230.820489 210.5211298 244.5368679 199.943839 221.3588251 201.8768342 356.3078755 318.8431132 218.0026335 285.1558233 349.0681581 262.8953098 423.6236064 455.9542013 386.9508718 408.5501308 329.9877254 318.4825374 438.700915 414.8418897 324.7310273 553.6830219 313.388795 474.1704143 203.2962865 343.3726241 358.2709015 341.2097973 362.8032278 402.4040996 402.9842469 367.086913 399.9126202 367.9887977 337.5259876 379.4724676 397.2585321 338.146714 476.1769742 398.0888364 396.1096692 270.8970862 370.1946439 395.2084311 375.6112291 292.8000268 326.2610984 459.7247353 396.7054961 266.4303142 248.3310381 403.7803234 242.0096977 281.5800733 333.180883 338.2246927 290.1236535 374.8653399 252.8640734 433.7466072 311.5715796 301.2057949 337.5392274 365.5416338 508.3079502 475.5505692 481.369637 444.1801946 483.0642044 452.0762104 500.6499891 503.1740323 522.1837623 580.3111117 556.6293967 460.2053536 394.3020702 342.1922646 21.22_1395.9358m/z 7713.190115 4631.486988 7439.826968 5157.815687 2725.904762 4906.052174 6860.032019 1200.316978 7626.687301 25.76119587 3.741284721 45.01551332 38.89540222 25.10791335 62.84232917 2.68262406 108.5611732 29.7011124 15.80060399 40.40715106 2.552268914 66.46593068 53.64369494 10.4953915 29.02858041 20.21031436 32.25330683 45.61662681 0.702730826 60.39969118 42.66470595 28.86351366 80.56641367 109.8124307 252.0585552 150.37204 23.05522573 13.87883745 36.70054565 56.68537793 159.7784156 23.97247549 30.32404072 46.18227238 298.5231246 34.81872869 32.63141356 33.18302811 69.02732953 28.14659266 70.86266902 21.92597441 10.70909543 227.3364031 16.28610942 16.9632877 43.49612409 7.268707509 44.97699009 12.77491343 14.28_1058.5558m/z 604.3213109 617.1577658 600.8993946 572.7104675 1045.006773 533.1462793 512.0097248 468.7457717 1159.570721 876.5441028 2003.516954 909.800778 1571.513009 1390.164909 1139.521573 595.4024991 2075.513392 1054.096522 1845.16876 964.9706736 955.923654 929.8056935 1476.821332 1364.664411 1226.112163 1320.336928 3573.834019 907.2028947 592.2904621 823.3353838 683.432045 976.202272 389.8262819 896.9144262 309.5192806 556.1269928 1219.138607 444.8935737 2477.722656 858.5390578 1447.217273 1188.120738 724.1749226 794.4413421 173.4033784 906.4121665 683.0532675 1359.720676 263.1703824 829.7599931 346.0372015 217.1535401 292.9519391 303.585793 581.2130696 852.0969295 255.2580917 105.3199753 448.6356598 122.0080886 442.9935181 580.734176 932.6848817 2005.393853 867.8124683 852.2126309 1024.82824 1176.242787 791.151924 1079.233672 1592.702914 1713.18085 1007.550142 1163.84167 1939.458667 1715.764627 1035.398943 1455.412921 1534.020355 1071.769541 12.40_747.5688m/z 114170.1049 136753.7715 124184.4998 125259.8916 121950.5276 101037.1586 100657.1967 118764.2951 140295.969 84768.92692 55519.01413 78071.10402 69921.74245 65679.78621 81995.87136 83931.21484 72405.89141 87583.43127 75464.83759 70650.02206 74312.30429 90195.94962 88450.12609 91405.76112 86147.3696 76891.72264 46117.1119 83500.07368 84648.92493 94476.87634 93241.35869 84983.37795 83911.42216 85916.94221 86651.7174 67586.27014 84557.7575 85286.69187 96949.65733 83686.47062 81764.56841 85216.88247 92994.20955 74485.68767 93133.26389 92425.87385 105144.3804 82945.57518 95409.87515 97659.40922 79274.74888 77977.61478 88284.06007 102982.8101 82670.26185 61645.20876 107706.7122 117884.5167 101184.2946 127355.1376 87281.34339 72034.17122 72382.16566 84807.19473 82780.38294 83338.22435 102676.2267 99019.07738 80549.47459 93930.40892 124497.4217 121934.8357 114769.9967 105457.6196 97354.88259 113666.0324 117703.1135 104199.2398 83874.22811 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2883.009217 3385.603528 3560.967113 3781.268177 4114.609687 2556.681882 2862.57542 2886.77397 4914.595007 5562.098302 4266.851444 6702.070794 5001.824083 4681.164468 6460.457914 6576.248317 7924.353625 6805.552069 6104.50044 5252.572755 5859.523827 6881.548301 6943.651637 6882.112834 5232.811772 7076.111768 3835.298787 8712.540579 6528.80376 7069.440944 5492.740784 6116.074887 6755.137758 6917.097616 5739.994712 4551.360612 9250.874653 8438.175556 6609.068495 5692.220449 5015.858209 8387.259524 6671.92086 8107.687008 7544.854692 7450.393167 6079.389571 4925.144751 6165.584059 7228.626226 5296.846465 7986.748469 7779.657875 6446.76083 6200.251852 4591.79782 5596.929585 10527.62077 7636.918142 7443.201009 4462.866717 6355.588616 5914.891061 5402.94149 6210.048622 8130.863597 8164.38959 7161.940362 5757.842188 7466.188609 7403.976955 6911.809655 4739.719971 8379.148064 5968.891372 8612.075356 8205.182562 6261.250626 6055.807286 4535.677756 12.28_675.5234m/z 365.043432 452.0469536 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1013.511251 1161.016368 890.5013344 719.3056312 1040.067783 1008.720134 972.9072356 1153.072162 1395.128834 1604.734709 972.6977051 1120.368859 1056.147166 1195.515038 1124.757934 777.9621317 787.3836869 1246.1593 630.7617941 810.0197096 886.0518742 806.9487217 1132.662835 806.9730635 1020.70557 1024.977209 1298.900889 950.1736396 1521.004665 1235.198393 985.8070539 1096.013948 1012.242645 960.572033 7.89_739.5704m/z 933.3763733 622.790603 445.4074049 518.9283555 635.8074559 868.5948342 668.1986751 663.8116184 657.3968936 262.993046 382.7919164 312.3122529 346.6673535 345.779326 339.6653289 363.618098 301.4000099 272.2678429 464.7104336 280.9811107 347.4017354 379.0014176 351.9631969 274.6102015 342.0084208 198.9984969 68.68008989 317.5392998 284.1682212 298.9888229 270.6630838 204.9522468 382.1024819 338.2926677 303.1767993 274.8483393 296.4624713 316.941665 349.2638899 392.2596676 315.3631956 148.4038953 245.6857651 173.8927409 213.8702415 272.1026684 310.0632628 410.4163836 277.806588 327.742944 249.7072999 279.6492019 328.8670197 277.1761535 189.8189325 270.595074 252.3918048 288.4627372 270.4568194 232.0445082 374.1520224 233.5248505 182.4078841 269.138763 337.8923639 304.9266417 441.0777976 283.4328513 300.6975081 207.3914128 318.689202 386.5966078 222.1941011 315.918743 220.4274965 253.7716108 249.9668538 340.9719199 253.3909388 302.2471519 21.26_1421.9522m/z 5501.528704 2977.510442 4949.265189 3289.349902 1613.105171 3689.726914 4512.352267 1138.175807 4635.988046 48.35166883 52.41848974 40.17987192 60.20157892 0.511856728 55.62581035 172.8735842 0.05531468 12.37580053 1.38342182 35.8648734 13.90786047 113.7380655 39.76370032 2.175226616 4.518754727 39.62996948 17.90650745 58.05227073 27.53331949 1.372199272 194.8801353 34.08266126 43.35119991 3.215284284 243.3258853 49.27926061 126.4884467 195.274946 8.806340357 0.011403728 17.7054679 20.49389555 62.0539801 4.18399563 67.92675096 103.7737095 31.79869961 13.54577717 14.75_327.9223m/z 94.22235969 59.72120894 80.21028349 101.3459391 95.05280621 68.35051737 120.6136319 117.926106 112.8928545 24.45564832 89.3205459 13.32179391 53.41426472 35.97335263 29.55879004 37.84001382 69.80458111 36.11553903 43.91776307 24.09880674 25.49290337 27.84152774 29.56259391 36.02526107 30.41726442 46.01153395 102.4653837 16.07301048 21.24958889 20.37762267 27.72379286 30.92138319 18.82091085 31.10563635 21.93930103 30.70689189 29.78948281 22.90020329 85.31013719 34.91042987 41.70458814 36.63509917 19.57268372 26.7244804 15.87727135 13.1987371 9.516571957 39.47086133 11.66714493 32.16982404 40.16734564 26.68060095 17.85528552 29.63841275 32.79720464 46.2637791 27.67040501 5.953059792 9.370623309 15.06698989 24.95166171 17.79354478 26.97613373 56.863793 26.70983156 34.2019982 31.66085501 29.4984715 39.04074555 29.57875981 45.55716729 43.75937679 52.822283 37.85962907 78.01883447 42.56968426 26.26195383 27.00794341 31.88688528 20.23021289 15.50_1095.5353m/z 1180.742143 846.2287675 794.1027583 1018.661525 1349.168156 526.6154564 845.4370154 878.1036752 1114.484165 295.0646028 932.3495814 200.8253226 413.1229083 502.62171 256.9788206 265.1000492 950.9245356 351.8166787 368.5239429 269.0573856 584.5960964 295.8567053 362.5865254 603.5502539 410.7205888 593.0497993 815.398655 185.9874402 241.0960883 138.9720694 406.7561595 448.1190948 347.4181013 392.0554147 314.8023212 179.3509874 411.0288141 210.8541197 786.8774807 192.7908161 570.0873411 199.1992663 349.7134369 268.00351 101.6874958 305.3341035 379.9439198 343.9282173 156.2145662 342.5370411 457.2212408 102.7855044 191.0295556 229.7130939 189.1430356 662.8095403 259.2869797 240.4622191 150.3537095 145.6559791 155.8568623 226.4853225 269.4829169 675.0095385 309.9814121 396.2252405 398.6071214 410.351456 504.7241576 473.9597911 439.0771399 565.7715428 385.4665263 486.3586444 800.9507283 557.265039 459.6326975 591.0128729 203.9416886 372.0251359 4.12_489.6099m/z 186.1314796 119.6112954 339.2384508 14.34942387 167.2859906 102.9803548 23.46306165 21.08718896 517.8377068 207.6090319 291.8117473 101.1903011 45.91251999 312.0594659 17.11738413 37.05767056 64.33802258 120.9614041 15.33799191 183.312337 363.8412272 161.5252207 8.45151367 211.4241195 7.544332019 144.7112731 54.44227895 90.83207844 28.11962456 56.98708849 208.2512148 111.227219 131.4663333 56.25039151 94.46810528 57.61084728 25.96694943 466.4832888 267.6436307 64.45602848 12.94139663 145.2927011 249.7296626 177.2188647 58.01679658 287.4268632 201.7174637 153.2324059 361.3836109 292.8083992 17.63014681 44.76765276 202.4065647 34.19201855 22.90146009 59.54623985 495.4338172 118.6870088 284.5048235 247.2314325 15.24338656 442.6067391 191.2787715 142.4087106 83.71814991 13.11_1001.5124m/z 535.6483824 400.0303765 505.5728454 564.7346122 426.7167111 331.1530765 508.0258645 351.6573588 544.9070882 113.5746305 454.5413928 192.0607329 94.00473546 180.7360276 114.1846981 136.569209 328.4081371 128.6140468 263.9288245 129.7933613 132.6577152 42.29780013 210.4765411 70.84150921 80.92804607 240.6303676 650.3339119 102.8606444 1.096171365 62.13303296 125.0327971 49.91912251 50.82346741 52.75947731 31.6928632 52.98940176 153.5988981 29.36504286 326.2901206 166.2440751 165.6707661 146.6540093 59.26553139 26.39081861 116.8745985 72.71285554 97.40022134 102.8893821 62.11053991 155.8549813 1.419062129 82.02189681 23.9723638 39.94645733 31.87552542 104.0489807 390.2827697 172.0603498 156.560209 208.1648387 146.0959683 34.55370319 142.9396153 219.467231 188.2112347 162.3665213 297.8159768 206.7039098 329.5106491 118.6482357 208.6208936 205.0007956 160.0898781 14.28_1143.5293m/z 544.9381022 580.2754647 788.5924519 744.6944061 834.7191329 90.40219308 565.9229487 643.5054039 1003.879317 364.5300366 1180.666845 280.5560609 519.4215845 859.5685288 308.183344 186.4594792 977.0446365 310.4648515 700.5964262 443.5691442 309.1914473 472.2594478 322.7649297 602.0655461 222.7815359 340.4926855 1628.706443 311.3538513 150.4006863 225.5021588 151.5604217 256.1832971 124.2616418 245.1882056 151.0259619 74.56262574 536.5282599 52.53247724 1117.870706 267.6898382 558.3877685 331.3111506 136.9950528 102.3105006 72.1116879 170.8256686 191.6225502 243.1784959 152.1341368 340.4857754 265.3114999 34.77591146 22.61104787 139.004567 207.5707384 61.94805748 130.0681053 156.3547186 23.82292527 198.201026 183.5460273 728.4374545 316.6751906 174.2080102 204.0490164 387.5716566 184.2035112 263.5302326 892.1245827 1075.030395 733.395557 720.592076 1336.107897 979.1902517 301.4092719 633.948545 513.125502 383.4978857 14.91_879.9058m/z 67.39867048 254.3245546 24.31664382 59.29494911 97.37604257 241.3978179 111.8290464 108.7213756 46.65562569 140.5598214 44.18405122 45.79701853 251.4811418 463.446814 177.8241497 2.078655053 153.2048182 8.323164913 298.3640865 54.1574593 336.5399723 129.3687792 74.0253396 61.32121687 183.6048728 55.06038491 246.3797106 70.91154253 166.1312895 252.4232897 110.0828556 250.5151305 345.079946 34.57967169 34.3416406 173.5703387 84.32379368 287.6059886 55.49572464 22.97093187 209.9920451 213.5619623 134.9031339 194.3584008 15.83680057 243.8804187 103.3414635 39.80934023 49.77784687 129.6615833 14.35_842.8431m/z 114.8466518 235.7600341 99.66547618 233.4560752 12.7559541 19.53758533 123.0646289 219.6783465 144.4159514 178.5794218 472.0294808 51.65619448 92.54665235 217.7900884 91.28753466 316.7021331 163.5986583 308.597069 233.0946484 454.8871869 326.2120975 28.8372668 42.83719846 76.34430259 145.4810869 143.0265072 51.40390754 38.17764748 505.2555063 155.3935027 330.5837389 565.6730863 419.0743264 231.6448864 215.5143178 271.5534327 586.8749942 69.58881673 268.0856074 290.2361857 862.1425414 328.7311367 171.1475556 464.5447048 285.2916919 768.9009769 92.18636766 485.6190826 307.7394048 282.0989715 418.2430626 248.8223472 48.33648302 111.2818828 44.09194926 26.74448767 119.0424622 61.88115202 49.77622984 285.3669609 54.93145876 123.6770782 17.73_1083.6227m/z 319.1374825 356.5375779 451.0736111 229.0693375 430.8320112 365.2379707 327.3584159 352.780328 656.4157676 229.1708633 86.03670999 105.400057 307.1018535 195.1819261 257.7882907 215.4805799 167.3543519 182.9148256 172.7296837 267.1785748 285.0552019 211.9022645 187.8524239 419.484646 289.6699338 301.0632668 132.8905684 252.3040472 330.9356435 262.0195832 348.7807958 384.2275084 296.6708832 228.1933979 334.0770706 321.8349036 289.2529576 319.2115043 312.5120447 239.4701833 271.3859919 291.1598417 425.7616106 343.038343 341.5478736 271.5922981 342.6908979 366.388935 251.1224397 334.3259945 473.167496 142.1041395 161.9638226 95.54864307 182.528478 155.8905328 188.8552753 150.0926123 211.3460064 217.4430605 91.37700273 244.2111486 156.2811681 283.485379 434.4021177 308.0589959 301.288334 398.0142768 723.3269038 288.7988231 398.392708 336.4607718 374.9403642 218.2905137 262.996269 349.2254387 633.9282559 287.689809 330.9322673 357.4008122 19.15_856.6926m/z 851.8286952 1114.008278 1126.368287 950.5338159 1304.011546 1051.105332 1108.210364 1276.706518 1271.114823 1590.740901 731.4552696 753.1219593 2011.631625 1297.629425 1827.876644 1854.928776 1260.482739 1572.152405 1459.997902 786.8137858 793.4840146 1336.807011 893.3041572 1185.025254 1107.097824 1102.928156 400.2604219 756.2437148 973.1957386 1137.435805 1223.959801 1171.694634 1309.909606 981.0294797 1045.31165 1139.769707 1261.528198 1278.757026 894.5059912 1137.897118 1045.163181 1085.889375 1217.823718 1493.626567 1196.285273 1098.191933 1001.119131 1241.014291 1143.107417 1241.916197 1129.901059 1114.24426 851.8475777 1389.366273 1396.351439 739.436926 1395.57365 1381.456687 1541.83603 2010.378032 964.7040865 923.8670026 944.8868994 1251.451195 1151.822042 1297.844642 1643.471176 1515.415668 1219.517429 1552.004081 2535.221096 2348.073746 2306.923349 1820.068103 1995.593759 2234.334053 2724.122721 2676.404334 1147.742631 1085.996852 14.75_892.6109m/z 355.6874817 497.9694516 517.5498573 634.2976407 697.5512636 251.9427699 596.9588404 540.5514757 689.8836366 1014.1027 652.3475104 990.1471386 592.1469676 948.0100758 808.7652912 897.0610677 857.6323493 918.7471801 880.0754067 1120.419094 922.0212425 1359.477678 1025.142962 934.0424251 1666.980367 712.5671303 640.8857862 1306.858157 1135.919681 1157.443259 1075.005621 1195.641117 1115.045254 1372.842147 896.0440078 1204.139639 1383.294292 1322.262148 944.7223809 713.0867271 1006.505897 1602.266104 1714.529103 1458.615541 1015.609255 1111.211796 1720.229632 881.1924882 1375.245222 1046.699466 745.8978585 1082.676677 842.4742125 896.0044893 1107.120372 379.2453897 916.8097503 1446.280507 1063.549446 1144.780607 896.1061921 1126.230577 904.409254 899.1192092 1099.057686 1110.179485 1167.287447 1138.273756 1209.766064 1529.811789 1378.568589 1065.601381 705.3226543 1087.330434 1794.497713 1671.076116 1686.167665 1151.947426 1353.036379 1152.642607 21.77_957.9605m/z 8699.287513 6671.879095 6457.799133 7717.302253 6671.749408 7779.872944 8039.753564 7112.802014 5406.05156 3956.293597 7682.56607 5248.140678 5617.645828 4607.562171 3358.059147 3366.315952 6647.269534 4399.542813 6917.251497 3987.908235 4797.288302 4645.351159 5374.58471 5282.969013 4786.445535 6016.90037 9925.689249 3822.31079 3029.584679 4048.400534 3267.676566 3086.239326 3445.76545 4885.889026 3484.932131 4002.344645 4432.718074 2840.242657 4984.868619 4500.363109 4820.745825 4765.408538 4057.648711 5437.269327 2485.451271 4687.773749 3608.143721 5343.043159 3796.076426 4002.025766 3760.634222 4219.493693 4381.820648 3931.850606 4855.081306 3494.805303 4098.337424 3993.497645 4640.153207 4415.420823 4363.50869 3149.189822 4468.828136 4913.108497 4233.139463 3896.273389 4103.140524 4664.172146 3737.022058 4806.290666 5118.33802 4771.363887 5590.511806 5645.631701 6498.326263 5849.05977 3922.732814 4590.253658 4939.044076 5111.882905 6.78_329.2500m/z 79.1184709 101.894579 104.0702936 78.42814194 79.57547257 120.8906228 78.7070355 91.66772205 66.47172411 47.1277833 55.35572431 16.80315131 48.13607953 49.94557283 18.08591544 15.15480103 4.984521503 30.95302242 73.90811628 126.8668641 120.4458393 34.20797469 30.32692061 43.22203278 77.15400155 66.14239976 7.244489905 93.23507564 40.97490354 32.95848583 43.12569372 14.78992854 47.80897057 25.80775791 15.80102337 39.79521873 48.66628437 132.1071179 91.58286826 70.76804355 34.43359528 32.42135888 42.14146896 19.94778526 65.17434262 28.76392159 81.89440539 35.91249713 45.75910271 76.23862371 15.59392291 15.93934546 36.17721453 4.279410802 16.28913461 10.85247586 3.715955564 12.72495147 6.974624115 3.433936195 42.71477792 57.65802611 60.6686944 68.12758243 33.22047253 70.71716166 35.50444573 19.11804583 13.39051738 25.95005186 33.39431983 4.892674663 25.81190794 16.12545703 5.861727947 4.500429805 123.7747201 89.22277378 15.72_820.5503m/z 297.7666766 487.4321196 731.1726592 249.9264266 426.6818914 280.1008747 353.1040435 438.4006641 626.964627 1141.156691 630.0456344 1297.654709 1305.357308 884.2879979 1235.867864 1796.038808 1252.116058 1588.485604 1148.419744 560.7223243 1215.220666 769.0848686 834.8179038 1943.396193 1011.25067 1564.360697 237.0726208 967.4824455 1125.046933 1311.337216 959.7627747 908.2758883 911.0228631 1133.10611 895.7171048 936.1397751 1181.726616 951.7675369 962.930061 968.7406637 1055.650045 919.6879128 773.7299676 900.8489016 963.3142399 1281.320984 1335.746224 1260.563194 860.8560859 1539.57458 1321.748279 1187.132159 1144.193982 1218.859253 1060.775602 1018.702232 1446.198107 1306.671162 1586.542734 1512.931232 742.0268356 746.2131403 670.9596674 752.1642719 1076.944851 1840.383344 738.7209212 1549.033811 1625.322362 1080.419614 979.0880643 929.8508078 546.8710876 1087.822595 649.8081785 794.8478994 922.3824003 925.5405588 1288.052906 848.6637519 13.07_819.5522m/z 19077.60867 21518.1054 19078.70271 20697.68812 19880.91215 20071.23721 18230.64672 16745.93002 22596.84244 25333.89917 39231.31543 30468.09629 37659.239 33991.5057 24786.91578 22132.46092 41225.81351 28271.72006 42425.18439 26493.29115 27131.81699 31062.73527 32402.95596 41469.83863 30151.79632 38705.8444 58372.66989 25645.66636 18213.17444 26719.90377 23211.57595 25874.66918 22953.83266 25727.62894 20850.72813 25568.42751 30756.40406 20700.74208 44553.81555 28660.41826 32906.56405 34472.08794 26301.8909 29252.5123 17268.67188 30258.87237 27550.46351 31195.66113 22805.54764 29781.52246 18733.93473 25339.72832 23897.91019 23212.96585 27070.61832 19626.86675 23616.90481 24596.26578 29364.58605 23667.04605 27302.42825 21164.6131 27237.77822 42226.39379 24818.22022 26796.7519 29536.30163 30689.63473 24886.1054 34930.95104 34453.00541 35898.67397 33091.12722 34824.85652 42925.16931 39383.1556 28527.54877 34364.55002 31646.16182 29990.13871 16.79_848.5811m/z 31.66257247 19.7506893 46.48408099 40.81881916 49.12969974 18.61589461 36.66261288 68.26563597 42.44271818 58.6775975 39.15088211 72.57831078 233.9330968 179.5302235 188.0656606 180.5024684 289.9222063 191.0311007 65.85217158 154.3061985 236.0520815 265.7352664 74.56527348 269.1266263 137.0702263 202.0314814 23.51866673 228.2328347 140.5095243 117.7337053 135.6146629 152.0252893 189.9803932 121.0242833 89.98199162 153.3110087 150.6808109 168.7465685 170.5522484 87.51234898 149.2201555 134.5127589 79.75941364 63.30770736 254.3577209 297.4128683 185.5446495 240.6142822 201.9174691 294.4813918 234.1740582 100.4670273 91.71666699 140.6089894 169.1816723 137.6596548 129.5076877 120.7354932 110.4608132 47.18410539 25.20544892 118.8318943 118.314571 221.658772 156.5303731 389.730579 137.4111088 331.2689659 230.7044277 209.4961626 176.2886974 189.3816943 77.36198797 302.637356 97.21884746 166.6627869 266.1701915 118.0750619 166.9895717 207.7948959 16.09_837.6013m/z 939.9532039 1101.992009 1317.15291 1034.056654 1462.712091 947.3063782 1242.787599 1188.697874 1523.924249 848.9818322 1129.547871 750.8361633 994.8265961 712.7823837 800.9437154 840.6651935 816.4346334 857.3946204 837.3000196 771.3210523 609.9957456 897.6434254 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411.2531252 275.9160116 374.0319665 202.8620325 396.3344279 399.0372391 254.8193244 455.4175687 408.2617083 524.0469965 785.141104 398.7720107 346.4619942 373.1292121 373.3786708 347.2605657 22.11_998.0295m/z 1058.354455 684.2756766 883.1322328 904.8896842 628.0704106 616.8279752 669.6395622 688.5519822 533.3824228 352.2544373 663.5285564 571.8537309 704.7599733 559.2808881 371.5281784 463.9396228 796.1237166 457.0644116 650.0901313 392.0717178 543.672587 418.5535265 438.2760604 474.4912537 621.5862015 747.9069375 1328.582934 423.5463524 167.5642196 374.9052954 307.8997574 371.4263894 449.2249147 404.0020592 417.3935064 550.2982199 531.0640889 350.5924152 585.6077996 577.6705405 456.6159888 466.3402737 421.8514423 582.2446907 279.6601743 570.071642 406.9613102 523.9934673 424.4023598 173.9405445 552.3631052 461.8260845 561.6317202 481.7865933 567.2201824 413.2000273 479.2326394 426.4360466 719.8288714 505.1164018 430.2754698 372.9750207 522.5787868 572.6529248 387.1584438 475.3107086 526.0421423 399.5132801 428.4050022 520.9049183 662.3913663 674.0064555 447.4709255 586.1862524 774.9317527 691.0201172 470.9895507 573.8464104 415.4250322 449.2909807 13.97_1161.5187m/z 482.8862319 587.2695605 418.2296969 261.7291416 418.5786748 312.3566268 346.752981 307.0797149 601.5956686 226.1074427 875.1400111 353.26926 498.8440135 611.2635635 159.2948453 82.92094237 944.3931238 215.512489 467.0622496 362.0131336 240.4745946 295.5605268 389.1360339 572.9990005 299.3845057 493.4879197 1518.113399 248.9261517 137.0800294 192.5143357 261.1520917 371.3805641 107.8050488 176.3379518 216.3061337 157.7056412 346.2504486 154.271333 1074.840812 276.3432253 392.5752446 455.3332084 189.9976949 107.3034979 63.44087825 374.6404181 161.1258993 328.0498562 216.2408212 260.5787666 162.0656949 134.7311693 93.58653183 53.87318027 192.2084947 235.6156596 65.17362597 178.4503888 50.36359743 103.4523036 251.6687019 334.8768513 724.9834599 383.1604736 385.7160952 207.1213359 325.6346164 208.2777629 346.742685 391.8726561 337.260999 145.4009893 284.9402832 617.8331056 289.0269613 298.2129036 360.6266079 337.5447727 443.9470999 22.68_1338.3723m/z 3919.42251 3804.512765 3105.931654 4041.447588 4078.066098 3690.90871 4966.765054 4256.934121 3565.464623 1847.214198 3988.564774 2935.964925 3518.902209 2251.771667 1867.679473 2044.409437 3654.166373 2350.86068 3154.976114 1862.10885 2208.086374 1850.867153 2123.599226 2983.185656 2211.957568 3075.499881 5984.084392 2069.211976 1380.08305 2444.010896 1854.053157 1567.983329 2311.521417 1952.79837 2138.599303 2706.459147 2799.680475 1465.75692 2453.592086 2820.478121 2388.079353 2478.522696 2196.762866 2946.309103 1335.224866 2367.560626 2153.101989 3432.126183 2033.63992 2339.715991 3162.434207 2267.997281 2038.693188 2335.849108 3304.689854 2413.240919 2268.444816 1778.365899 3676.483017 3005.020154 2150.429824 1723.438873 2158.998894 2950.547187 2160.562918 1878.347046 1289.995598 2455.718916 2336.120401 2831.753766 3215.992102 2381.569487 2665.349106 2784.978788 3504.280852 2208.915358 2503.049518 2924.678608 2429.159859 2749.249916 6.29_603.1242m/z 252.8180549 176.3525097 153.9471542 158.1239429 156.5319503 142.470714 70.14120895 94.95799557 160.1046486 56.50009511 23.57446313 48.39877459 29.69996135 28.31410058 33.34641286 16.45268193 93.1334921 121.9446884 19.01817556 39.16531697 77.14310844 54.60054428 130.226805 50.57619894 85.42632192 54.53381099 46.67296218 34.11032399 34.74503808 16.07750061 45.51020193 71.72967528 69.39338638 33.73548404 25.28488993 24.79536564 81.23929885 38.2798024 70.94326573 85.77453366 22.26751729 113.9159725 48.176809 7.468655285 17.91515034 12.40123778 16.99321195 11.47482372 76.93908245 87.76988369 75.16563806 51.04605561 58.55089694 46.58463662 31.03640351 81.23431699 99.64354247 19.34744261 68.72313481 71.68671697 27.33644228 30.63900903 40.53710724 28.89482012 59.7544322 10.18_916.6109n 6328.890797 5694.979975 3357.081614 4111.91747 3360.551222 6159.088798 5998.749928 4527.90686 5389.196033 1729.297959 2986.302707 3640.634234 2957.109145 3481.832649 2108.627858 1758.487545 1936.993154 3107.145967 2584.743539 3324.729165 2840.800728 1777.787271 3239.441823 2062.368682 2974.990769 1842.889421 1190.222915 3462.119077 1654.809046 2893.692128 1745.085576 1276.346319 2961.51223 3899.980424 1125.665769 2334.911827 3090.124265 1042.149406 2207.923419 2881.56625 2181.568065 1710.798833 3059.836357 3009.754171 1022.357442 4004.051584 3324.129164 2953.537042 2452.941161 1396.435823 1693.290333 1780.871823 3049.415279 1688.721108 1271.667008 1483.042573 1610.75606 3015.053516 1743.43555 1775.525095 2899.130964 1676.887301 2632.251575 2394.198845 2594.567578 1498.604642 4202.586995 1621.287047 1770.151037 2498.36825 3156.891192 4009.390373 1793.0415 3212.12823 2082.13308 3223.617327 1657.134592 2570.47047 1076.333062 2904.183681 17.73_1060.6149m/z 40.80334736 186.2712311 184.316816 47.5910706 240.3460036 222.4017933 235.6293703 190.1778108 205.1335779 116.3517037 47.67555938 28.37379016 76.8177206 90.99540007 120.6489868 67.24392262 34.79486897 59.82509014 66.67722505 176.7662255 55.42554203 110.2729322 78.00641468 40.0059197 168.1961831 41.90488662 65.11909214 127.1970263 115.8038894 186.0596437 136.8123689 104.0737247 43.18140445 173.0580987 113.5446082 117.722028 124.2904304 125.6891149 74.33670895 73.29626082 130.7752943 145.5268122 94.66140877 182.5293389 97.58678524 85.5351329 201.3591818 126.9594781 142.5566202 163.2380493 89.70774896 85.6898308 66.31275352 75.83176412 66.51706768 19.4737238 15.96261314 114.3254332 48.24096246 96.99036527 135.3159682 145.302239 150.5340591 120.1239369 349.7713253 189.1853 257.1784613 102.9884612 194.0007353 89.81976316 101.2206995 143.2419829 277.6336932 173.1882073 55.75510334 161.4267097 22.28_1198.1778m/z 5869.754906 4373.126398 3545.222558 3901.643517 3948.141699 3147.574819 4887.719222 4241.767894 4358.549198 2420.188548 5314.447193 3105.491583 3547.328956 2997.66839 2138.390477 2439.969082 3804.867025 2405.412516 3911.222971 2038.527826 2729.355179 2247.382303 3016.77687 3551.387347 2720.781802 4280.731006 7238.548015 2118.654681 1543.397609 2292.955707 1886.402952 2145.227712 2412.977492 2589.318975 2006.726133 3190.210741 2503.612361 1875.081357 3704.019654 3088.560019 2955.280606 3229.396925 2876.306791 3136.32961 1398.047934 3034.961669 2258.894244 3712.279759 2229.330361 1517.889067 3007.573182 2066.081138 2653.441679 2724.162318 3324.125902 2226.798935 2385.698812 2181.88611 3449.423068 2647.688542 2718.715519 1915.884796 2970.892384 2839.556124 2580.963917 2629.956522 2580.676385 2541.448862 2510.718303 3409.209715 3058.497684 2974.679066 2318.506583 2674.072662 4320.741458 2854.764116 2153.932529 3238.655234 2870.916392 2537.668525 19.15_873.6953m/z 1007.161337 1496.563229 1382.49672 1307.664289 1418.752284 998.3342021 1248.830088 1634.554214 1522.976402 1418.808719 668.3987007 710.480861 1550.123911 1117.300729 1460.877239 1557.57232 1114.690145 1283.238001 1310.795475 1340.466226 872.3599424 1171.573095 1142.819214 1249.449442 1175.089531 1055.954261 237.0455015 1105.09886 1269.850323 1121.56361 1169.19313 1152.466177 1336.314662 1040.969497 1247.592034 1091.512802 1318.95676 1435.578477 939.9529508 1224.036072 1242.556249 1121.231284 1498.171476 1016.987961 1343.448466 1146.190518 1259.914423 1431.794796 1342.13935 1365.120318 1207.269897 944.4104296 851.4663851 1150.368315 940.3353403 775.1027619 1339.144709 1019.048352 1048.118511 1711.658653 778.5277629 1143.94409 809.518749 1242.63798 1277.626786 1310.249288 1756.179201 1443.947609 1508.411618 1533.162313 2242.584625 1975.160569 1899.941296 1432.482459 1700.874808 2069.248025 2356.107514 2102.651184 1221.591638 1313.37258 3.44_345.2449m/z 234.894022 308.8516725 286.4162056 263.4703315 276.6404347 197.384006 197.63542 335.4928511 350.4977158 54.67726794 84.69899531 7.207142891 61.65099106 25.92573112 52.09783995 12.19685035 70.62901297 68.08815189 13.01359321 125.9140185 122.2903734 40.83788645 63.88146767 73.11121805 86.29946476 10.75340143 213.7788922 79.78305978 42.65966682 34.79613468 10.12938913 38.59054637 57.64518175 38.45311259 29.00161672 116.7527543 95.88507212 162.6948257 84.5572986 15.03532116 49.91960895 52.19797921 27.90420131 56.43313955 35.60835802 6.145873119 45.96974213 14.44461794 8.341650252 38.90207863 70.12646859 35.89509467 26.82933603 4.0558474 73.08100928 26.92821692 134.8219093 28.85854828 47.54863905 86.42045865 27.40557123 10.73979658 20.42938244 27.83106754 52.02460522 37.57018907 34.06309253 4.678746348 7.18778005 15.08750531 15.74034406 113.5315741 53.51015131 14.28_599.5027m/z 658.8407438 804.9985124 1053.649295 1210.92768 1078.372478 949.6127437 933.5393073 1012.771528 1662.192902 820.0439928 514.5674285 657.9595453 705.1519918 569.1835528 737.1978074 470.3862767 580.4028701 800.4408455 712.8818727 754.9547616 581.1520504 657.7222276 697.8752052 466.5722868 626.5957316 595.1541888 609.1382331 807.6098194 1010.95548 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1247.874024 1526.120449 1771.993613 1317.858027 1567.252024 1822.214698 806.303058 2118.362724 1961.364955 1871.744915 1518.064164 1366.627207 1942.828334 869.530012 1480.979209 1532.599263 2298.073277 1529.259249 1634.213435 1834.961224 1383.341239 1498.08689 1392.061296 2035.882123 1544.752736 1582.132334 1373.752501 2490.047794 1545.721479 1678.441365 1173.06717 1412.670093 1752.298958 1429.500339 1678.875601 1178.855017 1987.203202 1489.162128 1814.987693 1984.958816 1603.821511 1761.583561 2081.648738 2548.251299 1996.096847 1650.48913 1972.6004 2057.522806 1755.712733 13.86_775.6002m/z 12291.49362 17986.50964 15883.86389 16715.70799 16521.83143 12419.74336 12680.45361 14872.2422 19348.55747 24405.25425 16627.87292 21873.07442 15237.08409 20335.88575 20070.44855 28080.89329 12446.61656 22819.32207 20036.17816 22262.18728 13179.31785 12620.52496 26310.06383 23848.43413 21728.83133 22828.61354 14565.41734 20731.92586 23172.61048 24117.53374 24244.8935 19943.57637 19313.79487 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179.2375954 264.5359856 218.8403232 206.8699192 300.6539045 104.4073349 174.909849 127.507302 57.70278702 128.0654031 220.4197132 267.6171131 174.3042065 116.9721506 79.90663788 108.0758152 216.5086373 222.4128051 156.6597747 112.8186373 150.1727631 206.1335744 81.18785824 189.6243876 146.9581131 207.0345646 115.2703954 74.15066261 251.009147 124.9996724 100.1128159 137.4980043 170.1406575 117.9038428 191.3105817 121.0024884 242.1036119 195.4411407 122.5621175 99.96477609 174.7078652 197.3106448 109.8005691 69.66426966 264.8623711 176.8425095 121.799663 39.22110555 60.22588974 257.2221978 251.0857731 134.2828247 190.4141658 118.0248982 166.3265379 146.0523674 68.04499947 81.66572592 132.2664802 217.4254951 189.7077054 273.4947181 196.7990724 152.3841755 89.8374009 360.3359818 240.0132517 114.8142354 55.87022018 13.39_1005.5451m/z 99.60298529 140.7907126 127.924245 160.4258409 199.5622741 94.19103197 34.78108616 206.3988402 207.5007513 318.6096264 280.0624859 467.8994675 573.7911994 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760.7849039 965.7998122 708.8362488 1019.456878 917.7938821 748.398612 1202.425013 517.5782072 976.1326339 462.3461411 802.9917159 825.403931 394.0192482 703.5490194 517.5909117 501.8214408 607.859066 919.6787002 467.707356 558.698337 836.6213744 208.9923004 558.0445917 1233.46686 534.6075003 546.4430541 650.8085801 896.3821879 230.0169084 1705.78049 1155.439038 746.6394872 702.7249614 293.1822633 681.0753205 410.252773 601.7600817 728.4796711 600.5822317 3.327109306 376.0871182 693.8741713 469.431954 391.6649401 1151.282502 281.8722687 696.2794234 654.5066167 829.2958226 319.6495432 985.1077054 452.3045817 839.9668281 694.3912994 1537.025579 1518.682456 652.8156795 1359.287317 716.4451372 1248.756275 358.8958515 639.0078389 226.0735999 1115.331117 16.01_321.9056m/z 36.62426615 44.56648971 53.38571409 44.94213808 45.85090202 37.00591123 30.70824115 55.99181514 52.65331597 26.84344129 15.29229011 29.565584 45.19425508 35.36255885 28.6733453 41.03115689 35.71479467 25.56086407 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311.702608 342.780385 387.8447855 331.9979002 274.5110095 137.3617647 194.7999268 117.9563237 80.43879913 30.78050525 29.56834342 68.64260658 40.09408144 66.11691339 55.87027126 68.64483475 213.6087311 58.26482569 89.22808973 198.3813314 19.29853105 170.8665797 64.27906039 129.3908625 57.97055517 30.43548516 47.26793062 44.52672581 103.2265589 58.10832171 132.9338075 146.077443 233.3905092 177.2260389 51.31356509 49.41864295 48.17084944 31.76885766 36.9537368 60.63671657 108.8148804 163.7831547 33.04037592 45.35101366 216.0520027 78.50766586 36.70604569 118.2762183 61.21065692 167.165595 59.97092749 122.8700567 38.34701891 95.3433635 78.07539013 38.04299085 70.08123344 41.58645712 69.97662625 31.49311676 107.3321276 34.52762137 105.1298523 75.59180033 92.64233122 33.99774749 100.7402449 6.29_338.1485m/z 907.336583 608.6049828 510.6590727 577.6106525 541.1915979 406.6679691 332.3037337 451.36837 363.6182101 184.1255359 483.9688082 403.4784785 345.1574384 432.0908954 304.723929 178.0376182 482.667337 401.4060821 411.0263816 368.7110053 434.3107398 313.2967469 331.6139397 163.3946899 419.5842587 605.9296801 558.9291128 302.0845585 162.6140012 391.2528725 292.2532671 198.9578509 125.7454986 228.6150473 274.7804476 391.8401861 355.8080998 66.05814313 429.2361714 455.074653 397.9315073 163.3015111 289.8519874 279.9103824 148.8768428 427.5108583 269.4666661 372.8048241 380.6906502 53.51199882 285.86133 332.2417625 275.6065484 502.8132127 251.0759033 189.4490275 146.2912754 370.4674833 320.2166787 197.8589363 348.283098 316.6571892 310.5663365 623.4443547 348.0553064 428.9220559 168.1693543 315.6120972 98.13577755 266.9020184 364.8989848 464.4588332 264.4911682 479.2055867 410.5390701 357.8278729 286.9977537 400.9771111 485.8336086 387.7042954 15.24_953.5405m/z 466.8580586 227.121195 343.6751828 148.1263771 221.3475521 143.127789 108.0314295 331.0147913 219.7559465 78.86023237 231.4784552 325.126863 239.2318778 123.1240931 118.1787365 79.70593313 206.9878407 148.3352857 186.3709729 109.481328 151.0606069 162.1320213 246.6362192 243.4531964 342.1483115 128.1953446 987.7840933 112.7298342 141.1359547 97.98000964 109.6851799 58.97260007 154.5517868 97.55125944 164.1049579 132.5892157 128.7857324 273.0373286 137.1648924 262.4970586 256.6770077 148.8182647 203.2775355 95.37908816 236.4978339 167.9569618 257.9531012 135.0555638 176.9377716 145.3425657 178.1256804 123.494872 239.0401222 207.3230825 295.3935579 158.471 196.5753007 83.35620756 106.2773026 155.0688997 152.0007122 143.3633743 191.6344302 148.943321 164.7267856 100.7034288 77.5489047 158.9099113 88.11725984 150.8739723 230.341346 312.6397819 429.6064614 300.1382316 256.645909 109.9452511 184.3325256 183.2797164 161.7043858 7.67_531.8856m/z 116.3164378 194.078874 281.6823285 250.0193199 302.1763008 161.6232972 188.3665003 269.810568 339.2711126 154.0811859 169.5689521 90.04689134 124.7730051 144.4091328 169.5433254 140.2696458 162.54685 81.59451923 15.79013692 119.2401124 68.40757547 153.0130054 143.5307234 202.7672946 126.1108153 22.63711938 196.5246197 124.737794 149.1689662 110.2853938 155.5304773 188.0434424 100.4614919 49.02726504 159.1898025 21.28849392 105.0885325 115.1279508 108.0984772 79.5604105 132.5927468 127.9764314 96.90649731 111.6235736 99.79699488 47.91754936 23.19031346 85.88110945 79.47918166 140.9824236 130.6274069 114.3503876 106.1027046 95.38730384 85.79241846 222.662656 179.4703145 60.3175 109.300767 87.63319856 112.7777303 162.2761145 95.41036497 58.00245891 129.1065931 164.6767427 60.21963005 128.449496 170.8898189 123.7365536 138.6182738 130.0320495 135.5931851 152.3110479 85.42751578 97.69474466 127.2371732 144.8842982 76.77140438 104.6162338 7.89_1470.1878m/z 5476.737009 4349.529578 2676.693831 2935.82053 3387.420099 2695.75924 3338.330548 2688.183026 3288.41746 1145.116709 1164.187342 1655.437711 1438.014941 1940.97678 1007.74347 1425.058278 1038.186784 1343.564467 2053.724306 1386.902127 1696.411333 1154.862915 1440.52464 1443.994186 1646.003125 563.121647 0.349441726 1953.582541 1500.607855 1578.542376 1134.014026 1061.15481 1465.448301 1063.08497 1707.586092 1098.041099 1099.577655 1457.983803 1207.689583 1455.795811 1050.276055 1182.5715 1239.325152 1087.58008 814.1233946 1080.112228 1387.049208 1297.231249 1501.466717 1321.866236 837.5081879 1087.143206 1337.050329 885.7572036 908.7269349 1418.625206 1393.536433 1320.874796 1587.886081 889.0337999 1645.983545 1267.877022 1454.668272 821.1765115 909.9972232 837.0841352 1605.234782 1153.366244 1129.00272 1029.856254 1523.560316 1485.616395 1124.323378 1518.654202 1442.823873 1470.716936 1204.662632 1512.20279 791.880593 1361.48395 20.37_459.8591m/z 270.6716197 159.100718 184.4254526 222.8301418 211.4015678 336.3021213 308.3846238 209.8464375 207.5103286 133.9758754 259.2378182 123.9005324 267.4722234 157.2919499 159.5980741 131.6578374 200.0955109 168.2298132 231.1532543 103.299603 126.8523435 157.1700721 156.0447079 256.1799091 126.3069153 180.6778009 446.0474044 113.0119001 109.8350709 162.7772015 140.3641429 136.8022561 146.0477247 149.3322402 119.6867263 184.0344644 145.654279 118.7237127 244.9853469 137.6583494 204.9487699 209.2982767 129.1492684 164.4711238 96.20583655 170.3931007 144.5963094 211.4306448 110.5514534 160.1502584 166.0112389 179.0179098 138.4514492 141.8833924 144.9456603 224.16647 113.7965645 75.98540853 189.4280002 159.5839001 125.2803711 123.6435607 154.7204839 249.6287361 128.7621436 150.3166373 94.44418253 176.0630782 141.9482082 184.7821263 155.0800312 148.1531958 214.1675682 158.7154169 203.7038561 125.9643011 156.2880229 181.8790412 195.2630339 155.908 20.05_686.5613m/z 797.155168 772.6722564 725.1189238 1579.860579 2161.63668 1879.742668 964.951741 2220.09364 996.8391122 14.83484411 725.0711335 11.46258074 523.0769725 9.952867753 6.640234912 584.0393598 5.025871379 452.1173426 511.0616313 12.79832673 502.6873288 5.274655413 1327.182666 9.536376564 368.6819473 7.85228772 507.0508556 1.357184742 2.074407525 468.7332679 7.632688119 531.3445476 10.13627347 8.544024778 374.9138271 3.062538467 535.1627659 640.0775287 17.31403174 716.4689599 439.1306036 12.60684938 390.513045 14.77878642 3.510446248 0.535378759 401.2216477 20.10541951 11.53315458 10.7056548 18.57340128 543.8730102 9.941146464 6.731084849 522.0573119 1.371366305 444.6771787 7.300874871 338.8027855 2.807723775 3.663904988 10.01036794 3.331155641 552.9896144 710.2401625 560.8660111 688.1812388 0.724455268 489.0357384 22.92116089 585.4456405 2.144878076 647.4999135 12.40_890.5054m/z 303.4081134 333.4790536 310.505408 218.3303084 373.7447141 193.8795 316.3745414 280.5858835 423.2243449 172.8123315 162.9181652 171.3765959 94.19703611 132.3888213 147.5780918 131.1479091 125.2703592 270.1082009 155.1887874 171.4758443 130.3038736 223.095547 104.6239478 179.9465871 69.84668153 78.59576051 176.2485303 160.1295793 132.3430007 269.0685311 211.6927619 64.9878767 197.13906 153.758386 48.77992298 216.2866781 168.1956245 270.0531095 159.6915336 155.3309227 177.391655 165.9315402 31.3933476 67.78921413 170.2735378 187.7617327 145.5306866 155.2439787 198.0115216 223.1183774 32.44791668 104.9917695 125.718871 151.3256692 180.8947435 73.69764379 98.51839506 54.08823241 26.29060788 113.469166 174.0716815 180.5670549 229.2333797 140.4890583 216.7286859 119.7927713 259.9371422 188.1246666 123.3223755 164.23972 311.8761761 207.1259424 197.4906464 196.1017443 267.0377645 169.4019947 203.5439439 206.7294672 256.6102599 7.93_557.1394m/z 473.5868555 284.8460954 281.8884272 338.4439372 307.9084937 254.2964832 159.9036276 218.2950032 172.9558166 71.28206953 45.93670055 135.503923 80.73437737 129.3049143 63.55360648 74.28308839 110.1271086 70.84421425 82.10516013 117.7062483 146.9174325 27.52956046 83.53184695 94.94611211 120.1173357 54.23747658 161.3036627 82.49325708 105.1932809 84.19025979 81.22842785 60.90039996 70.34614781 119.1695055 159.3457445 105.3857524 118.9332882 137.2309642 86.79323724 36.99702822 118.4186931 71.0023931 85.80131734 77.12208568 106.3456911 74.22813401 95.65257738 114.9692377 34.25492012 52.97067822 136.5270445 61.66147695 46.94751143 87.66693804 76.09419735 149.1471593 86.01438794 66.8348036 136.4324685 61.18481878 125.8887918 122.6126108 99.22425472 68.15698173 61.88265925 25.02199404 48.89772593 101.8694199 67.82442729 118.9099094 16.54915237 82.10185661 45.35053896 100.7394555 88.05527759 151.1394899 98.88617112 125.0849635 17.92_671.5309m/z 116.2810661 299.7012001 217.3448933 237.9102603 214.1698141 224.1741517 315.7793092 249.8487454 294.861608 76.62697271 129.4582299 185.4449845 191.934739 132.6308266 133.7695091 119.771973 80.46940767 124.443839 1.663551112 121.4719182 158.8132408 125.8719605 11.23993379 131.6168784 135.681083 84.26711009 111.0184929 161.4932348 105.8116818 1.465140735 96.07247684 9.587012386 108.2290458 50.21120936 136.2937731 10.34122004 78.98073336 111.0776797 90.39056625 98.03080647 0.120453694 79.74471499 187.6200527 87.31717003 7.89_638.5031m/z 1948.767172 2344.988526 2514.921271 2139.046044 2664.03369 2514.223322 2727.345819 5248.787435 2484.055677 2873.672047 3417.510267 1103.931211 1834.141623 1282.690983 998.2746432 1116.648065 1749.57671 1737.239315 1246.585584 1361.691586 1084.417006 2819.086343 1325.24465 2.966588757 1201.431962 37.59482866 2695.056061 1268.456169 927.6729777 1110.950358 2679.480232 823.1231094 1339.011566 1050.933568 1511.788859 1721.822243 990.9960556 1013.914373 4.284120974 1276.627548 1410.214449 1.509974918 1385.084512 1143.033661 1913.234651 791.8075067 1111.729646 1663.179849 1211.16454 1364.75703 449.2180626 1628.91063 1161.005713 941.5587083 1186.108369 691.6777385 772.4124909 954.3877922 1371.487845 1046.052286 1724.015507 945.911192 958.6096722 121.3858398 1578.04888 1007.082506 1341.869968 1060.160967 651.3214273 1135.49086 1830.842832 1414.355049 3091.906502 1211.107244 1350.383499 1126.759814 1283.91011 1769.583249 1609.85641 1025.702819 17.69_702.5561m/z 381.7657392 486.1656645 409.483138 348.7284647 500.68227 504.6333384 586.5282141 625.477966 602.5436153 161.2497225 247.915615 266.5437446 254.0801465 257.49419 253.2419034 260.949828 217.3178568 237.9159274 7.394949293 230.720816 15.79980266 218.5738014 251.7686324 243.0964896 227.2821949 5.469261039 255.1933739 262.9061667 221.0707025 5.113302142 271.6632451 8.365700176 4.081528056 5.520687294 213.1476347 1.41918454 200.0433284 1.14055052 151.1093498 311.5749401 221.3408106 243.667274 230.4143845 19.19952089 150.6282303 175.4188193 227.254014 215.2637997 14.91_841.6460m/z 291.2739334 334.4555771 278.5218798 165.2557246 339.7682448 97.06573555 146.4441732 265.0083239 245.4444665 160.1165321 10.60821055 175.8844787 226.5668466 54.99431137 260.3669972 263.1108058 135.2600119 215.3910966 38.6557241 217.3423575 191.364895 134.9005534 164.2642165 115.9456595 155.6218766 157.1854235 153.6170133 218.5148391 94.72875633 145.2496544 141.7476476 255.5767455 271.6406481 173.0164961 79.24169803 103.415732 96.13111527 255.0595367 262.1276005 231.6667585 121.1905147 127.7645428 65.73524552 269.5482856 209.3241104 353.9734828 410.7572068 177.8202212 347.0592964 379.1693599 48.19336718 224.3390278 100.561796 192.6233843 179.2480563 79.59666275 140.7955646 99.90906735 421.5489858 24.2307454 115.0782557 253.484817 99.58735044 176.9920447 266.0804998 323.3171396 319.8126523 310.7101783 145.3640746 406.6494188 318.9537508 103.4082651 399.3718653 345.2610147 558.9012013 607.2955587 468.4401087 174.9139346 94.96860398 18.28_695.5977m/z 70.06909315 81.16584023 103.0753517 101.9642757 113.7884183 120.7610313 194.4307035 119.6562219 238.1162173 41.64755271 30.04422298 64.24828601 38.8050343 21.75648824 31.24269893 30.98907248 37.27822327 47.69634294 33.38968952 30.80893569 31.57382502 44.28560947 69.25340985 18.85430053 44.07515695 69.18740559 22.18160738 39.22507093 29.19377198 55.865206 61.52753952 47.92338405 74.81215847 56.17800284 55.6383605 30.23512439 80.15570452 112.3508054 33.1620444 84.10716953 14.95454686 87.2306456 106.0369059 97.50316291 56.47737255 55.64169049 99.9735782 33.34896429 120.1837029 15.30981862 71.65340681 10.35112023 30.44289291 29.50337791 40.03737379 29.14040814 18.33057453 23.65601716 19.58268635 20.66411592 40.63028024 16.82504068 45.4503055 24.88454163 76.04592099 12.29445696 22.80_717.7516m/z 419.616447 324.0382787 544.1814481 347.8456458 407.5328555 455.2214651 566.0901636 498.9752625 457.6656151 277.8012891 564.7052078 184.2497357 450.5325078 280.9965139 188.8057628 163.5372671 366.3011682 201.6641136 380.8273026 239.6018919 278.0048865 204.3789607 268.150499 441.5521429 316.9932117 276.5044773 663.7746514 229.5347436 172.7836042 154.6957412 194.5109502 143.2904875 392.9894729 245.8350226 221.2899338 376.7520374 326.6511035 24.78661774 260.5194004 346.2209268 241.6503825 295.0981635 227.4865273 246.44884 114.0562965 313.1575378 211.0309556 286.3066079 316.8457983 312.6345674 406.874916 282.1864674 269.7045125 150.4726582 400.2700293 423.6575521 211.4257112 190.1028767 498.7359088 391.87788 259.5290308 133.6254738 200.5133252 310.4815457 170.012914 234.20938 98.19055944 247.6701979 308.7233324 263.6068242 208.622603 253.0136455 179.0302497 236.0699116 613.9791845 286.3216645 233.5642484 355.2909485 111.8522998 331.1509803 22.68_689.7210m/z 389.7659449 462.5667493 243.7200032 234.1577974 230.4973518 399.5030035 499.8197134 264.8762081 204.9411264 191.0699467 474.2547035 268.613198 332.604985 170.0681431 130.9250975 136.126858 182.4131695 169.3760601 372.5137838 157.4030547 168.2593071 128.3481898 172.5681422 188.9161216 161.8821447 290.2042636 355.3174348 206.4195259 98.93709828 159.3803033 83.84101961 99.97377185 218.8796743 168.7312724 184.5728008 326.4430488 211.3244907 104.555327 329.344034 156.7474051 302.9929515 193.8392241 143.0485193 153.0159979 124.2028577 147.4464532 187.0733138 276.3425601 133.6671411 206.5629765 226.1698826 184.4251621 208.8376594 108.11376 224.9493417 223.0733984 170.2031879 138.0984653 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2756.594516 1730.6969 2210.966408 1422.196086 1914.435318 15.75_261.1208m/z 460.5913024 297.2898711 269.0993136 313.5273013 365.2244379 323.2922081 371.7475175 463.7427383 189.8235742 194.0072818 502.7321322 206.6262221 238.272519 211.5925404 167.2405815 189.3609605 281.0084382 194.3219601 354.5813458 190.9072075 216.3316024 453.2445856 216.3596663 323.9163593 188.5442133 297.1676273 608.8926903 157.9598663 127.3092383 209.8773142 149.9326798 127.151439 134.2768293 168.0409688 133.974615 248.4067858 241.3076229 134.5411092 293.9547889 181.5183799 276.324221 140.9827358 169.9612226 209.9990448 110.4625279 191.367447 197.0339371 308.3942079 176.7311518 166.7869423 62.19521436 262.0951596 211.1490895 138.3986332 292.7363369 5.407572502 147.4016797 187.441106 374.8825222 244.528719 191.6938551 132.6793829 177.4098162 368.5232201 171.3604331 175.9240984 190.6152748 285.2568675 114.3571941 222.808325 190.9500886 273.977194 353.0401058 230.14463 288.9952736 226.9489207 221.9802962 244.546593 278.914887 241.1555169 6.29_378.9201m/z 81.97345347 136.5548551 106.3255937 179.6485222 128.8777114 218.7171932 105.6798747 206.0944186 242.8020306 134.7660989 132.1165264 116.4058538 115.4562853 108.5567666 157.6060732 204.2099056 147.3543542 73.07330739 143.5707626 97.19351218 92.54800301 124.4519547 73.8164564 115.734067 68.35831584 72.2940567 179.2313236 112.0901366 154.5730337 83.77277832 138.8914233 170.188822 104.868234 95.05968974 186.0237107 125.9492273 66.94610652 91.189891 139.7571298 101.2450772 117.9416616 95.12560803 86.3716964 64.87686655 114.1118603 52.54149181 14.80197872 111.4879791 91.34443908 152.5809812 140.7168271 124.0787662 129.9639109 164.3362185 120.9003471 241.9883802 250.7269403 93.47081169 140.6988102 89.26752975 159.4915224 151.9022424 92.05249617 75.3455011 66.79173809 151.3516585 132.9397486 191.7713869 183.1907593 92.5749576 69.75292334 126.2420474 145.6504153 107.2881012 75.34875385 96.98138199 145.072557 121.0797206 99.28172833 82.41866326 1.18_388.2362m/z 451.7474256 443.143692 549.548144 521.3692396 662.2066901 1286.208439 964.6940038 1140.693312 537.1218515 726.4814906 1096.219626 328.370178 793.3282543 340.9477134 272.354673 473.4022015 447.2728279 448.0038553 1093.713356 297.3658291 244.0879007 795.4500314 329.3857548 14.58504932 292.7282272 1.791830065 937.2527002 305.7737102 213.8587816 253.583202 556.0896602 364.2317726 664.2565501 317.1761452 292.184571 634.3932127 280.5023012 445.0334031 68.12156163 318.2546994 611.6019171 42.37400243 265.4700583 255.1049636 390.996384 186.9927773 277.8410171 830.7881906 271.5171019 520.9928567 126.962918 704.239571 281.7791451 240.3766596 335.8496993 138.7183621 224.3303239 214.7302254 769.038482 638.8093041 430.9565378 206.5243385 227.7398215 46.79174171 368.7911471 253.3143659 603.9816288 420.1305888 330.5511506 284.0043755 420.9951474 306.6745461 1023.231923 321.595652 352.7289428 241.5815369 311.7964574 452.2647325 428.868194 272.1083285 18.71_658.5300m/z 2040.53575 2204.346206 1661.6947 2031.780731 2094.845844 2213.17683 2245.159964 2392.072461 2113.201435 923.8765737 1310.544612 1305.414427 1253.003332 1075.195002 1168.217257 1223.399615 885.3496192 1078.915929 940.5878559 1108.318034 1055.313737 1142.704718 967.8597886 1106.351944 897.5380699 8.178657242 955.2832656 1127.974443 2.867144167 1008.083517 1024.425091 766.1185684 1002.043685 949.9693611 1217.87397 1132.670618 1073.759805 713.3301737 1197.661307 991.8309215 5.85_685.2796m/z 761.6272474 610.1797044 482.5832739 596.9482532 470.9066847 495.715584 416.4815357 470.9665988 457.1496384 453.9322239 684.3415268 842.7492622 724.1198343 956.8105628 513.3554189 593.3764995 823.7290483 492.5369439 765.5212495 700.59023 714.075797 481.5920183 719.8973507 731.1867202 1022.939819 634.7573408 824.0236533 724.3425122 327.2993926 784.9317799 528.4887453 534.5264691 467.4803949 850.0926429 635.5003224 438.4294665 631.5431277 515.0819767 1053.429368 523.1164603 467.2445385 729.4295329 766.9070366 870.3359377 349.7536372 721.6320956 410.5692485 504.0740934 662.3726237 746.894193 355.3116737 362.8312793 685.4129001 438.1208252 660.2396298 487.0241985 599.6077643 775.4358212 512.9264416 397.2208457 758.350277 469.3724596 745.34807 737.7172918 650.2559936 677.6702802 393.5570152 713.7276699 597.3215578 1099.962476 701.0252975 853.8470787 667.7382897 851.6592096 707.9974405 793.420667 536.0435271 778.1811274 618.7521929 949.088737 18.71_685.5467m/z 2888.063115 3087.662244 2557.402729 2951.099874 2649.261587 3157.788321 2963.213439 3207.656328 2586.286908 37.98748207 189.2982313 1232.502969 137.9383996 1801.595149 89.11806228 46.57756299 40.41220345 1973.408678 53.39662578 1855.947599 1471.00334 13.53634083 1855.402435 25.68387693 1707.935666 26.97856203 1358.545133 78.21156772 1546.373279 98.45092531 10.22024816 265.9006655 1347.890894 44.54153829 130.8206992 1814.264355 44.81619262 22.89709361 1595.454864 156.9664597 28.75029387 1572.372689 1658.209199 39.14671023 1691.476913 1438.850393 154.9407482 1262.936652 58.91132591 218.6717695 102.6278182 1567.344231 106.3504625 12.15624355 250.5676366 66.71821506 1369.574139 47.13241865 85.93459402 1590.449041 69.34441038 1306.505359 22.92648386 1600.635382 30.44586742 546.6278926 54.19390933 72.49322396 1653.3947 1804.240798 1708.446522 59.13672585 1592.371705 56.85899037 1253.936954 36.51778311 1661.346169 1452.25459 14.46_851.8359m/z 37.01794388 206.866826 636.8905635 465.5876826 353.1321737 291.4847874 524.8948778 564.5275569 394.4622224 1513.940634 1154.448496 2365.949799 209.659573 622.779165 619.0180611 455.0565873 351.5114217 589.1455596 2926.730806 864.1993918 2137.760035 2625.64021 519.1738654 170.6604295 3398.907687 905.6225971 749.8234281 348.2073146 1158.876132 741.7765905 1028.985688 1438.763767 2790.62936 2134.599105 348.8142811 1856.140197 153.9633505 1261.323975 1666.393809 2143.659329 1886.336894 234.3490339 385.8774371 855.9184771 1027.334655 1760.702553 3200.046838 1228.055452 770.2304363 2121.541513 446.5696363 1743.433275 1642.237165 460.7207922 758.3686051 1104.394924 245.1402546 1008.17082 844.1843568 2060.192441 772.9005905 1046.718454 2582.037238 2490.461977 909.0159223 388.0454571 1428.700201 1689.568271 293.8930025 1651.219836 942.2121077 482.9542262 1146.373214 474.0018127 68.12370654 1782.437982 373.4370556 1010.932662 249.7233711 577.3712951 7.89_413.1936n 401.442587 270.8787979 261.8938134 316.0896399 308.7125074 756.6039061 490.0519257 456.3585641 214.1257272 196.3310026 447.8112463 213.6746514 401.5450976 241.7209424 190.2037754 235.2963039 228.0299585 226.5154177 404.4133051 136.9634664 254.8501153 297.248572 169.9856955 80.13110399 205.318376 382.5074429 315.2141641 146.1218534 100.7316057 160.1433516 172.6429968 133.4465641 335.6532724 114.5231753 158.9857491 460.9247657 195.5018373 83.53508063 286.9202882 219.9732016 370.4124195 152.2311808 150.3597368 189.7438159 138.7754244 219.8729559 215.8896745 397.3051968 197.1255954 29.61735087 159.2653205 310.5168704 150.08572 344.422618 152.1227995 38.92303203 139.5408936 220.513235 344.4308995 214.6595887 182.0986378 210.0613811 243.781241 421.6606723 155.9377159 299.7483929 285.6178154 346.5944012 189.2185408 142.5063143 204.3915982 273.8055472 270.845324 298.2980964 276.165082 265.449969 242.3531786 193.7352012 271.1326289 194.2074758 7.89_670.5044m/z 1684.933952 1667.423283 2009.633058 1705.715845 1624.985901 1488.69501 1850.167844 3861.521123 1527.028682 2062.71895 1905.920592 700.8276049 1187.275189 881.4437772 580.9797276 713.367953 1022.820964 1124.609404 816.2673432 901.1546649 766.1737184 1752.237484 900.2141414 44.52825236 792.3306067 1296.663054 975.8704983 607.7140874 768.2895563 1805.222301 501.1249234 829.5952024 593.6777056 964.4432517 1010.627655 560.6639649 786.0045133 851.3976289 856.296829 15.0114151 849.2186623 650.3643281 1415.263914 514.1269377 746.9858348 857.5976722 751.7252477 922.1152728 246.9384725 1188.335601 794.8133452 543.8958708 618.9425816 463.903981 508.3373988 648.7823662 985.7020441 591.1855457 1169.958732 649.1971055 560.5495582 127.9782145 1073.366049 561.9931043 817.2567789 670.2064842 419.9425229 567.8156704 1147.879496 745.1194987 1872.244537 881.0180176 570.8647383 649.2626563 652.7651051 1151.574751 754.8329038 775.8454328 1.52_356.2460m/z 817.6015446 800.4873735 911.6787109 795.2367545 904.7197926 1090.211803 1096.024435 1464.955337 700.1922078 1029.279238 1352.731388 650.7941438 904.1337894 651.8654711 440.0591764 429.9482983 802.2498273 739.2758875 844.6765044 573.3275846 524.3529602 1073.806973 699.3252931 29.99561124 613.0196632 35.38830307 1425.171776 573.4559099 323.3945683 507.698015 879.5805093 318.4685602 627.1935614 579.3152446 500.8411857 805.714872 441.8975401 497.6019755 5.462552226 671.7952027 776.4141269 17.06026228 570.183547 550.5056107 674.712068 562.5627228 539.7514141 803.8840706 596.3120406 649.8437878 211.3435823 749.7076592 536.9931163 430.2067463 545.7156016 247.8982564 301.1403701 494.2003566 772.6425354 565.5535097 856.8534578 363.0170164 515.2021362 165.811655 640.9850359 416.8099708 703.7283357 541.699345 297.7595157 509.482403 813.9181051 697.8608186 1294.006005 679.1603644 627.6453131 608.7987273 451.172198 771.3285853 667.3062448 575.6939665 17.73_1213.5794m/z 197.8901618 133.7936796 250.0903563 265.5945843 159.8273176 133.4180273 255.3277872 236.756796 149.4173676 114.9824195 64.87810344 48.20735236 72.56420697 62.41559865 22.86552171 63.14417556 103.9890314 105.874757 169.6986478 66.47276091 49.25074246 113.5814669 60.7276094 64.5305931 159.9498036 108.9963336 180.1136896 146.2817239 96.64399089 95.55743921 205.6428241 127.9725809 135.7981743 141.5122107 135.5185554 24.52059958 167.5768697 111.0698282 101.7189219 102.575976 183.1621181 99.92771279 121.126985 200.9305239 113.430337 169.4608093 250.7120039 31.4797412 52.2251989 124.8765855 105.3777288 102.4078487 23.90910966 85.04781639 93.5662655 116.4764712 69.7675293 89.15300863 144.1812054 140.1230443 152.1037193 179.1821532 448.8120615 51.54887221 163.1354026 219.0808839 239.0620885 54.86025792 189.7722783 139.0942542 299.6602322 139.6295974 77.4111757 68.97761058 17.13_630.4984m/z 272.3681689 359.9084781 256.0317696 389.2689875 302.3588164 286.8838621 488.5766579 497.6376001 482.079356 219.4902352 230.3260951 311.6589193 271.6910507 196.0581772 148.0895105 195.1584909 232.6921143 242.1712747 208.0040452 209.9301707 215.2175518 236.7896788 141.4420538 172.1207875 180.1821581 199.9860791 249.6533626 219.8553063 163.5983942 125.6740427 270.2479505 2.177984803 167.2205556 227.01739 167.9268057 151.848096 137.5896247 205.1884629 161.1006812 22.07_1212.1748m/z 1492.007032 812.2222514 879.6837383 664.4194967 830.6248075 781.6236583 1038.975219 829.8135917 718.3323659 685.5042174 1215.105256 877.1162253 776.0617738 580.3195449 400.5483505 681.2120882 953.9292751 318.4617775 776.7599429 534.651172 637.0108492 531.8192622 799.8339304 777.4383017 599.2473972 871.4573173 1948.951833 508.3132674 326.5785965 647.9855747 427.4402098 589.4812703 482.3869775 637.0323582 621.2971975 923.9769285 572.0879095 427.9755808 533.4535274 524.0109262 540.7784621 934.4896605 656.8162257 805.5154546 283.4433475 847.6162729 442.3286297 850.3840765 396.7263506 330.1526768 911.4601126 372.2263445 483.8520175 835.3994199 491.2199941 607.7377737 619.6117815 371.9629894 584.4882013 643.0509768 646.2084301 230.8144401 757.5713692 675.1832269 403.5487852 743.8183327 471.3569294 615.1039404 450.3964296 572.8442707 602.5797785 761.4229065 601.2756032 658.3564068 979.1429053 490.7534192 873.6297774 393.8102818 371.4105439 716.6670444 7.89_409.3128m/z 101.2382778 65.18364562 150.5264972 80.64721895 126.6448849 84.03200679 130.3237936 111.1097408 127.6615227 82.51007685 59.64350302 61.32577001 46.35446447 56.09368426 42.87333775 24.8451935 84.17902324 46.44975886 0.105747558 78.56952589 53.90421516 66.27254376 74.41971856 92.15903271 61.23777141 13.11388655 96.01825466 72.00516953 61.82692069 80.27372018 61.00306723 37.60028103 53.05521268 42.32061943 71.97720013 20.79040579 75.13942821 45.84960718 65.13996014 77.0722409 38.9249927 95.59125673 53.85323773 74.38258022 31.11310285 24.19829038 32.52553992 47.3477788 51.71078126 51.08759584 29.4889506 46.61533804 91.69536688 14.6935282 34.56322213 55.53726309 33.9021448 50.96276742 14.44703889 58.8952073 44.31950003 55.0633784 25.80844339 40.01997629 20.64724284 17.73381753 23.14845429 64.17632058 59.04886465 72.50668549 67.14712367 35.46279619 45.49380633 55.88577444 73.10376921 43.81326122 58.27266582 23.09372545 86.75498217 6.33_391.2719m/z 102.5180121 131.1166008 119.9589464 83.63567179 135.6069792 256.3705198 229.2154881 130.0572016 124.7564816 95.00082879 137.4981145 78.96951752 143.914405 62.23943954 75.54045126 89.62955169 89.21031802 72.0839322 272.1030416 68.48314315 29.91440588 112.256945 74.04522957 148.9321324 38.08590423 142.2764069 62.59094614 59.53517605 52.97202595 68.19596356 55.05052109 67.77570913 117.9865449 56.29630924 58.3784142 127.0586344 68.67389278 73.37024711 192.3000438 77.72198587 79.97595647 149.603231 40.42675608 47.28036452 44.4600755 52.9808946 79.38490827 157.5189982 32.40058571 117.2017999 60.64134718 94.82119968 52.94658955 83.97177242 80.47952655 48.69564341 112.3427492 44.44979163 104.4101039 130.2179223 53.65216982 59.62050044 41.3189104 124.0586622 48.20729994 74.57502648 129.9203224 126.3132835 118.6709032 56.07530741 69.33003769 64.22558761 118.787998 47.14907481 88.03705115 62.38902153 88.35939872 47.27889287 79.74170014 55.12000367 2.08_529.3888m/z 470.9074006 486.658015 622.1616432 602.8599636 683.2068744 608.8587877 658.511973 1331.938671 551.0278798 749.1810582 890.6794399 338.6114429 556.2957796 382.8580855 314.511682 315.0772339 644.1416085 439.8754017 390.8694148 367.770395 283.5454358 763.1689249 344.2750386 308.0378171 882.1315314 315.8863295 248.5943205 302.352859 662.2865602 273.2066951 283.0478335 342.8782524 384.9637578 418.7525254 289.7480569 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343.7663231 128.6692462 289.1020985 203.6336255 289.9943302 355.016913 344.1509038 427.4654378 483.0227783 462.4613346 290.5800337 361.8865258 318.3088202 443.5191085 361.897347 376.590726 619.8323244 257.0247049 222.2564216 329.3665521 594.7645805 449.4791423 458.1247853 273.0201872 254.0013383 239.2377359 233.167246 328.8380739 307.739498 360.2088606 304.6401086 467.6467025 251.8032727 493.4343855 517.5102755 367.1823566 540.1498922 432.7654556 432.2447297 562.4885376 495.832484 270.9476705 321.3972017 13.86_928.5656m/z 48.30587874 200.9296714 256.5969732 267.1802747 369.6434423 166.8177078 132.9072693 272.1686875 411.970213 315.3708465 210.4584592 182.5973526 298.4629287 373.3510131 289.4460407 399.8265393 148.2740134 261.7079005 125.7964254 287.0944196 113.5089052 54.93410785 442.2466114 284.0847616 211.9205012 291.208211 269.9588163 224.7365066 282.9471112 340.97458 349.0367731 277.012652 181.3245084 238.1134933 361.1784604 85.64450213 215.272849 376.8967887 348.1837054 308.670355 305.7456878 204.43016 237.8445481 217.3202992 275.2709866 428.5763959 315.0694364 225.7111611 461.4575043 374.4877761 489.49722 170.9629977 163.3347073 329.4562102 220.5801684 188.0425139 203.9594356 148.3524917 180.9757543 223.3964587 190.8578896 359.374069 280.3710702 296.3381381 389.3879312 278.873893 307.3055311 365.3609442 278.6808183 402.6070235 324.5356796 445.5013824 294.4554536 204.7981818 174.3676353 328.9282934 451.421727 296.6162034 340.6517069 229.1317649 7.89_254.1017n 159.1722588 114.7493023 93.89889984 103.4418288 96.70017051 182.3069496 127.9696563 120.1002995 85.49477998 73.67233861 139.7004036 62.18784499 123.8254969 85.55702899 40.13972741 85.69043614 84.30687879 74.09407927 143.8426976 59.68504828 65.44097151 103.9914126 64.30330527 118.0501711 47.39430368 934.9541691 142.5005009 75.65479154 30.44815403 83.49924844 54.92512421 44.31292533 63.32581647 57.64583064 43.42874384 88.36707859 83.84378105 27.22747757 156.6846187 111.8045246 60.72189921 144.9217145 64.27463315 52.6275105 36.64150367 67.05342605 47.916826 99.34407631 63.49045174 14.42800031 47.99324978 64.40603173 44.97008187 104.9864055 120.9485124 4.861833773 34.30722813 80.87385188 81.73136755 55.71907699 76.53464333 22.57382752 134.2810986 305.0945654 77.31272425 65.35206006 78.38567053 94.34715897 26.68007398 86.86672461 69.62099052 70.72865397 85.14181131 100.7315859 112.1011233 76.2879709 63.09253162 69.30937467 205.8339171 70.40537095 11.57_1282.4107m/z 170.1904757 181.1658496 242.9606516 262.4958222 279.9115449 78.45713266 54.82026446 212.9480344 308.3303274 283.9286801 298.070113 250.9483385 331.1041832 269.7429944 361.3001354 217.8162126 247.0359954 299.893432 205.3729413 285.0554281 372.735404 178.8978073 145.3151242 331.6323566 273.9995242 203.4554509 473.4469364 419.5835516 327.319596 375.2492466 394.309435 382.1802501 119.6720445 350.8988404 340.8156387 202.6368554 341.8493996 336.9892202 149.7979053 318.4100242 377.4398225 386.5904829 425.060894 371.0456742 192.5253803 190.7336793 373.7691597 73.34246912 375.0237433 449.8229864 269.4562018 41.6286522 358.2946373 342.8409721 286.9964395 492.7926443 348.7441148 305.3215027 141.2383253 266.5109056 317.4201502 260.9535371 329.3635788 222.5070293 361.8202082 271.1190107 354.1815797 243.0070761 388.8117544 211.5290183 401.5918487 368.3229663 492.0475754 401.8129446 406.8319854 326.7037318 399.2888059 394.8403644 161.7635258 328.2976364 19.03_715.6238m/z 396.2069924 518.8527273 561.0117259 857.0085958 674.7474876 473.711309 481.2619784 656.8722104 749.357022 641.3839867 668.4242259 406.2592847 795.4069938 648.0240009 661.8958989 725.2705545 565.0962276 1279.624996 944.1236612 713.2894589 618.0021864 769.7650662 337.790178 327.2340914 584.7701524 461.1726108 40.18347104 676.7929286 468.384918 781.056563 542.1552028 586.6899531 442.2957159 134.3444447 338.2945879 298.0503005 902.4002497 635.3081167 793.9560552 467.135742 442.3083619 467.8297191 634.9418025 507.3297798 575.5831629 373.4922474 444.2111537 728.2196325 370.5402479 785.7629915 665.4351216 455.522019 510.0185649 468.4280827 473.6240852 630.2190648 490.3498676 590.1373797 419.1173089 605.4410516 385.1931949 344.7196913 316.1078385 435.2597228 575.6911058 788.9540287 904.7967333 726.7494165 592.6888819 741.8324576 827.0451549 585.7414166 384.1136903 1353.634199 780.5004137 751.9592444 1112.594753 762.695528 539.7042136 443.0191098 6.70_639.5350m/z 416.6739874 580.3388231 660.5248074 563.085159 504.5038067 570.0446834 692.4930507 1291.55544 525.3157299 780.8592022 767.3705216 329.4142325 546.0795225 267.1850402 237.3902944 185.6843944 413.8068492 435.3987496 440.2610215 305.8365017 261.9827675 712.1901529 304.5139992 321.8002109 770.7607517 338.5477896 146.2297536 249.2999772 671.0864218 210.708438 340.0338688 292.4486065 296.4612321 482.5174906 187.6929399 280.504506 285.6022758 423.7407642 288.4188422 294.0688251 442.2975285 238.3957635 298.648634 385.2785544 324.5767977 392.6534044 111.5097312 355.7790731 273.80671 151.6178444 240.6174926 132.8699839 161.2297516 241.5469679 337.0909588 308.0413296 406.4186005 218.5685673 196.4094989 316.2387931 213.8505957 331.8757846 218.6972135 151.6154003 342.5484529 470.6456009 402.0563703 816.4259004 313.1291243 297.9425278 342.6372104 252.8147643 358.4586439 298.7595747 304.757185 12.40_951.5316m/z 1370.287935 1212.861107 1386.738217 1204.511183 1184.366634 1124.271499 756.1153897 964.332131 1686.920174 1187.266929 1012.042949 1327.023561 1594.009062 1269.325076 1219.218715 1448.937176 2013.582966 1529.887856 1211.806848 1097.046639 1144.458174 1390.602776 1405.72067 1765.304213 1487.768323 1893.440426 2231.367384 1344.561732 1115.020259 1167.276749 1475.168622 1505.526375 1147.328756 1334.149028 1302.613316 911.9791859 1604.523329 1211.064336 1841.318791 1422.999949 1296.970463 1408.36763 1573.508374 1361.147933 953.9243943 1467.556149 1292.62761 1137.193307 1189.970937 1567.854374 1120.064686 1053.653252 1416.736726 1187.256829 1266.225022 1208.759591 1202.178505 1173.073175 1402.206714 907.5792527 1489.448186 1185.641476 1422.850424 1643.269867 1179.336365 1497.730546 1181.832983 1814.725676 1315.943414 1477.993084 1312.882606 1516.316854 1088.531788 1546.64334 2063.888018 1320.914585 1425.280641 1169.961135 1666.46278 1517.998075 22.61_1292.3247m/z 902.4668638 601.1187716 659.2267134 908.6393468 736.0871531 748.4245966 713.2988134 664.3575123 815.6640716 447.5196537 921.1756114 554.7852273 867.5838081 637.3833275 439.7624979 457.8596379 696.2177996 515.1943104 703.1644206 412.3198242 451.0917986 429.7808631 448.7333568 427.0564351 517.9877618 627.9800279 1145.012437 474.6291402 307.1579504 409.3728507 417.4722533 377.6070287 459.5834359 357.7682707 478.0797486 739.7978146 598.9144254 130.9761459 468.5249202 501.4865326 523.1902767 722.2957925 553.2639424 547.6178757 244.8064689 633.0580705 507.0453783 541.8041167 499.8270127 561.443596 567.9883206 540.8862208 302.7487508 329.5728607 563.2382777 561.3962028 379.0466717 517.4344082 893.8478647 591.296748 485.2254347 299.9268798 546.9931325 613.0557374 445.7588512 475.5981114 179.1530515 612.4853431 535.8631141 737.6220446 632.4509259 383.9761259 397.6211166 493.190869 950.0920162 421.2300045 417.8954698 391.8961925 411.4538719 616.4360684 20.05_786.4044m/z 1861.429811 1101.630872 1199.985057 1201.432859 1019.091441 921.455018 1015.700498 837.067571 906.4923327 918.6151225 861.1078622 797.0471485 668.184602 849.189766 1000.887692 999.7069975 12.49588456 652.7470103 804.997124 821.4662476 761.4382731 778.9155469 813.8698672 744.2639521 1071.918813 850.6506788 740.7116488 25.38442473 727.0952053 21.40173949 798.6777603 873.0734406 699.46019 673.5596515 25.70757513 793.9135099 797.0193511 893.0539044 855.1361143 812.7568796 885.470121 13.5817531 931.807189 3.03_497.3618m/z 163.1163307 209.0327375 226.1388626 238.576235 240.4473297 228.0731898 271.1595387 425.8465211 234.7493873 365.3130877 333.4388062 154.2765553 207.8366546 161.0465902 103.4956833 104.2471852 224.4847743 197.1407771 132.2278419 144.4839953 116.2722033 320.4003686 143.420033 148.2541204 381.2166002 130.6816991 90.48270472 143.497153 295.1061184 104.5553338 124.56846 114.2186068 166.9355016 190.3066182 125.5764659 144.465412 150.8447261 159.1890175 131.1029637 130.9050518 242.2119493 96.37722853 97.1755411 166.724441 148.8480498 170.3752903 55.88798168 197.3552622 156.5196615 105.3786357 162.030644 66.14934879 76.45411056 132.669225 157.4986414 114.3514937 204.1986506 102.0664312 109.8140118 11.88312218 199.0323093 111.3067451 204.976186 126.7570927 100.3678191 121.8204509 225.5262612 143.5299901 353.9216678 138.6996163 145.5647254 104.7144558 120.9831914 216.5148929 199.2933774 132.5958658 22.20_1260.2073m/z 1213.002844 943.9766286 701.7593846 941.1869735 1138.741678 790.3974654 1229.21914 1158.265814 1108.327855 573.2334494 830.2189427 721.3352956 1312.544157 521.0417296 376.4551319 659.2900132 805.686663 722.9950987 1035.627706 628.4494268 607.814626 477.730322 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