#METABOLOMICS WORKBENCH tkind_20140626_9314301_mwtab.txt DATATRACK_ID:131 STUDY_ID:ST000081 ANALYSIS_ID:AN000132 PROJECT_ID:PR000058 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Metabolic Profiling of Visceral and Subcutaneous Adipose Tissue from Colorectal PR:PROJECT_TITLE Patients: Unraveling the Link Between Adipose Tissue and Cancer PR:PROJECT_TYPE biomarker study PR:PROJECT_SUMMARY This West Coast Metabolomics Center pilot and feasibility project was granted PR:PROJECT_SUMMARY Johanna Lampe (Fred Hutchinson Cancer Research Center at Univ. of Washington, PR:PROJECT_SUMMARY In the current investigation, unbiased profiling of the metabolome and lipidome PR:PROJECT_SUMMARY adipose tissue samples (visceral(VAT) and subcutaenous (SAT)) and serum of 50 PR:PROJECT_SUMMARY patients, including stages I-IV, from the Fred Hutchinson Cancer Center PR:PROJECT_SUMMARY and the German Cancer Research Center (Heidelberg, Germany) was conducted. The PR:PROJECT_SUMMARY and metabolome of adipose tissue (VAT/SAT) and serum were analyzed using PR:PROJECT_SUMMARY UPLC-QTOFMS analysis and GC-TOFMS analyses, respectively. The primary PR:PROJECT_SUMMARY of this project were to 1) compare the metabolome and lipidome of matched VAT PR:PROJECT_SUMMARY SAT adipose tissue of n=50 Colorectal Cancer Cell (CRC) patients, 2) PR:PROJECT_SUMMARY the associations between the lipidome and metabolome in adipose tissue PR:PROJECT_SUMMARY and serum of n=50 CRC patients and 3) test the associations between the PR:PROJECT_SUMMARY of VAT and serum with the tumor stage of CRC patients. PR:INSTITUTE University of California, Davis PR:DEPARTMENT Genome and Biomedical Sciences Facility PR:LABORATORY WCMC Metabolomics Core PR:LAST_NAME Fiehn PR:FIRST_NAME Oliver PR:ADDRESS 1315 Genome and Biomedical Sciences Facility,451 Health Sciences Drive, Davis, PR:ADDRESS 95616 PR:EMAIL ofiehn@ucdavis.edu PR:PHONE (530) 754-8258 PR:FUNDING_SOURCE NIH U24DK097154 #STUDY ST:STUDY_TITLE Metabolic Profiling of Visceral and Subcutaneous Adipose Tissue from Colorectal ST:STUDY_TITLE Patients: UHPLC-QTOF MS analyis of subcutaneous and visceral adipose tissue ST:STUDY_TYPE biomarker study ST:STUDY_SUMMARY This West Coast Metabolomics Center pilot and feasibility project was granted ST:STUDY_SUMMARY Johanna Lampe (Fred Hutchinson Cancer Research Center at Univ. of Washington, ST:STUDY_SUMMARY In the current investigation, unbiased profiling of the metabolome and lipidome ST:STUDY_SUMMARY adipose tissue samples (visceral(VAT) and subcutaenous (SAT)) and serum of 50 ST:STUDY_SUMMARY patients, including stages I-IV, from the Fred Hutchinson Cancer Center ST:STUDY_SUMMARY and the German Cancer Research Center (Heidelberg, Germany) was conducted. The ST:STUDY_SUMMARY and metabolome of adipose tissue (VAT/SAT) and serum were analyzed using ST:STUDY_SUMMARY UPLC-QTOFMS analysis and GC-TOFMS analyses, respectively. The primary ST:STUDY_SUMMARY of this project were to 1) compare the metabolome and lipidome ST:STUDY_SUMMARY SAT adipose tissue of n=50 Colorectal Cancer Cell (CRC) patients, 2) ST:STUDY_SUMMARY the associations between the lipidome and metabolome in adipose tissue ST:STUDY_SUMMARY and serum of n=50 CRC patients and 3) test the associations between the ST:STUDY_SUMMARY of VAT and serum with the tumor stage of CRC patients. ST:INSTITUTE University of California, Davis ST:DEPARTMENT Genome and Biomedical Sciences Facility ST:LABORATORY WCMC Metabolomics Core ST:LAST_NAME Fiehn ST:FIRST_NAME Oliver ST:ADDRESS 1315 Genome and Biomedical Sciences Facility451 Health Sciences DriveDavis, CA ST:EMAIL ofiehn@ucdavis.edu ST:PHONE (530) 754-8258 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 59 ST:STUDY_COMMENTS Lipidomics profiles for studyThis is the SAT and VAT part of the studyLabel-ID ST:STUDY_COMMENTS conserved for all parts of the study---The samples had to be diluted for ST:STUDY_COMMENTS mode measurements (therefore 2 dilutions are measured for the same sample). ST:STUDY_COMMENTS are then combined and scaling factor is used for final results. #SUBJECT SU:SUBJECT_TYPE adipose tissue SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:SPECIES_GROUP Human #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - QC01 Tissue type:Adipose Tissue_QC Tissue Weight=- SUBJECT_SAMPLE_FACTORS - QC 02 Tissue type:Adipose Tissue_QC Tissue Weight=- SUBJECT_SAMPLE_FACTORS - QC 03 Tissue type:Adipose Tissue_QC Tissue Weight=- SUBJECT_SAMPLE_FACTORS - QC 04 Tissue type:Adipose Tissue_QC Tissue Weight=- SUBJECT_SAMPLE_FACTORS - QC 05 Tissue type:Adipose Tissue_QC Tissue Weight=- SUBJECT_SAMPLE_FACTORS - QC 06 Tissue type:Adipose Tissue_QC Tissue Weight=- SUBJECT_SAMPLE_FACTORS Patient 1 SAT_1 Tissue type:Subcutaenous Adipose Tissue Weight=6.32mg SUBJECT_SAMPLE_FACTORS Patient 10 SAT_10 Tissue type:Subcutaenous Adipose Tissue Weight=4.42mg SUBJECT_SAMPLE_FACTORS Patient 11 SAT_11 Tissue type:Subcutaenous Adipose Tissue Weight=5.54mg SUBJECT_SAMPLE_FACTORS Patient 12 SAT_12 Tissue type:Subcutaenous Adipose Tissue Weight=5.52mg SUBJECT_SAMPLE_FACTORS Patient 13 SAT_13 Tissue type:Subcutaenous Adipose Tissue Weight=4.84mg SUBJECT_SAMPLE_FACTORS Patient 14 SAT_14 Tissue type:Subcutaenous Adipose Tissue Weight=4.76mg SUBJECT_SAMPLE_FACTORS Patient 15 SAT_15 Tissue type:Subcutaenous Adipose Tissue Weight=4.65mg SUBJECT_SAMPLE_FACTORS Patient 16 SAT_16 Tissue type:Subcutaenous Adipose Tissue Weight=4.56mg SUBJECT_SAMPLE_FACTORS Patient 17 SAT_17 Tissue type:Subcutaenous Adipose Tissue Weight=5.7mg SUBJECT_SAMPLE_FACTORS Patient 18 SAT_18 Tissue type:Subcutaenous Adipose Tissue Weight=5.23mg SUBJECT_SAMPLE_FACTORS Patient 19 SAT_19 Tissue type:Subcutaenous Adipose Tissue Weight=5.66mg SUBJECT_SAMPLE_FACTORS Patient 2 SAT_2 Tissue type:Subcutaenous Adipose Tissue Weight=5.31mg SUBJECT_SAMPLE_FACTORS Patient 20 SAT_20 Tissue type:Subcutaenous Adipose Tissue Weight=4.2mg SUBJECT_SAMPLE_FACTORS Patient 21 SAT_21 Tissue type:Subcutaenous Adipose Tissue Weight=6.31mg SUBJECT_SAMPLE_FACTORS Patient 22 SAT_22 Tissue type:Subcutaenous Adipose Tissue Weight=4.67mg SUBJECT_SAMPLE_FACTORS Patient 23 SAT_23 Tissue type:Subcutaenous Adipose Tissue Weight=4.48mg SUBJECT_SAMPLE_FACTORS Patient 24 SAT_24 Tissue type:Subcutaenous Adipose Tissue Weight=6.17mg SUBJECT_SAMPLE_FACTORS Patient 25 SAT_25 Tissue type:Subcutaenous Adipose Tissue Weight=5.13mg SUBJECT_SAMPLE_FACTORS Patient 26 SAT_26 Tissue type:Subcutaenous Adipose Tissue Weight=6.07mg SUBJECT_SAMPLE_FACTORS Patient 27 SAT_27 Tissue type:Subcutaenous Adipose Tissue Weight=4.49mg SUBJECT_SAMPLE_FACTORS Patient 28 SAT_28 Tissue type:Subcutaenous Adipose Tissue Weight=4.36mg SUBJECT_SAMPLE_FACTORS Patient 29 SAT_29 Tissue type:Subcutaenous Adipose Tissue Weight=5.2mg SUBJECT_SAMPLE_FACTORS Patient 3 SAT_3 Tissue type:Subcutaenous Adipose Tissue Weight=5.22mg SUBJECT_SAMPLE_FACTORS Patient 30 SAT_30 Tissue type:Subcutaenous Adipose Tissue Weight=4.78mg SUBJECT_SAMPLE_FACTORS Patient 31 SAT_31 Tissue type:Subcutaenous Adipose Tissue Weight=4.41mg SUBJECT_SAMPLE_FACTORS Patient 32 SAT_32 Tissue type:Subcutaenous Adipose Tissue Weight=5.25mg SUBJECT_SAMPLE_FACTORS Patient 33 SAT_33 Tissue type:Subcutaenous Adipose Tissue Weight=4.78mg SUBJECT_SAMPLE_FACTORS Patient 34 SAT_34 Tissue type:Subcutaenous Adipose Tissue Weight=4.82mg SUBJECT_SAMPLE_FACTORS Patient 35 SAT_35 Tissue type:Subcutaenous Adipose Tissue Weight=5.75mg SUBJECT_SAMPLE_FACTORS Patient 36 SAT_36 Tissue type:Subcutaenous Adipose Tissue Weight=5.82mg SUBJECT_SAMPLE_FACTORS Patient 37 SAT_37 Tissue type:Subcutaenous Adipose Tissue Weight=4.63mg SUBJECT_SAMPLE_FACTORS Patient 38 SAT_38 Tissue type:Subcutaenous Adipose Tissue Weight=4.53mg SUBJECT_SAMPLE_FACTORS Patient 39 SAT_39 Tissue type:Subcutaenous Adipose Tissue Weight=5.02mg SUBJECT_SAMPLE_FACTORS Patient 4 SAT_4 Tissue type:Subcutaenous Adipose Tissue Weight=4.61mg SUBJECT_SAMPLE_FACTORS Patient 40 SAT_40 Tissue type:Subcutaenous Adipose Tissue Weight=5.78mg SUBJECT_SAMPLE_FACTORS Patient 41 SAT_41 Tissue type:Subcutaenous Adipose Tissue Weight=4.98mg SUBJECT_SAMPLE_FACTORS Patient 42 SAT_42 Tissue type:Subcutaenous Adipose Tissue Weight=6.46mg SUBJECT_SAMPLE_FACTORS Patient 43 SAT_43 Tissue type:Subcutaenous Adipose Tissue Weight=5.82mg SUBJECT_SAMPLE_FACTORS Patient 44 SAT_44 Tissue type:Subcutaenous Adipose Tissue Weight=5.76mg SUBJECT_SAMPLE_FACTORS Patient 45 SAT_45 Tissue type:Subcutaenous Adipose Tissue Weight=6.55mg SUBJECT_SAMPLE_FACTORS Patient 46 SAT_46 Tissue type:Subcutaenous Adipose Tissue Weight=5.15mg SUBJECT_SAMPLE_FACTORS Patient 47 SAT_47 Tissue type:Subcutaenous Adipose Tissue Weight=5.96mg SUBJECT_SAMPLE_FACTORS Patient 48 SAT_48 Tissue type:Subcutaenous Adipose Tissue Weight=4.92mg SUBJECT_SAMPLE_FACTORS Patient 49 SAT_49 Tissue type:Subcutaenous Adipose Tissue Weight=5.65mg SUBJECT_SAMPLE_FACTORS Patient 5 SAT_5 Tissue type:Subcutaenous Adipose Tissue Weight=6.13mg SUBJECT_SAMPLE_FACTORS Patient 50 SAT_50 Tissue type:Subcutaenous Adipose Tissue Weight=5.2mg SUBJECT_SAMPLE_FACTORS Patient 51 SAT_51 Tissue type:Subcutaenous Adipose Tissue Weight=6.21mg SUBJECT_SAMPLE_FACTORS Patient 52 SAT_52 Tissue type:Subcutaenous Adipose Tissue Weight=6mg SUBJECT_SAMPLE_FACTORS Patient 53 SAT_53 Tissue type:Subcutaenous Adipose Tissue Weight=6.01mg SUBJECT_SAMPLE_FACTORS Patient 54 SAT_54 Tissue type:Subcutaenous Adipose Tissue Weight=5.48mg SUBJECT_SAMPLE_FACTORS Patient 55 SAT_55 Tissue type:Subcutaenous Adipose Tissue Weight=5.76mg SUBJECT_SAMPLE_FACTORS Patient 56 SAT_56 Tissue type:Subcutaenous Adipose Tissue Weight=4.7mg SUBJECT_SAMPLE_FACTORS Patient 57 SAT_57 Tissue type:Subcutaenous Adipose Tissue Weight=4.25mg SUBJECT_SAMPLE_FACTORS Patient 58 SAT_58 Tissue type:Subcutaenous Adipose Tissue Weight=4.63mg SUBJECT_SAMPLE_FACTORS Patient 59 SAT_59 Tissue type:Subcutaenous Adipose Tissue Weight=5.21mg SUBJECT_SAMPLE_FACTORS Patient 6 SAT_6 Tissue type:Subcutaenous Adipose Tissue Weight=5.05mg SUBJECT_SAMPLE_FACTORS Patient 7 SAT_7 Tissue type:Subcutaenous Adipose Tissue Weight=5.27mg SUBJECT_SAMPLE_FACTORS Patient 8 SAT_8 Tissue type:Subcutaenous Adipose Tissue Weight=5.36mg SUBJECT_SAMPLE_FACTORS Patient 9 SAT_9 Tissue type:Subcutaenous Adipose Tissue Weight=6.66mg SUBJECT_SAMPLE_FACTORS Patient 1 VAT_1 Tissue type:Visceral Adipose Tissue Weight=5.86mg SUBJECT_SAMPLE_FACTORS Patient 10 VAT_10 Tissue type:Visceral Adipose Tissue Weight=5.81mg SUBJECT_SAMPLE_FACTORS Patient 11 VAT_11 Tissue type:Visceral Adipose Tissue Weight=5.84mg SUBJECT_SAMPLE_FACTORS Patient 12 VAT_12 Tissue type:Visceral Adipose Tissue Weight=5.26mg SUBJECT_SAMPLE_FACTORS Patient 13 VAT_13 Tissue type:Visceral Adipose Tissue Weight=5.08mg SUBJECT_SAMPLE_FACTORS Patient 14 VAT_14 Tissue type:Visceral Adipose Tissue Weight=4.85mg SUBJECT_SAMPLE_FACTORS Patient 15 VAT_15 Tissue type:Visceral Adipose Tissue Weight=5.38mg SUBJECT_SAMPLE_FACTORS Patient 16 VAT_16 Tissue type:Visceral Adipose Tissue Weight=5.4mg SUBJECT_SAMPLE_FACTORS Patient 17 VAT_17 Tissue type:Visceral Adipose Tissue Weight=5.98mg SUBJECT_SAMPLE_FACTORS Patient 18 VAT_18 Tissue type:Visceral Adipose Tissue Weight=5.77mg SUBJECT_SAMPLE_FACTORS Patient 19 VAT_19 Tissue type:Visceral Adipose Tissue Weight=4.41mg SUBJECT_SAMPLE_FACTORS Patient 2 VAT_2 Tissue type:Visceral Adipose Tissue Weight=4.32mg SUBJECT_SAMPLE_FACTORS Patient 20 VAT_20 Tissue type:Visceral Adipose Tissue Weight=5.02mg SUBJECT_SAMPLE_FACTORS Patient 21 VAT_21 Tissue type:Visceral Adipose Tissue Weight=4.79mg SUBJECT_SAMPLE_FACTORS Patient 22 VAT_22 Tissue type:Visceral Adipose Tissue Weight=5.39mg SUBJECT_SAMPLE_FACTORS Patient 23 VAT_23 Tissue type:Visceral Adipose Tissue Weight=5.3mg SUBJECT_SAMPLE_FACTORS Patient 24 VAT_24 Tissue type:Visceral Adipose Tissue Weight=5.16mg SUBJECT_SAMPLE_FACTORS Patient 25 VAT_25 Tissue type:Visceral Adipose Tissue Weight=4.8mg SUBJECT_SAMPLE_FACTORS Patient 26 VAT_26 Tissue type:Visceral Adipose Tissue Weight=5.92mg SUBJECT_SAMPLE_FACTORS Patient 27 VAT_27 Tissue type:Visceral Adipose Tissue Weight=5.26mg SUBJECT_SAMPLE_FACTORS Patient 28 VAT_28 Tissue type:Visceral Adipose Tissue Weight=5.14mg SUBJECT_SAMPLE_FACTORS Patient 29 VAT_29 Tissue type:Visceral Adipose Tissue Weight=4.72mg SUBJECT_SAMPLE_FACTORS Patient 3 VAT_3 Tissue type:Visceral Adipose Tissue Weight=5.22mg SUBJECT_SAMPLE_FACTORS Patient 30 VAT_30 Tissue type:Visceral Adipose Tissue Weight=6.21mg SUBJECT_SAMPLE_FACTORS Patient 31 VAT_31 Tissue type:Visceral Adipose Tissue Weight=5.91mg SUBJECT_SAMPLE_FACTORS Patient 32 VAT_32 Tissue type:Visceral Adipose Tissue Weight=5.26mg SUBJECT_SAMPLE_FACTORS Patient 33 VAT_33 Tissue type:Visceral Adipose Tissue Weight=4.35mg SUBJECT_SAMPLE_FACTORS Patient 34 VAT_34 Tissue type:Visceral Adipose Tissue Weight=4.52mg SUBJECT_SAMPLE_FACTORS Patient 35 VAT_35 Tissue type:Visceral Adipose Tissue Weight=4.64mg SUBJECT_SAMPLE_FACTORS Patient 36 VAT_36 Tissue type:Visceral Adipose Tissue Weight=4.77mg SUBJECT_SAMPLE_FACTORS Patient 37 VAT_37 Tissue type:Visceral Adipose Tissue Weight=4.72mg SUBJECT_SAMPLE_FACTORS Patient 38 VAT_38 Tissue type:Visceral Adipose Tissue Weight=4.73mg SUBJECT_SAMPLE_FACTORS Patient 39 VAT_39 Tissue type:Visceral Adipose Tissue Weight=5.53mg SUBJECT_SAMPLE_FACTORS Patient 4 VAT_4 Tissue type:Visceral Adipose Tissue Weight=4.59mg SUBJECT_SAMPLE_FACTORS Patient 40 VAT_40 Tissue type:Visceral Adipose Tissue Weight=5.01mg SUBJECT_SAMPLE_FACTORS Patient 41 VAT_41 Tissue type:Visceral Adipose Tissue Weight=5.32mg SUBJECT_SAMPLE_FACTORS Patient 42 VAT_42 Tissue type:Visceral Adipose Tissue Weight=5.35mg SUBJECT_SAMPLE_FACTORS Patient 43 VAT_43 Tissue type:Visceral Adipose Tissue Weight=4.74mg SUBJECT_SAMPLE_FACTORS Patient 44 VAT_44 Tissue type:Visceral Adipose Tissue Weight=5.45mg SUBJECT_SAMPLE_FACTORS Patient 45 VAT_45 Tissue type:Visceral Adipose Tissue Weight=5.61mg SUBJECT_SAMPLE_FACTORS Patient 46 VAT_46 Tissue type:Visceral Adipose Tissue Weight=5.31mg SUBJECT_SAMPLE_FACTORS Patient 47 VAT_47 Tissue type:Visceral Adipose Tissue Weight=5.15mg SUBJECT_SAMPLE_FACTORS Patient 48 VAT_48 Tissue type:Visceral Adipose Tissue Weight=4.46mg SUBJECT_SAMPLE_FACTORS Patient 49 VAT_49 Tissue type:Visceral Adipose Tissue Weight=5.05mg SUBJECT_SAMPLE_FACTORS Patient 5 VAT_5 Tissue type:Visceral Adipose Tissue Weight=4.1mg SUBJECT_SAMPLE_FACTORS Patient 50 VAT_50 Tissue type:Visceral Adipose Tissue Weight=4.65mg SUBJECT_SAMPLE_FACTORS Patient 51 VAT_51 Tissue type:Visceral Adipose Tissue Weight=6.01mg SUBJECT_SAMPLE_FACTORS Patient 52 VAT_52 Tissue type:Visceral Adipose Tissue Weight=4.64mg SUBJECT_SAMPLE_FACTORS Patient 53 VAT_53 Tissue type:Visceral Adipose Tissue Weight=5.14mg SUBJECT_SAMPLE_FACTORS Patient 54 VAT_54 Tissue type:Visceral Adipose Tissue Weight=5.01mg SUBJECT_SAMPLE_FACTORS Patient 55 VAT_55 Tissue type:Visceral Adipose Tissue Weight=4.71mg SUBJECT_SAMPLE_FACTORS Patient 56 VAT_56 Tissue type:Visceral Adipose Tissue Weight=4.32mg SUBJECT_SAMPLE_FACTORS Patient 57 VAT_57 Tissue type:Visceral Adipose Tissue Weight=5.23mg SUBJECT_SAMPLE_FACTORS Patient 58 VAT_58 Tissue type:Visceral Adipose Tissue Weight=6.12mg SUBJECT_SAMPLE_FACTORS Patient 59 VAT_59 Tissue type:Visceral Adipose Tissue Weight=5mg SUBJECT_SAMPLE_FACTORS Patient 6 VAT_6 Tissue type:Visceral Adipose Tissue Weight=5.41mg SUBJECT_SAMPLE_FACTORS Patient 7 VAT_7 Tissue type:Visceral Adipose Tissue Weight=5.97mg SUBJECT_SAMPLE_FACTORS Patient 8 VAT_8 Tissue type:Visceral Adipose Tissue Weight=5.74mg SUBJECT_SAMPLE_FACTORS Patient 9 VAT_9 Tissue type:Visceral Adipose Tissue Weight=4.5mg #COLLECTION CO:COLLECTION_SUMMARY - CO:COLLECTION_PROTOCOL_FILENAME Data_Dictionary_Fiehn_laboratory_CSH_QTOF_lipidomics.pdf CO:SAMPLE_TYPE Adipose tissue: #TREATMENT TR:TREATMENT_SUMMARY Adipose tissue: (1) Subcutaenous Adipose (2) Visceral Adipose TR:TREATMENT_PROTOCOL_FILENAME Data_Dictionary_Fiehn_laboratory_CSH_QTOF_lipidomics.pdf #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Data_Dictionary_Fiehn_laboratory_CSH_QTOF_lipidomics.pdf;Subcutaneous_and_Visceral_Fat_Extraction_Protocol.docx SP:SAMPLEPREP_PROTOCOL_COMMENTS see Subcutaneous and Visceral Fat Extraction Protocol.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY UPLC CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity CSH C18 (100 x 2.1mm, 1.7um) CH:COLUMN_NAME Pre-Column CH:METHODS_FILENAME Data_Dictionary_Fiehn_laboratory_CSH_QTOF_lipidomics.pdf CH:COLUMN_PRESSURE 450-850 bar CH:COLUMN_TEMPERATURE 65 C CH:FLOW_GRADIENT 15% B to 99% B CH:FLOW_RATE 0.6 mL/min CH:INTERNAL_STANDARD See data dictionary CH:RETENTION_TIME See data dictionary CH:SAMPLE_INJECTION 1.67 uL CH:SOLVENT_A 60:40 Acetonitrile:Water +10mM Ammonium Formate +10mM Formic Acid CH:SOLVENT_B 9:1 Isopropanol:Acetonitrile +10mM Ammonium Formate +10mM Formic Acid CH:ANALYTICAL_TIME 13 min CH:CAPILLARY_VOLTAGE 3500 CH:TIME_PROGRAM 15 min CH:WEAK_WASH_SOLVENT_NAME Isopropanol CH:WEAK_WASH_VOLUME 5 seconds CH:STRONG_WASH_SOLVENT_NAME Same CH:TARGET_SAMPLE_TEMPERATURE Autosampler temp 4 C CH:RANDOMIZATION_ORDER Excel #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME WCMC Metabolomics Core AN:SOFTWARE_VERSION MassHunter AN:DETECTOR_TYPE TOF MCP AN:DATA_FORMAT .d #MS MS:INSTRUMENT_NAME Agilent 6550 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:CAPILLARY_VOLTAGE 3500 MS:COLLISION_GAS Nitrogen MS:DRY_GAS_FLOW 13 l/min MS:DRY_GAS_TEMP 200 MS:FRAGMENT_VOLTAGE 175 MS:FRAGMENTATION_METHOD Auto MS/MS MS:ION_SOURCE_TEMPERATURE 325 MS:ION_SPRAY_VOLTAGE 1000 MS:IONIZATION Neg MS:PRECURSOR_TYPE Intact Molecule MS:REAGENT_GAS Nitrogen MS:SOURCE_TEMPERATURE 325 C MS:DATAFORMAT .d MS:DESOLVATION_GAS_FLOW 11 l/min MS:DESOLVATION_TEMPERATURE 350 C MS:NEBULIZER 35 psig MS:OCTPOLE_VOLTAGE 750 MS:SCAN_RANGE_MOVERZ 60-1700 Da MS:SCANNING_CYCLE 2 Hz MS:SCANNING_RANGE 60-1700 Da MS:SKIMMER_VOLTAGE 65 MS:MS_COMMENTS ESI/QTOF MS analysis (negative ion mode) #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples QC01 QC 02 QC 03 QC 04 QC 05 QC 06 SAT_1 SAT_10 SAT_11 SAT_12 SAT_13 SAT_14 SAT_15 SAT_16 SAT_17 SAT_18 SAT_19 SAT_2 SAT_20 SAT_21 SAT_22 SAT_23 SAT_24 SAT_25 SAT_26 SAT_27 SAT_28 SAT_29 SAT_3 SAT_30 SAT_31 SAT_32 SAT_33 SAT_34 SAT_35 SAT_36 SAT_37 SAT_38 SAT_39 SAT_4 SAT_40 SAT_41 SAT_42 SAT_43 SAT_44 SAT_45 SAT_46 SAT_47 SAT_48 SAT_49 SAT_5 SAT_50 SAT_51 SAT_52 SAT_53 SAT_54 SAT_55 SAT_56 SAT_57 SAT_58 SAT_59 SAT_6 SAT_7 SAT_8 SAT_9 VAT_1 VAT_10 VAT_11 VAT_12 VAT_13 VAT_14 VAT_15 VAT_16 VAT_17 VAT_18 VAT_19 VAT_2 VAT_20 VAT_21 VAT_22 VAT_23 VAT_24 VAT_25 VAT_26 VAT_27 VAT_28 VAT_29 VAT_3 VAT_30 VAT_31 VAT_32 VAT_33 VAT_34 VAT_35 VAT_36 VAT_37 VAT_38 VAT_39 VAT_4 VAT_40 VAT_41 VAT_42 VAT_43 VAT_44 VAT_45 VAT_46 VAT_47 VAT_48 VAT_49 VAT_5 VAT_50 VAT_51 VAT_52 VAT_53 VAT_54 VAT_55 VAT_56 VAT_57 VAT_58 VAT_59 VAT_6 VAT_7 VAT_8 VAT_9 Factors Tissue type:Adipose Tissue_QC Tissue type:Adipose Tissue_QC Tissue type:Adipose Tissue_QC Tissue type:Adipose Tissue_QC Tissue type:Adipose Tissue_QC Tissue type:Adipose Tissue_QC Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Subcutaenous Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Tissue type:Visceral Adipose Cer (d34:1) 27325.7500 31364.7500 30731.9316 27316.4512 29635.4316 45483.5508 22133.4970 24233.2327 36553.5241 26865.7350 20594.4905 29420.9169 16523.3629 28265.4729 20982.1563 16393.6537 22547.7498 24879.1214 36792.2061 23273.3384 29339.9588 45516.4926 24103.8148 24162.7014 15555.7236 22194.6361 17823.6666 27486.4389 17509.9639 23723.5552 35482.6433 21059.8717 24823.2095 35587.6880 21990.9035 33986.1603 26897.4905 14002.1040 27595.1467 34832.8193 19346.8351 21549.7537 20279.7700 20418.8094 23076.3991 29922.7934 29194.6867 29678.4062 65601.8960 29519.4621 14471.9712 563.3547 18799.3423 14542.1924 23025.4621 13606.4052 21370.7055 43831.8276 57894.0625 34204.8777 15656.2894 24395.0959 41131.4820 58319.2376 29332.5738 40113.7912 48447.2051 45804.4935 21406.0309 51078.2134 43383.0581 50594.6721 41239.6810 16455.5729 29947.6244 45719.5472 44451.1628 65178.3374 51466.5971 23037.8975 43736.0038 88390.0345 44793.7663 43992.7550 41510.9687 33401.2076 35387.9891 39160.6015 53487.1805 54304.1356 34707.4063 36977.6311 61275.0752 39429.5023 41985.6239 45293.3701 29690.8922 58341.1117 53677.2833 46892.6288 44709.7774 37697.3642 32887.8787 39235.1168 25351.8584 47009.5229 36020.4907 34449.7180 49609.6225 35526.6220 25369.7959 29733.3611 36988.1971 40581.6399 25850.3540 36487.8997 47209.5676 42788.2297 28363.2334 44589.1094 39379.9099 37684.5392 47824.6135 41477.3915 Cer (d38:1) 5722.1128 6064.8809 6126.7949 5803.5942 6424.9580 10047.0254 2850.2323 2866.3220 2224.1779 4890.1341 2587.6029 4379.4079 1476.3873 2957.0918 3228.9966 2688.0611 2477.5777 5168.8952 4330.2014 3473.1983 4518.3979 4027.9187 3672.6996 2506.4647 2716.6279 4234.5164 3627.0590 3776.1292 2056.0808 3686.2933 4478.8591 3578.2024 3829.3845 3843.5436 2859.8979 4669.8128 3950.6053 1533.7658 3709.3027 4827.2851 3017.9800 2500.8268 2795.2346 1935.4999 4571.9113 2738.1614 3651.7391 4864.4430 5646.0685 3708.6197 3967.9726 296.8299 3909.8240 1768.3683 3094.0199 3461.8657 2214.3135 5813.4916 6754.6938 5031.2853 2201.5039 2634.1217 5883.4073 6004.3608 4533.1199 8948.0589 6113.2615 3763.0260 5632.9833 8209.7168 6882.9288 4478.7167 6368.4805 4965.1083 7533.4858 4587.3893 10160.2015 8402.6151 12137.7779 4201.5537 3656.6448 17171.9791 6191.2659 8630.4486 8082.0062 6433.3539 8089.2660 6868.7445 7801.4378 8355.0796 7299.7829 7085.2646 11382.9702 6695.0984 11939.0713 7498.4710 4966.4572 8460.8616 10909.9424 10025.6089 4652.4906 6113.1608 4674.5914 6464.2950 3707.0944 3989.5677 7881.1779 5539.8201 7239.9269 9119.8933 5396.1783 7175.5830 6165.4179 9990.6647 6662.8847 5610.5776 14041.0190 7614.3521 5934.6190 4689.4517 5893.9220 10849.0442 8801.5060 8941.8424 Cer (d39:1) 1760.1008 1757.4867 1990.5940 1837.8660 1622.7891 3173.1404 948.6685 1437.8282 1375.4729 1962.8840 1232.6704 1904.5627 956.5944 1706.8281 1713.7521 999.7876 945.3500 2007.7642 1730.9142 1621.8243 1799.7823 1782.2001 915.6035 1617.2564 956.3942 1657.9912 1759.7415 1837.4951 942.6272 1663.7354 1582.1247 1162.2255 1392.2860 1478.2183 1110.1445 2730.7393 1389.4456 896.4425 1883.5331 1526.5258 1476.9444 978.0068 1063.4131 1018.0791 1834.8404 936.2444 1854.4098 1853.6080 1613.8312 1653.4167 1818.3221 262.5699 1600.5949 720.8399 955.6749 1912.4838 1079.2659 2137.2340 1978.8672 1958.1427 1215.6261 1030.6963 2089.3816 1864.1657 1594.0513 3047.6199 2389.9541 1284.4233 2065.3956 4190.0313 2057.7379 1166.7621 2903.2604 2425.9766 1984.6566 1865.6946 3550.4992 2271.5836 4731.9815 1609.0109 1455.6126 3696.7338 2549.4820 2496.9346 2796.2783 2252.8024 3523.3258 2374.5725 3386.2415 1383.1732 2505.2233 2310.7798 4127.5521 2049.5182 6575.2368 2887.5624 2062.7539 3149.0860 3771.6503 4464.7702 1235.0307 2277.1674 2393.3075 2876.3146 1305.6080 1480.2260 2565.1194 2104.6028 2100.1013 3104.1694 1496.8331 2279.4187 2335.9722 2906.4547 2925.5193 1782.4285 4216.1080 2283.1880 1694.8876 2208.4246 2167.5186 3315.5859 2087.9432 2456.9377 Cer (d40:1) 46601.6328 48150.9307 50063.7578 44302.7432 48621.0010 45556.5205 18780.9947 25738.9192 37279.5278 38544.9325 64591.2879 49569.8027 36811.9272 43739.2648 28212.8872 20033.9678 69500.1631 33719.8461 31127.2444 34294.5404 37979.0959 42546.0717 25751.5574 49005.0779 20657.0500 35558.2175 29605.1283 37728.9081 15677.8312 43825.4701 50059.9080 31422.3986 27003.9180 37469.7104 24960.6564 40234.5025 37424.2895 21493.4260 42798.7279 52300.7590 29727.6987 17182.5255 24321.6768 30800.2397 35509.7029 36385.2528 44203.6692 33393.2147 30585.5276 24217.5340 27151.0884 960.7010 25596.8134 13695.7760 33807.5428 26027.8775 41191.4347 53661.1941 58609.9471 75229.3308 16124.7235 48781.1509 54579.5908 59316.0018 64373.4252 45016.5282 36064.3590 35965.4825 40833.1610 134887.2532 72376.2383 56378.8854 61466.5654 30093.6030 39766.0092 117808.9879 60377.3691 56025.2496 80143.5058 34470.6497 43742.2161 97675.1756 91957.5246 72703.8327 67650.9940 47298.6372 59912.1973 42678.5463 63893.7937 41930.1915 49370.8728 43092.3491 72364.2837 39174.4669 65205.1641 51688.9204 43068.4161 61757.9608 66181.5577 77156.0141 24074.9291 44899.5053 45751.7389 66658.5507 32617.2136 30780.2440 42780.8452 37308.0343 34841.5223 56536.1471 41567.8239 39710.2421 39746.4547 49239.9104 40508.3096 71681.2394 68233.1498 59231.1353 52436.0575 31000.3555 83519.8905 65801.1329 61238.5467 75625.4156 Cer (d40:2) 14968.1123 15108.9336 16418.5332 15038.5264 16717.5723 13746.9062 5433.4137 5862.7891 4904.2026 10597.6518 6362.5614 6055.0568 3660.7876 6666.0499 9580.3908 7962.9392 5718.4567 9807.7450 9169.3801 6197.5709 9658.2669 9122.2725 8312.5198 8667.5290 6434.7706 5312.9780 7194.5454 6650.0127 5158.9009 7268.2099 6112.6784 6415.1595 9913.3403 14112.0737 4007.8371 10276.7800 7276.8507 2718.1504 9187.6206 8721.6336 4884.3099 2804.8436 5643.2807 2861.7497 10439.9185 4990.7968 4718.9832 8433.8158 5357.2209 5697.0098 6537.9820 147.5592 8298.4421 4364.1024 6119.3389 6431.5760 4457.9591 7971.6122 12265.3688 9253.5951 4588.6095 5245.8187 6924.8228 11583.0306 6691.2648 12199.0038 8718.0331 5472.4180 12027.9806 21639.9772 8087.6384 5684.8948 14146.4744 10257.7292 14518.0283 10924.8180 10218.4686 11646.5923 19148.4579 8182.6118 4069.3802 35784.3046 12752.8727 20787.3898 11804.1565 9756.6355 12380.9421 16500.8924 12797.7273 4734.8224 16347.5764 15038.9604 27496.0289 8095.3822 19552.4437 14158.5248 9648.1299 11626.7792 22911.7668 17052.8533 3615.4627 11316.3999 6831.4302 16537.8619 5766.8044 3917.6984 13009.1901 7681.1233 5136.1932 17897.5634 13908.7754 7596.6261 15621.8283 17327.5968 13249.7593 8908.8625 27836.9909 12018.9795 6580.7220 8040.4683 9352.9624 23991.4645 11417.8233 10569.4369 Cer (d41:1) 11671.8208 12192.1870 12241.3110 11346.3721 12778.4326 23633.6299 7765.7038 11934.6885 15426.9958 14970.9331 8055.7690 12525.7568 7187.0608 11405.5668 12503.5392 6712.9361 5169.2673 13315.2439 12190.3884 10629.0900 13307.8864 13293.1328 7975.1166 8919.5081 5012.4552 11438.8517 7503.6008 16272.9934 6505.6367 13716.3341 12354.0637 11659.5791 10489.4504 10572.0453 7502.2809 13533.7946 10593.8275 6584.8693 11694.7041 11341.5374 12134.6837 9154.2655 10349.3592 9010.7565 14865.1131 7165.6708 14365.4714 16032.5805 16136.5471 11664.2219 11099.9527 635.0919 9735.2030 4995.8307 7376.5749 9882.0934 6669.2607 23075.7376 16675.9295 13649.9192 7825.6025 7039.6023 21283.2430 17338.2140 11272.7791 21535.5920 18838.5268 16246.8521 16664.9657 26600.0986 17444.7850 14504.1368 19521.1634 16465.5280 13910.7236 11061.3059 24253.3196 19798.7523 33736.0774 12854.0650 13929.0182 36050.4520 22100.5056 19725.7674 20660.7893 15795.7393 25578.3567 21269.9915 21833.5590 15579.1611 20739.3172 16317.0820 22195.0857 14281.3363 34032.8633 15585.9773 19580.2825 20075.3075 19503.1318 35789.6921 14342.4848 22254.9522 25095.4044 26038.4972 8550.7334 11598.9119 23823.1123 21199.7443 17292.1730 24954.3219 11278.3565 16618.5061 19195.4172 16029.9652 18787.7273 13374.8891 23207.0346 18984.0240 12926.2875 16789.3965 15584.4564 20965.9332 20816.9362 17354.0609 FA (18:1) 22921.1465 23047.7188 27137.1582 22619.5254 26743.5996 10316.0137 5785.3869 7249.3477 3853.6042 11865.8553 7825.4218 8537.4689 5662.1094 5495.4823 1938.1384 6061.0739 15034.5265 5662.2082 13496.3228 8671.7048 8572.9202 10151.5198 8050.5114 13443.5450 6470.3468 16479.1301 10840.4362 14347.2628 7325.6967 6524.0024 26964.8681 1770.0602 6231.9964 18580.3537 22746.2823 19271.1102 16344.4176 8275.5189 9390.1173 12074.6742 8744.1440 3504.9110 15118.6720 10114.3132 14553.3481 21291.9743 10335.8313 19954.8995 5172.3926 4055.6187 5211.5982 271.0472 4316.5816 7167.7970 9645.5566 6332.0299 4310.5439 3768.3300 12713.4295 16477.4747 4862.0268 3582.4419 2605.2149 9942.6944 11018.6185 8041.2298 4948.3598 4239.4150 2962.5277 8863.5417 8390.8334 4769.6411 8437.9639 2492.7101 8726.1656 8909.8424 7441.4068 8288.3612 12962.8600 4997.4553 3114.5254 7880.2902 17461.7004 9525.6620 21380.3377 27887.7390 3517.1126 2995.4448 3780.6406 16569.5177 2298.2879 20361.8220 5167.9207 12248.5972 20009.9847 9381.5866 4045.0251 5891.7521 12651.4991 18046.3390 3085.9448 3526.3843 3184.7241 4953.0117 3871.5777 4902.3971 3577.1247 4325.9535 21043.4329 8948.3339 24498.1267 5776.6633 3403.9359 13048.8813 8051.5663 9109.7295 12722.1352 7486.6101 11389.4745 6338.8203 7032.4152 8532.1170 8242.1662 13314.0017 PC (32:0) 2634.3945 3072.8364 3199.5576 2911.6917 2934.5444 6239.3652 3332.1989 2474.1001 7509.8908 4171.0289 2712.0697 3651.0510 4961.0661 3672.7991 2116.9014 2062.8492 3976.7980 2474.1625 3898.6354 3210.1393 2603.1575 5554.0608 1197.1289 3919.0122 2472.2104 3052.7363 3652.7889 3150.5139 3539.0821 3133.2474 4503.3662 5887.2545 2918.5375 3589.8539 2258.0093 7385.1616 5818.1279 2890.9594 4122.5853 2915.8602 3105.3030 2965.9166 1968.1194 3177.4363 3689.4620 4026.1611 4369.2838 4668.1813 7155.5474 5715.0382 1637.2359 285.9375 1771.1514 2535.2201 1853.5804 2178.4490 5797.3777 5123.9585 6238.1440 6851.4149 1818.2726 6364.3381 4905.9836 5638.4405 4859.6712 5691.5600 6311.2079 5641.2550 2649.4178 6573.7853 7225.8970 8690.0449 4531.2084 2677.1800 5430.7483 7076.9425 7913.9263 16882.6919 6700.7677 3028.6347 5635.9334 5953.5485 9158.6466 4592.5107 5657.6011 4175.1201 4773.6242 4753.3707 6865.2415 9381.9896 4433.9256 4056.6008 7613.9056 5291.4292 9460.0654 6750.2002 3770.2433 17966.0993 6899.1417 4869.1509 10798.4087 4558.4788 3735.3799 5215.4790 3541.8183 15094.1086 4838.2500 6668.6995 16009.5026 3733.6601 2568.4772 6006.0507 4417.1842 6305.8512 2401.7358 4711.1542 7370.0782 4401.1464 4818.0741 6127.4473 4701.8529 5405.1311 4839.5048 7051.2657 PC (32:1) 3508.2771 3597.7578 4382.0166 3130.0017 3957.6277 4967.0166 2315.1983 3960.7804 3300.5763 2328.7743 4673.8120 2617.0685 3681.5361 2713.1899 3161.1562 1841.7378 6510.8673 3476.0850 2854.0365 2293.9525 2677.3925 4825.1452 2365.5604 5032.7577 1179.8849 2388.8192 3175.3602 4426.2695 3880.2530 4185.2450 6977.6509 2639.0032 2144.7544 2358.0454 3066.4774 5997.4810 4122.1397 3473.6417 3078.4063 2316.0636 3643.3507 3555.2307 2376.3630 5747.7205 2451.0591 3199.4256 4332.7708 4190.8713 6873.0871 5259.1767 2394.0370 204.0406 2601.1175 3369.1754 1441.9803 2518.3598 4843.8818 5747.9087 5249.8679 4062.6110 2874.6317 5046.3664 4840.5613 4398.5486 3165.5339 3693.4485 4533.3510 3792.7250 1848.5228 5882.0628 3986.7263 5402.2548 3586.6347 2668.9402 3061.3502 8899.4229 5906.1799 6902.1570 4650.4747 2299.5730 2699.2006 7569.9255 5393.4113 2691.3186 5523.8497 3729.5708 4855.9063 7436.8013 5580.2586 8501.7722 3497.0562 2652.7697 4843.1202 4946.7868 6897.1784 5257.1080 3731.0853 5827.5074 4061.6277 7139.7722 6176.6417 4106.6434 6306.3604 6304.2055 2413.3196 7378.0649 5034.6130 8368.1422 4061.6564 5534.7353 3466.0794 4530.3470 7085.8554 3221.2071 3994.4294 4106.2273 4060.0007 2814.6721 3520.2693 5124.6196 3098.4742 3175.9162 3090.8337 4149.8703 PC (34:1) 17433.3633 18671.0371 18566.3926 16186.0938 17613.6387 22075.1602 9658.2557 15060.5955 27243.9044 17041.1306 13426.2927 11426.0572 21963.9281 16080.7056 13466.3763 8366.6815 15187.5880 15830.7825 19495.2962 13574.5577 13693.7588 23343.6192 9675.8517 22291.2364 8096.6443 12503.4441 14664.8666 17830.2979 12771.6369 16260.4368 22367.6215 18588.3315 11384.9475 14474.4230 14227.0015 21730.6080 19151.1035 12660.8450 17126.8014 12903.2959 15946.2299 18404.2655 15133.8571 16780.8993 16129.0470 14121.9421 25807.3460 19098.8442 39453.1647 24172.2172 10057.4873 417.7686 12542.0983 10079.5386 8801.2517 10256.9170 19050.9474 20633.6748 25271.2523 20826.9270 9229.5278 20806.3680 19490.2455 22418.8852 15692.5896 18815.7647 25825.6542 24470.6814 11146.3126 21981.6068 24515.0673 39547.5502 22641.3231 10520.9536 18697.1167 27716.5732 25431.0144 40345.2596 27280.6751 11774.2275 23793.1751 43250.1287 45183.6751 20202.6648 25490.1007 18329.4987 20559.0179 24120.1041 21645.9104 36768.6191 22647.7914 14773.8697 25841.5873 23421.8413 31592.9045 27061.9600 15229.6759 47564.8522 20415.0625 33664.4328 37732.0437 24658.3619 21993.4896 23536.5629 11872.6717 39780.4812 19302.0878 44187.5394 28094.3437 18842.0208 15214.1780 18013.6784 23369.0586 17354.5853 14692.9247 15837.8263 26956.3825 16971.0598 17892.3739 24284.2656 16406.0190 20056.2938 18707.5587 24721.0894 PC (34:2) 13174.7207 14074.5137 15868.0391 12896.0225 14955.5918 24425.1367 9266.4733 11187.9794 32502.3268 15887.3609 11141.9224 10505.0818 26473.9142 13960.6302 14494.4250 8105.0962 12335.3759 10129.7458 15163.3812 11023.4847 17613.6932 20882.2545 7093.9249 12791.2564 6845.7876 14121.0807 12429.0245 17499.2751 9727.9768 11639.0723 19142.4120 18935.8575 15379.3353 12009.2297 11720.6683 12006.4643 19276.0213 13557.9093 17255.6298 12637.7006 16005.6144 17474.2780 17878.2471 13536.5246 15592.6158 12616.4227 18309.3522 17531.7350 36481.0285 22156.1912 9775.2417 321.3942 9000.3247 8025.4370 9121.0905 9789.7807 14459.1641 34161.2866 23269.5359 21140.3740 7537.6656 16029.2340 29377.3608 20490.8593 15732.0245 20277.2421 17096.7654 29219.9272 13479.4346 17559.9452 20069.2171 44027.3438 21370.7863 12205.7844 18542.6184 26121.0738 20308.2275 30311.4884 29513.2274 15997.4182 25055.8207 38045.2247 33858.9762 19694.3937 33328.0507 17584.7538 25499.3607 20825.8407 15508.8991 24818.0223 26102.3423 21662.9063 32535.3637 22182.5982 23277.1902 26231.2964 19234.9448 38278.0395 26776.0459 40821.9265 31063.3481 31462.7483 19477.0673 28420.8465 12835.1211 27500.4193 22956.9535 48847.9759 12350.2553 19387.7322 13849.1516 16109.7731 20700.4352 20768.3172 14454.4485 18049.8192 27715.4360 19319.6291 19548.0877 17942.2188 15812.7022 20358.8875 20645.6405 24264.4423 PC (36:1) 4134.9111 4012.7739 4411.6514 3835.3223 3921.4153 2935.3765 1234.1794 2529.9078 8572.2929 4237.9854 2232.2017 2345.8429 4208.9896 3089.7134 2542.3937 1367.4420 2137.0619 2559.3499 4410.1603 2674.7755 2673.4347 3280.2045 1966.7565 2735.0739 1331.3150 2283.1246 2624.2214 4573.4023 2332.9858 4324.0803 2871.2668 4603.1627 2084.5582 2251.0951 2495.6549 2127.9752 2280.2415 1650.1660 3341.6714 3092.7451 3165.3339 3328.6898 4223.2878 3779.1035 3783.7728 2190.5907 5277.2575 3534.5799 7834.0945 4574.5670 2292.8049 222.2285 1884.2966 2298.4202 1814.8399 2350.1990 2166.5469 5115.5299 4834.2009 2708.3603 2054.1566 2358.6728 4671.5827 4045.6561 2337.3752 2546.8740 4647.1605 5652.1594 2823.5214 3752.2847 4268.6257 6926.2940 3210.8066 1851.1712 3242.3121 3418.4587 4538.6839 7851.7337 5267.2494 2164.6681 4538.5940 11426.2373 5826.0244 3785.5431 5660.6473 3650.5338 4383.1565 4953.4384 4738.8049 5489.2004 4449.1087 3052.1549 3840.0263 4197.6513 4157.7102 3930.9408 2466.6234 8343.8471 3342.9407 6595.9136 7220.4975 6041.1612 5712.5342 3794.9806 2177.1789 7353.9023 3879.6304 8086.7701 4914.0142 3242.3843 3871.5445 3171.4015 5537.3767 2848.0222 2581.1383 2479.0975 4285.9551 2623.5709 2651.3927 4742.7139 2427.2520 3241.2872 2853.3000 3474.4447 PC (36:2) 8889.6318 8582.1191 9186.8799 7889.0142 8913.6348 8404.2910 3220.9782 5116.1872 22204.0487 8905.3256 4316.2131 4544.1402 11002.6094 5939.8996 7070.3373 3780.6740 4647.4182 4358.8849 8877.6303 5572.6870 7754.4003 7584.9686 3551.8231 4248.1806 3002.1949 6294.6701 4756.4563 8851.2554 5071.4069 7026.9479 7523.5106 11222.8339 6631.9800 5292.9429 5487.1497 4151.4054 5916.2872 4919.1011 7144.1957 7288.3036 6701.9406 8075.9792 10637.5623 6271.3535 8479.7957 5501.1122 8818.6912 8195.6590 15713.3908 10514.8196 5235.7769 288.9247 3474.8924 4086.8233 5058.4211 5420.3424 4959.5634 16489.8791 12069.2176 8488.0276 3653.8955 5314.0190 15037.1566 9708.0880 6975.8814 6704.2728 7824.1524 16178.1173 8607.3987 8017.8127 7811.1459 18860.9342 8502.7904 5869.9784 7675.9852 9356.0301 10109.9616 15531.2121 12302.0647 7780.3151 9850.0295 22349.3103 10311.4838 9348.2806 15336.6551 8447.6399 12566.9194 10048.2370 8615.9798 9346.1567 13638.8362 9818.0911 9943.4231 8975.9490 7224.7757 10820.8246 7147.3969 15467.7258 10383.9359 17673.7677 15228.5936 16797.5175 9487.2470 10223.7735 6628.4093 14030.0086 10036.3973 18681.2356 6246.1798 7774.1455 7490.6481 7187.4309 10144.0188 9021.5433 6452.7186 7662.8812 10421.4907 6655.7174 6918.9030 8140.2178 6253.8877 7846.4073 8408.8437 9126.6710 PC (36:3) 2659.4148 2736.2891 2855.8188 2627.8120 3030.1487 3499.4265 1645.4107 1997.7581 8655.8948 2193.6197 1795.8564 2423.2319 7999.0623 1916.3867 2313.9702 1311.4517 2338.0399 1640.1950 2688.8596 1849.1867 3412.8708 3968.8078 1279.5526 2440.5713 1383.1484 2292.4881 2256.0995 3635.3649 1618.4962 2616.5105 3771.8163 5316.2142 2562.3378 2117.1222 2744.2739 2848.2475 4395.6481 2688.6167 2410.3644 1976.5495 2371.0078 4801.9260 4863.9419 2894.6422 2259.1979 3152.0232 3340.6060 3504.6665 9840.2377 4176.1118 1570.8185 260.8387 1598.4570 1584.5684 1600.4589 1765.4224 3795.7946 7585.2747 5015.9622 4604.4484 1443.8086 3642.7945 5792.3628 3870.8109 3388.5857 3054.3827 3497.8664 8805.3321 1892.8519 2994.8216 3892.3300 12006.0790 2955.3948 2450.1406 2963.4957 4696.6611 5165.8896 7361.4380 3915.1479 3110.1756 4366.9484 5899.2759 5983.9981 2880.9984 4863.4126 2672.8542 4601.0975 3926.4931 4296.6934 4077.3347 5405.5594 3851.1722 4609.1017 4857.5671 4306.9631 6536.9402 3454.7153 6675.4448 4089.2539 5748.0883 9822.2950 7473.0565 3459.4482 4347.6786 2418.9995 6780.1875 4531.4704 13476.7552 2684.3975 3751.5950 2831.2673 3221.3793 4210.5205 3734.9692 3001.3377 3551.5005 4523.7009 2943.4336 3558.2682 3968.2751 2982.1974 3127.8628 3098.4184 4840.3657 PC (36:4) B 4913.0840 5037.6343 5461.3442 4623.2544 5267.9873 8027.6299 2853.4930 3567.5875 10573.2572 4328.1657 6699.8155 5087.5706 7696.9805 5977.1932 3910.7148 3335.7522 7305.8513 2206.7365 4527.4304 4292.7943 4345.7426 7185.1120 2457.1193 4194.6557 2256.6968 3020.7381 3284.0817 4783.6956 4645.6182 3577.0749 5910.2775 7324.8400 2962.1355 2628.0933 3022.9951 6027.5166 3485.0776 5653.2616 7566.0931 3236.0970 3822.2542 5418.0496 3677.7484 6500.1468 4166.1267 3854.4978 5787.8423 4784.7950 16225.3567 11165.9525 2333.7353 262.4438 1708.8940 4257.0072 1848.3895 2416.4758 8696.3162 7607.6115 8362.1071 5938.0969 2670.5681 9282.7177 6329.1775 7665.2650 4251.0341 6710.2730 6334.9139 7653.7325 2960.0487 11447.7731 11668.9473 11089.0097 8728.8068 3206.3719 5337.2966 9782.9883 6538.8472 13990.2139 10656.7791 4608.1484 10001.8960 10175.5229 6685.8637 5009.3046 6262.3138 4544.7210 5852.1754 7080.6150 6407.8190 7959.5685 7285.7295 2870.1163 7770.2329 5640.4698 9568.2969 6758.9111 6368.4067 22493.9852 5818.1769 9023.3157 13051.5467 5508.5098 5788.8745 5611.8854 5303.5978 12757.1734 4052.8368 15753.6402 8160.7141 3562.9892 5071.8199 5153.9597 6801.0164 4881.0551 2862.2523 6403.1011 11494.7227 4752.3177 7583.6198 7392.2515 5628.6987 8887.7967 5166.8995 9301.1296 PC (38:4) 2684.6907 2893.4568 3184.5276 3077.5703 3314.4883 3184.5552 1500.0333 1682.4603 6797.6458 2559.4995 2442.3364 2224.7250 3844.3979 2815.6176 1681.8593 1649.3432 2679.8223 977.1168 2831.1323 2389.8765 2473.2175 2683.1657 1223.6974 1466.2004 1252.0711 1937.2015 1781.3173 2487.1800 2234.5810 2663.2328 2795.5167 4957.6246 1483.5749 1966.7448 1509.0484 2726.2731 1744.5521 1835.0939 3109.6148 1414.8536 2239.2094 2441.1403 1958.4999 3108.4062 2384.9350 1809.8359 2434.9771 2903.7115 6930.9320 5209.5297 1195.1224 246.6880 850.4218 1982.0270 992.3156 1335.8696 2774.3846 3819.7647 4798.7526 3052.2100 1253.2699 3094.2953 3562.1864 3668.3564 2286.7745 2931.3479 3632.9297 3984.7191 1534.8652 4836.4315 4409.6695 5256.9294 3666.0021 1661.7489 2928.1990 3849.2703 3110.0405 8652.1346 5563.7645 2909.3067 4233.4164 5753.8608 3173.5499 2370.1122 3587.2527 2082.0256 3023.8764 3193.1068 4025.7193 3203.1188 4229.4732 1853.9224 3843.9871 2964.4115 4230.5696 2754.2220 2281.4467 11132.7295 2554.6112 3576.5527 6861.6475 3047.7039 2959.2476 2378.9096 2972.6506 7312.1267 2156.4631 6824.4612 4802.0426 1538.3342 3028.2093 2474.6459 3160.7866 2345.8387 1724.0992 2432.2261 4745.5693 1961.7808 3198.5470 3979.8171 2558.7025 3588.5368 2484.6472 3932.1178 PE (34:1) B 1411.5216 1485.1278 1458.0911 1193.4294 1574.2534 2517.3062 1511.7196 1620.6534 2724.9339 1842.9915 1536.3186 1505.8960 2257.1533 1569.5497 2201.0273 1006.5442 2002.3485 2371.7694 1547.5288 1242.0525 1907.4574 3000.6035 817.8995 2725.5222 1109.7727 1339.0795 1934.6599 2074.3232 1662.9937 1250.0290 2524.0885 2261.2109 1539.3841 1185.9079 1535.2158 2036.1133 2772.6603 1597.2015 1730.5709 1133.4056 1554.9043 2424.7515 1421.7711 1530.3379 1619.7159 1071.4380 2278.9781 1864.5810 5083.1785 2492.8482 1185.5500 0.0000 1730.0591 1526.0881 836.4044 1155.1373 2829.6507 2575.7451 2829.0915 2154.6565 1038.3679 2732.6701 2187.3047 2660.3644 1732.6627 2424.5183 2202.2106 3300.3454 1504.1931 1505.2215 3338.1401 4146.4345 2153.9117 1386.9155 3087.9488 2782.1920 3594.5293 3132.0772 2487.9981 1788.7229 2146.9814 3383.0874 4743.1269 1502.8733 2664.8114 1406.0449 2079.4984 3347.7019 2720.6571 3210.9741 2727.4474 1331.8561 2632.1438 2751.1263 3999.4132 2992.6132 2795.3074 4723.2266 2184.9406 3055.3461 3512.7726 2578.5236 2241.7461 2804.2048 1106.9976 4033.2735 2598.7158 4739.3022 2003.9708 2720.1202 1343.1101 2589.6090 2990.3541 1837.3933 1885.3153 1917.3984 3655.1782 1737.5255 2617.8605 1959.2153 2052.6958 2731.9393 1897.5099 4142.6530 PE (36:2) B 2194.9065 2607.5640 2746.7900 2752.7805 2466.5540 2045.8051 1268.0005 2395.2598 6192.1047 2910.9544 2034.9310 1857.9771 4821.4865 1675.4348 2575.6001 1563.0727 2177.3578 1833.3336 2665.2507 1927.1658 3312.1322 2986.4066 1106.8627 2191.3451 1087.6155 2101.1179 2081.7161 2737.4671 1619.3770 2185.8638 2886.7702 3185.3225 2967.9594 1938.8556 1471.5630 1443.9419 3074.7400 1673.5649 1984.8760 2319.0121 1884.1912 2488.2494 3023.4553 1840.8522 2943.1091 1772.2984 2385.2551 2523.0105 5281.8038 2440.0684 1718.7187 195.7416 1733.7664 1400.5640 1448.1773 1973.5493 2460.0114 4088.3636 3299.1918 2844.1887 1522.1455 2833.6266 3451.1369 3488.6181 2494.0376 2200.3118 1428.0996 5142.4234 2062.9214 1483.5684 2960.0191 5431.1319 1978.3427 1753.7738 2186.9925 2959.9695 3789.8365 2590.0859 4161.4137 2034.6730 2416.0951 4278.4438 4460.2010 2293.6616 3851.7022 1296.5489 2677.2050 2566.0003 2823.6919 1854.2968 3466.8851 3218.2376 2805.0526 2450.8538 2417.6481 3737.0541 1950.9024 4070.1845 3327.1245 4523.9492 3969.0125 4265.6515 2353.3096 3221.8472 2114.0977 4332.0869 2537.4170 8076.2452 1011.9669 3012.6102 2306.2350 2747.9339 2749.9405 2695.7583 2225.4695 1955.6081 3217.1701 1756.4092 1944.4448 1573.6100 2164.0778 2230.2211 1978.0161 2694.4973 PE (38:4) B 6441.3057 6204.7593 6716.1240 6015.4399 7076.0669 4777.2993 2958.0524 4274.9973 9887.3886 4889.0040 5509.6779 4682.4423 5182.5006 4294.5369 4944.8572 3228.5565 5179.4593 2405.3010 4342.7522 4373.2775 4631.7058 5121.5908 3211.1197 4176.3052 2054.5304 3063.0505 4341.8991 5937.9409 4134.4046 4283.9894 5024.0426 6294.8605 3284.4218 3610.0737 3045.3596 4231.8988 3099.2339 2912.0054 4544.7103 4091.9025 3215.1282 5231.6576 4348.5493 4435.3992 4464.9234 3286.9785 3997.2528 4539.7011 13243.2087 6138.5656 3134.4424 209.6154 2222.2442 3234.2092 2625.6656 3115.6155 7045.2368 6090.9133 8774.6542 5190.4149 2800.3513 7678.9546 5630.4485 7744.9623 4126.6258 4290.4778 3110.6789 8328.1200 3548.3881 3593.4460 7682.5246 6545.7736 5699.6659 3090.1014 5809.0558 5875.6073 6902.7823 6777.6516 9916.0003 3924.6172 6080.0588 11601.6022 6976.9053 3636.6375 6227.3395 2689.1555 5511.6753 7076.3519 6720.9563 3198.8034 5245.2778 2657.7429 6996.0543 4598.4813 6608.1072 5456.4675 4168.9389 13075.1194 4757.2476 7985.8876 10005.0095 4567.0127 5291.4030 5138.2602 5409.0539 11155.8684 3426.4580 13788.1582 2758.9682 4549.3256 5309.8008 4616.7114 6578.2092 4653.6139 3183.5611 5060.5723 7364.0973 2725.9400 4252.9684 2873.6367 4817.5141 5426.9696 3242.2200 6734.9349 PI (38:4) 5923.1919 5994.0840 6764.5918 6090.2515 5990.7983 12477.2949 5830.0507 7698.3869 12057.2091 12633.7307 8727.2172 6548.1183 9477.6073 8805.6341 6979.3671 5755.5256 9757.4114 5610.8794 9591.2301 9511.4440 7186.6113 6805.4145 4962.8154 12389.2420 4294.1710 7673.7286 10076.8181 9391.5246 4813.5907 8469.4625 9804.4472 11110.3599 8669.9658 8677.2643 5896.6105 9528.4445 8177.4897 6398.8067 6671.1324 7586.4756 8164.4621 7277.2756 7572.3941 6953.4988 9880.6398 6260.9241 7796.5598 9425.9992 14124.8253 8487.3704 6219.0969 206.1268 4545.8532 4363.9465 5558.0795 6076.2102 10547.7431 9134.8467 14818.4065 10686.7417 5520.1268 12451.4697 8309.6908 15037.6368 8713.2513 11668.3037 10526.5874 6620.4562 9310.7260 16329.3822 12577.2612 15829.3031 11084.8144 6079.7948 9355.6583 13522.5074 11723.9176 18276.0793 14567.4990 4678.6294 9068.6376 22740.2154 21213.3545 9103.0909 13300.7274 8696.9778 11420.2095 8276.3008 8453.7210 14671.9246 10774.8782 9566.0471 14050.4647 7686.7760 12507.0796 10384.5773 7750.3866 12679.7105 9420.8750 17630.8243 12325.9773 12285.6564 10203.0601 12603.2952 8638.4517 12098.4563 8453.3383 20321.7708 11621.9446 7821.7660 5158.0934 7923.5608 9544.9208 7070.3909 5909.0130 6879.1260 11817.3003 8320.1174 7423.8321 9745.8662 6887.9295 10164.1688 9310.6149 11458.1803 plasmenyl-PC (34:2) 3668.4817 2842.7612 4614.2100 3597.5969 3953.7170 4263.6025 3121.2904 2813.5553 3528.1987 5527.5813 3239.6712 2183.9353 3815.2953 3271.4525 4570.0534 1517.6417 2498.0065 2105.9046 5893.6122 4423.3712 4397.6037 6821.6525 1628.7606 3702.0954 2262.3011 3601.5002 7517.4146 3552.5198 2588.9691 3973.5669 4043.5074 2461.7778 6636.6932 4438.1580 3857.5866 4556.7673 5362.4834 1793.9038 3170.8505 4550.6467 3402.4101 1420.6148 2826.3930 2563.1282 5692.3006 2818.4982 3940.3695 5714.4399 1771.2051 3396.1951 3240.8449 157.7261 1862.1260 2242.6819 3051.9110 3319.3564 3623.3580 4393.4015 7585.3975 6288.4993 2093.1858 4051.3887 4182.3953 5471.3932 4773.7737 3252.5928 1411.4888 1802.5404 2623.7900 3647.3014 3488.0059 5579.3099 3167.1909 1876.6343 2273.1111 3742.3998 2019.4476 3911.9572 6659.6486 1754.0928 4103.9712 6534.7441 4741.0868 3884.3470 4779.5382 4046.6727 3143.0543 3212.5548 2133.4745 3489.2929 3114.1654 4559.5675 6953.8607 2762.1255 4203.0725 4748.6355 1260.9022 4110.5268 4986.9286 6372.5990 1629.5282 3165.0320 1561.3069 5377.6775 2565.0778 1162.9190 5652.5500 2148.1694 1004.7241 3508.8435 4004.3334 1699.7571 3314.8893 4370.2654 2836.2696 2503.0639 4537.3018 2618.2161 2270.5667 1390.0088 2264.6703 3489.9951 2930.5745 2806.4263 plasmenyl-PC (36:4) 4509.5889 4053.4844 5701.7266 4135.7407 4913.0005 4502.3232 2896.8817 2300.1587 2106.2732 3713.8092 5931.3854 3626.3020 2995.5916 5568.9708 3556.1920 4500.4374 7919.8209 2110.2904 4902.3972 4446.4647 2988.2917 7809.6117 1918.2914 3785.8577 2749.6294 1644.5295 4711.7595 2556.7326 3125.3145 2715.8377 5271.7878 2043.8198 2950.7209 5538.8219 1831.1326 7354.0433 5289.2391 2395.4650 3363.0284 4297.3696 2309.3232 1223.8960 948.5827 3681.5387 3726.9741 4622.2913 3100.0510 3167.3400 2445.8137 3502.1914 1976.9074 204.2318 1898.4310 2469.7129 2705.7913 1769.6905 9749.2150 1687.2769 7182.4115 5753.7043 1772.0851 10120.4962 1488.0423 6001.3947 3925.7695 4449.9753 1617.9619 906.6794 1449.5014 5689.8804 3743.8351 2703.6087 3775.1038 1463.0609 2368.4264 6828.9803 2170.1284 4132.4701 3917.6352 1236.8272 2836.3330 3553.1803 1679.9170 2723.4872 1372.6430 2095.7874 1715.7369 2260.9524 1793.6497 3009.4653 1641.6567 1616.3974 4808.2437 1979.5472 4716.6633 3991.4411 1216.5468 5511.3338 3252.6903 3393.7496 2204.2418 1002.4966 1095.0825 2422.1104 3268.5971 2032.6601 1805.8290 1866.8688 2318.7947 2026.8885 4526.0459 1827.1017 2412.8526 2408.8194 1605.6158 2633.2736 6088.4360 1744.3689 2638.4275 1591.1454 2438.3164 4530.3736 2106.8041 3370.3781 plasmenyl-PE (34:1) 2978.5186 2495.2180 3136.9519 2613.4915 3096.6426 3876.2200 2489.5029 2900.9062 4672.8599 4455.6407 2839.5522 2612.5881 3949.3337 2635.2536 2933.7205 1640.5641 2868.3765 2825.3629 4097.7792 2509.6517 2802.7788 5636.3896 1821.7136 3765.6785 1727.8928 3320.4949 3687.0711 4731.3345 2952.1707 4246.6878 3216.4481 3877.1403 3184.3839 3269.6589 3689.7295 3371.0589 3921.0632 1597.1765 2358.0592 3190.0847 3103.1500 3255.7910 2914.8805 2946.1695 3579.2673 2339.3096 3980.8153 3971.6514 5038.1887 4482.6418 2955.3944 0.0000 2257.9790 2007.0526 2167.9651 2470.1469 2700.1067 4693.6970 5626.2115 4529.2911 1870.3177 3611.7809 4979.9119 4892.8929 3607.1462 3837.9223 2984.8786 3431.3488 2637.9627 2560.2789 4379.1806 7223.4336 2956.7385 1926.8950 3707.7789 3649.5876 4422.7507 5418.4123 4988.7782 2170.0886 4355.8225 7951.6299 8633.6528 3984.4150 5671.9107 2839.5443 3869.9007 3943.6774 3855.7129 4753.5204 3438.5870 3446.3037 4343.2617 5125.8203 6646.7475 4735.1943 1931.2985 9397.9695 4672.5404 5517.1795 6717.2227 3494.9972 3985.0616 4634.1774 1534.9710 4440.6242 4980.3901 5208.9888 11077.9993 4337.1025 2703.4705 2677.0598 3620.9262 4391.7783 3236.5669 2858.9951 4418.0787 4126.2823 2581.3836 3094.2725 2834.2138 3353.0502 4313.0597 3863.5571 plasmenyl-PE (34:2) 3019.1311 2654.8577 3386.1006 3192.4917 3907.2612 3034.4412 2895.4945 3147.5372 7354.4327 5584.6938 2144.2838 2048.8340 4414.3591 2421.4239 3999.2723 1083.2230 1266.8388 2143.0751 5849.4088 4302.3598 5241.9481 4308.8957 1843.0344 3179.7636 1388.1961 6912.0409 5251.2084 5821.3097 1720.2544 6049.6504 2388.8889 3668.9595 7349.8581 3060.1981 4410.3906 2720.9550 3395.3053 1650.6402 2466.3796 3295.9811 4272.1146 3741.2600 6361.6101 3012.1500 4228.6356 1627.4809 4312.0103 6170.7084 6519.6404 3912.8539 4973.8100 236.7604 1811.8265 1716.3894 2169.3278 4852.9351 1444.5243 9490.3715 5335.1551 4486.7974 1837.5821 1810.3664 8685.9388 4592.6796 3213.5706 2992.5331 1809.3856 5962.1235 4582.9591 1591.3844 3863.8750 8537.6930 3118.1005 2229.1597 3046.1680 2032.9391 2678.5010 3367.3767 9523.1042 3049.2840 5205.7479 9004.2753 12192.1244 3852.3588 13475.3483 3423.8668 7096.8519 4235.1626 3978.8793 2395.0734 5896.8441 7901.1663 5787.9514 4973.5418 3976.9359 4593.1495 1803.9340 5117.9111 6250.0372 9810.1366 4611.9013 6897.5586 4878.0641 7577.6403 1609.3301 2242.4038 8602.9790 9210.6408 1053.2102 6562.0838 3292.0799 1869.1597 3472.4963 4615.0582 4614.0073 2634.5552 3138.1401 2399.1933 1671.3726 1736.2661 2722.0057 2815.1839 2825.8112 2441.8015 plasmenyl-PE (36:1) 1548.9150 1420.3921 1981.0425 1667.0901 1545.5957 2209.4585 910.7777 2378.7201 4642.3450 2684.4354 1320.1704 1514.8277 3387.9528 1987.5281 1435.9097 779.9660 1203.4662 1558.2439 2757.6768 1864.0071 1498.5146 2864.5071 1263.9610 2061.4785 1442.6322 1196.7045 1947.6951 2260.0670 1377.2461 1615.2198 1867.8648 2890.4767 1523.9070 2121.6025 1980.8585 1829.1962 1975.9636 853.3073 1326.0678 1893.4959 2037.4272 3616.7353 2350.3781 1086.7533 2260.9268 916.3347 3169.2364 2101.4830 3436.7480 2464.3185 1421.9706 180.3338 1359.3958 1173.2496 1300.9277 1409.6748 1682.0805 4228.7803 2476.6854 1989.3107 1472.5559 1850.6117 3486.8349 2600.5948 1539.3844 2061.9467 3027.6980 3479.6425 1988.6449 1687.8525 3242.3581 5782.6513 2424.2915 1059.9960 2086.2639 1942.4711 3061.8696 2838.9328 3278.4648 1543.5129 3205.4906 5962.2807 6492.8101 3365.6202 3603.7523 1984.2175 2394.8923 2388.1141 2209.1304 2942.9545 3030.6561 2013.7989 2883.1274 3960.4258 3648.9544 2886.2548 1253.2377 5146.7660 2831.7188 3197.0446 4948.2615 2808.1262 2603.4698 2401.6129 944.1923 3087.4950 2801.1861 3478.2458 3690.8225 2718.4034 1382.7856 2192.1645 2493.4929 2394.6407 2232.2845 1775.6025 2841.9187 2132.4979 1507.0366 2954.0818 2191.0761 2072.9402 2052.3833 2058.8962 plasmenyl-PE (36:2) 2443.3916 1845.1545 2777.3843 2073.5940 2582.8784 2461.3904 1518.0106 3634.9703 15037.6858 4861.6559 1568.5238 1733.6555 7071.9637 1942.5035 3050.0045 1163.8146 1363.8344 1642.9308 5169.5295 3651.6237 4895.4456 4037.5366 1932.9703 3029.5206 1304.8574 3750.0005 3538.0969 4186.4685 1468.2445 3279.3518 1790.7186 5317.5391 4494.9159 2193.3624 4444.9868 1769.0623 2486.9285 1170.0699 1622.2621 2437.5474 2965.0822 6585.7537 6576.9874 1733.2075 4214.4780 1151.7388 4096.6091 4150.7769 8527.4480 3385.9939 3048.9422 171.2903 1677.1427 1400.6850 1909.3645 3259.3188 1829.1304 10022.1929 3649.0016 2297.4951 3042.7110 2075.6657 9280.8933 3760.2890 1950.7642 2190.5865 3231.6703 10633.2247 4437.4898 1574.0521 4145.6382 12319.3278 3737.8264 2699.6831 2564.5009 1803.2890 3258.1505 3355.7533 8903.3142 3205.6572 5966.9475 11170.8577 13162.3647 4568.5153 11098.7646 3627.0001 5705.3786 4944.7774 3861.1689 2301.5300 6292.2438 5351.1752 5016.5335 5716.5643 3415.1279 3748.5390 1677.7273 5696.1138 4246.8855 6469.3586 7889.9761 8821.9699 5231.9841 4746.1126 1245.8368 2844.3555 5419.2193 10565.2907 2889.4140 4242.7160 2276.9229 2393.0922 4275.6874 3968.7524 3248.4482 2952.7899 2646.0665 2163.1046 1578.3105 3479.1487 2675.7919 2205.0062 2285.4784 2181.2743 plasmenyl-PE (36:4) 12967.7266 11373.8125 15759.3525 12458.4961 13702.6963 14128.0137 8926.1815 7968.2479 12845.1831 11735.9849 13027.1440 9409.3315 10189.0373 12876.6233 11307.0818 10970.3269 15236.9562 8299.2999 14385.7120 9889.9959 10698.7430 18166.4941 5852.5288 11893.0645 6816.2880 8950.7657 10601.9377 12376.7137 9697.2245 11208.1335 14944.4345 12141.2556 10397.2035 14204.9545 6524.3903 16623.3372 12533.1778 7595.0780 8462.0473 10208.5861 7991.6865 7334.6653 5240.5382 10995.2506 12634.2341 12616.6314 10534.5978 11146.3517 13924.1010 13797.4143 7637.3576 221.2608 6214.5438 7931.1108 7160.5771 7101.1794 16356.5335 10421.9664 24961.5579 17747.4858 5839.1146 18959.8198 9214.1878 23133.6597 13268.9007 13936.0418 7732.2597 9143.9895 7909.4368 11510.2443 14282.0645 14109.0728 12820.0873 6325.4260 14270.5535 15783.4135 15728.4162 18313.8676 15971.2923 6852.1133 11075.2368 21642.7522 13950.6378 10159.5170 10587.0969 6425.2887 11281.0017 12883.0052 14196.0029 10421.7924 10396.9940 6564.0243 17407.6209 11009.5594 17809.2079 14375.7076 7505.2503 27888.5712 12983.5516 16532.9497 12921.5125 7865.6688 8594.7523 10523.1544 10682.0619 14052.3914 8881.9829 12558.2073 6552.0353 10695.9770 11583.9193 10274.8577 12180.4304 11227.5087 8395.4834 10201.7773 18988.0462 7696.4674 9314.7005 6802.5879 10995.0964 14487.9672 9610.7105 13329.4173 plasmenyl-PE (38:4) 9590.0312 9055.5820 10664.5850 9233.2949 9976.0186 11096.5527 5357.0375 9677.7233 18137.6935 10426.4402 8569.4731 8160.3388 14049.5327 11820.5181 7360.7208 7121.6544 7483.3372 5890.7905 12107.2684 10210.4307 8689.0302 13130.2087 6276.5005 8916.2231 5838.4682 5735.8915 7927.6476 9235.1159 6471.0946 6350.5435 9833.2580 13357.0480 6538.8378 10457.7262 5283.4243 9138.0729 8006.3935 5449.4780 7055.3898 7621.6885 6249.6693 8524.5033 5671.9563 6959.5234 10977.3051 7024.0041 10810.9821 7908.5956 17263.3106 11437.1595 4852.5534 876.0213 4378.4254 5550.4252 5388.3071 4857.2388 12891.4608 11212.0886 16929.1728 10761.0554 6463.2932 14538.0685 10782.4804 16196.8666 8147.5335 9796.3642 9214.3118 12061.6614 7243.0949 9198.4431 15990.0864 17131.3731 13747.4040 6245.7806 11156.4768 10465.5933 13311.5833 16379.6143 15297.0473 7432.2788 12191.4975 25582.2527 12177.7313 9201.5232 9391.6693 7261.3259 9602.8463 11887.8656 12923.7723 8501.6631 12149.0474 5582.3012 14517.6451 10590.2573 13651.9722 8358.8174 7011.7270 24837.8677 9416.7379 10981.6393 15140.9499 7095.7542 7848.5401 7747.0524 7346.6109 11424.0589 6834.6025 14795.6926 5984.4383 8598.5227 8542.4133 9101.2887 11760.1329 8135.8296 5991.4755 11175.1198 16371.4577 6685.2827 8015.9561 9759.1436 11552.2957 12746.4675 7700.6198 11812.2222 plasmenyl-PE (38:5) 6161.4434 5680.6221 7477.6113 5984.1621 7068.2856 5639.1660 3864.3853 3584.2884 6392.7055 3509.9514 5017.5398 4311.8214 5064.0352 4480.0332 3686.8327 3395.1456 7824.1316 3354.5060 4589.9960 2871.8573 4545.8064 9042.1829 2393.9272 5502.5066 2753.8785 2720.4133 3563.0779 4608.2886 4014.9623 4170.4773 5775.0778 5162.4642 3106.1721 4057.2958 2949.4865 6518.5744 6411.4629 3309.9381 2899.7635 3707.6342 3536.0688 3170.2589 2228.2016 4849.4705 3406.8404 4886.5417 4216.2285 5698.0902 7565.5855 6282.5783 2602.4903 253.8662 2674.7198 3927.1765 2995.3152 2535.4109 10446.4908 5118.9910 9304.3761 6606.3841 2575.5716 9931.7586 4762.6911 8865.7409 5358.3959 5438.3053 2894.7134 4068.2808 2326.3262 3624.3846 7648.2341 6489.1162 4641.6224 2838.8145 5008.6884 7275.0878 7031.4840 6293.4935 4756.7442 2876.9307 5093.1097 7704.3471 5483.0027 3676.9339 3692.3023 2624.6948 4768.1611 5563.7282 5869.5994 3766.3644 4950.1308 2458.7206 6456.8400 5109.8038 6778.7272 7194.6220 3045.7353 10634.7709 5636.2789 6309.2901 7175.7064 2778.3570 3379.8156 5416.5366 4421.6713 6829.1393 3956.7430 5861.0172 3100.5473 5010.4355 6486.6594 4400.5153 5625.1173 5367.9175 4317.2503 5710.5555 6332.3189 2780.1362 4717.3378 2833.2820 5823.3952 4908.3213 3280.2045 6308.2026 SM (d34:1) 12765.7295 14079.0244 14442.6084 11688.6191 13573.5107 16410.4629 11177.0074 10762.2203 36824.2082 14725.9557 11254.1100 10638.2523 23647.8894 12138.9706 9465.5025 6526.0147 13592.7734 8267.2894 15871.3007 13338.8718 11210.3373 22457.4890 5588.5479 12757.5022 6972.5267 9683.7536 10969.3581 15883.6163 9110.4965 18158.9447 17597.3927 14556.0212 11497.9417 10948.5856 11550.3592 20109.3498 15263.0897 8974.4644 13929.8052 12635.1533 12352.0787 12297.2917 9942.5446 15518.5849 13056.7568 11547.5482 20434.9742 18111.0922 25036.1070 18797.4851 6635.9111 243.0988 6586.1128 8848.0623 8732.4576 7088.6262 16400.9993 19749.4369 24075.9651 19140.9772 7281.6286 17785.2820 18726.5903 21241.7193 14669.3002 13559.7036 15867.2010 20532.9690 8299.1280 14520.9577 17295.6447 36156.3408 12567.3078 6403.6392 12387.1799 23130.5538 19094.5932 36913.0276 16976.0630 8928.6883 18156.2113 28817.7386 21303.9917 12775.2413 16934.0765 12035.5932 14574.7360 15294.8994 16571.8347 30301.1844 13740.0645 10613.7998 18202.1981 14450.6426 24858.5069 17853.3770 9911.8688 39850.3122 17327.6473 17730.9424 29556.4277 15829.8427 11679.1106 17947.3821 8242.5400 25126.3278 15572.7719 22036.5401 31123.8146 12389.1066 12181.0631 13690.2948 14960.8449 14599.0536 10143.2467 11914.0946 19218.5918 11818.1064 13133.9606 15671.5850 10926.7668 14937.6112 12987.6713 18504.9783 SM (d36:1) 2239.7510 1951.6757 2737.2649 2490.1096 2338.2991 2932.7275 1583.8462 1369.4633 3252.2004 2059.4571 1469.1943 1231.7361 2670.3713 1548.7392 1568.1982 1034.7403 1786.7211 1006.8949 2826.0858 2078.8154 1443.9523 2978.1748 1020.4686 1410.5397 956.0757 1126.5627 2285.2384 2376.4972 1013.0231 2473.6057 2012.0407 3272.8781 1801.8363 1820.5413 1348.8226 2437.9358 1526.5333 937.1700 1836.9246 2010.8502 1928.3897 1587.3423 1380.5533 1711.8069 2340.0222 1289.7781 2376.3077 2317.8635 2943.3810 3386.4925 1464.2177 172.0085 899.0955 1052.8191 1763.7210 1373.2104 2874.4428 2474.8971 2550.0313 2418.6687 1017.1645 2972.3118 2417.9810 2371.1247 1903.2092 2884.4367 2176.9341 2064.8344 1261.7324 1969.2616 2464.4076 3420.1134 1728.3008 962.5833 2075.0754 2105.3933 2719.1552 6040.3688 3379.2319 1236.0003 3348.6621 4041.7745 2962.8062 1617.4616 2110.3699 1917.7278 2564.5579 1858.7085 2020.5078 4318.4891 2023.8443 1874.3320 2418.5748 2078.0628 4111.7363 2271.8382 1281.3544 9074.7212 3061.5928 2715.0616 4514.2129 1951.8315 1801.9526 1582.2709 1405.6993 3425.0548 2295.1769 2776.7331 8357.8986 1670.4434 2101.7586 1881.2171 1905.1572 2524.7693 1462.4983 1456.9317 3628.0571 2093.7911 2318.8002 2198.8564 1372.3491 2686.2362 2015.9623 2673.7071 SM (d38:1) 2029.3392 1918.1753 2116.8242 1960.6929 2064.6682 2372.0813 1119.8450 1192.6822 2229.8013 1752.7186 1078.6272 1496.5056 1779.7160 1219.2660 1499.8327 913.5893 1367.6661 1030.2416 1708.4821 1460.7316 1662.4181 2056.5048 850.1158 1316.0931 906.1963 1431.2506 1861.6988 1457.8651 958.1524 1530.1899 2642.9366 2098.2873 1675.1542 1234.7103 1218.9596 2032.0655 1795.1486 1028.2343 1435.8542 1545.1045 1397.9551 1302.7957 1213.0932 1491.4917 1715.6370 870.7218 2438.3931 1943.9808 2537.7974 2647.1989 1301.3172 183.4135 962.2585 825.9375 1073.5485 1173.0793 2026.8557 2531.3017 2267.5860 2178.6019 814.1874 2346.2265 2127.2823 2152.5007 1876.4148 2112.6526 1477.4031 1738.1195 1278.9354 1898.4585 2448.0710 2382.0354 1449.8492 965.9102 1873.4888 2198.0005 2137.3299 4152.7990 2763.0699 1205.7803 2050.6385 4023.7838 2417.2109 1546.4764 2110.5572 2069.5345 1823.9601 1513.6580 2207.8527 3762.6197 1997.7572 1483.1453 2000.2946 2114.0808 3025.1826 1954.5927 1210.1847 4489.2247 2605.9767 2615.1566 2827.5564 2321.4381 1463.4505 1610.1862 1190.9145 2301.1909 2248.8395 2109.4664 3804.4257 2122.9492 2295.6212 1685.5475 1795.3052 2157.5548 1709.1688 1735.7539 3041.5573 1521.5257 1751.2953 1557.5670 1555.5309 2305.5543 1595.8247 2551.5747 SM (d40:1) 3249.6135 3600.2012 3751.6978 3110.1333 3447.6970 3224.2166 1657.3363 2761.8339 6954.1915 3276.8477 2608.3371 2393.9773 4764.1791 2574.1965 2685.5719 2097.6647 2340.7136 1979.7841 2932.4698 2656.3017 4099.2280 3896.7800 1566.3473 2103.5934 1395.0702 2969.7018 3164.2680 3009.8175 2021.4603 2570.8376 4642.5867 4252.6488 2446.2089 2469.9401 2134.9932 3013.9286 2449.9952 2078.7349 2824.2713 2349.9727 2788.7928 3089.1366 2905.4186 3116.0866 3216.9395 1721.0785 4811.8368 3566.7225 4213.0291 4082.7563 1976.3666 311.2882 1492.8100 1725.0175 1634.9417 2281.2230 3460.7398 4931.0536 5481.4172 3582.1599 1630.5657 4022.7247 4329.4444 5044.6263 3311.0506 2834.9501 2901.4210 4377.7926 2306.7706 3289.5176 3849.2618 5340.3633 3064.1432 1769.1187 4114.4618 3140.8653 3306.1365 6570.0577 4335.4528 2689.6031 2846.5965 8831.6414 3977.9002 3180.6465 3860.2221 2959.2637 3275.9645 3453.8022 3788.0757 7522.3403 3938.9751 2396.4673 3604.2643 3569.4449 4771.0463 2544.9444 2582.9771 6630.4311 3141.5712 4666.6019 4547.6808 4077.1562 2646.2070 3216.5937 1993.9990 4164.9839 3683.6035 4078.6702 6387.3409 3345.1723 3113.8929 2292.4979 3093.7092 2865.1838 2698.4237 3054.1958 5595.8727 3454.9414 2873.0740 2979.8701 2955.3791 4009.1199 3341.8192 4265.0350 SM (d42:1) 1412.4718 1376.5938 1560.6035 1451.0234 1403.1040 1848.5712 796.7859 1200.8539 4122.8305 1994.2813 1665.3341 1227.0721 2761.1123 1726.4036 1144.7966 822.7995 1967.2927 900.2936 1400.9418 1334.5896 1815.0575 1631.4489 911.9108 1134.6757 826.5015 1420.6290 1243.3014 1931.7976 1402.6113 1516.3063 2352.6227 2931.0900 980.1308 1286.4176 1386.1335 1493.3197 1335.1674 1418.1936 1920.1689 1219.6056 1776.7524 1630.9992 1359.3162 2151.6405 1726.0518 1111.0662 2697.7522 2301.3113 3335.1505 2864.9321 1147.1178 252.2714 839.3289 1038.4055 859.6123 1224.3915 2096.8013 2569.7146 3147.9472 2181.5973 1113.2800 2302.5006 2324.3063 2973.6460 1701.5940 1716.3431 2050.7252 2627.1003 1345.6101 1615.3632 2669.3480 3617.4108 1722.5437 1172.7945 2898.4929 1909.5545 1796.8117 4793.9356 1977.1114 1552.0632 2052.5209 3967.3180 2132.7296 1317.8117 1821.4204 1615.6743 2681.8408 1786.2393 2642.1547 4728.6102 1902.8567 1203.8622 2404.4721 1684.5543 3390.5208 1367.3057 2495.4767 5522.8711 1716.1900 2349.6766 3485.2125 2588.7134 1566.0015 2072.8245 1133.1475 2696.0176 2088.8423 2546.3837 5836.1019 1522.2382 1523.1658 1528.4065 2131.8329 1550.8949 940.1259 1589.6054 3446.8081 2187.9019 2655.2124 2102.8674 1507.8462 2886.3773 2329.6666 3632.6462 SM (d42:2) 2238.0618 2331.0398 2747.3357 2213.0923 2353.1316 4240.5693 2048.5933 2258.8189 6390.8132 2969.4021 2557.5092 1834.2971 4422.0351 2854.1640 1536.3713 1250.4335 3846.2039 1909.6136 2725.7789 2140.1253 1608.7890 4292.4486 969.6593 2334.1881 1526.5688 1706.2956 2122.3097 3073.3499 2171.8434 3019.8714 4169.8325 4580.9147 1723.5340 2359.3350 1898.4233 3650.3046 3274.5638 2150.0710 3292.0126 2896.2389 2768.6292 3139.3192 1658.8683 3042.3861 2533.1287 2745.9314 4397.2599 4963.0537 5403.1218 5440.0620 1763.9630 223.1570 1693.5247 1828.4037 2014.1287 1516.2867 3854.1671 4559.8430 4216.9287 4247.3042 1455.7060 4367.8315 4202.1716 3498.7255 3040.2264 3975.7618 4319.9549 4345.2107 1750.8938 3371.0551 4801.7996 6232.2322 2283.6184 1279.7161 4351.0793 5298.9173 5590.8073 10712.6747 3488.5973 1752.9677 5763.6751 4736.8599 6133.3099 2203.2207 2716.8029 2336.4317 3996.7400 2971.5218 4280.2223 9952.7722 3637.4946 1919.7461 4452.2268 3510.8151 6737.4854 4309.4568 2885.0882 12787.7999 4749.0527 3519.7712 9216.8538 3175.2827 2677.8662 4172.6128 2449.8898 7459.2317 4219.7778 4042.4553 14274.2362 2673.5018 2574.7976 3914.1722 3021.5015 4254.8282 2151.6167 2666.3225 6502.9760 3317.3616 5029.9882 4121.2002 2362.6440 5116.2334 3568.5576 6964.2106 CSH_negESI #108 10886 12019 12114 11195 12135 19349 3964 6531 9609 7971 10055 14650 7478 10053 6971 3325 8591 6067 6697 9714 9084 8332 3544 10489 3980 8399 5729 8508 2780 7361 9319 6374 7902 7170 5499 9991 8403 4528 10555 9797 7700 3573 5562 6831 7954 6313 12492 8422 4959 3996 7084 314 4538 2633 6306 7634 8621 13494 8381 16213 4255 9733 12790 8437 14191 9482 7608 8697 9664 27599 19817 10023 16467 7216 7356 20110 12064 10776 23727 9053 9403 12135 19399 15281 16295 10832 13890 6830 13794 5548 9526 15377 14064 9823 18377 11546 9797 12290 12356 24210 4373 10119 12019 15319 6542 7039 11211 7125 5205 16051 5577 7936 6648 9111 13599 20379 12481 8424 12010 7568 22950 10766 9692 17846 CSH_negESI #109 3577 3426 3936 3444 3759 6080 12699 21047 32611 30508 15764 21377 21600 23028 18776 14419 13883 22004 21323 17051 27205 24297 23497 17407 9867 22907 18773 25377 14934 26465 26477 29155 16972 23003 16435 19057 19479 14531 20593 20187 19127 21401 22493 16244 27040 15337 24421 23779 47265 25699 19529 1187 18075 12612 13185 17205 13458 43032 41513 28245 12742 16058 42656 40622 23166 36550 36912 36063 29283 42158 31986 40915 29473 22490 32495 22991 46812 42485 47898 27042 28290 85764 37450 35035 37077 34095 35897 43698 44738 38682 41955 25372 43481 28460 46447 24135 34912 38823 30839 47135 32962 43980 35246 39543 17430 26807 34361 42985 38097 37927 22998 30736 38903 24001 26303 29016 43452 44003 27891 32728 31680 42130 45725 38232 246.952m/z_0.479ri 1255 1439 1754 1624 2510 7131 2375 3599 3417 4601 1657 3224 2160 3100 3820 2322 1056 3583 3830 3056 3697 4020 2387 2386 1547 2947 2206 3920 1924 3282 3092 3239 2710 3110 2280 3568 2952 2096 3017 3221 2894 2461 2905 2056 3829 1925 3532 4462 3124 3121 3001 245 2748 1269 2018 2661 1448 6000 4787 3515 2356 1643 5629 4454 2681 5670 5359 4064 4581 6436 4683 2987 5380 4381 3828 2492 6679 4901 9160 3788 3486 9428 5632 5226 5627 3934 6570 3954 5553 4642 5366 4876 5678 4346 8927 4722 4221 5214 5349 9447 3317 5105 6003 5972 2191 3033 5983 3628 4531 6433 2912 4052 4169 3957 4677 3650 6368 4516 3210 4398 3733 5346 5613 4741 388.274m/z_0.648ri 108 148 159 195 185 4035 6736 7767 9537 11660 7128 7735 5154 8521 9106 6204 6346 12341 11282 7095 9566 11758 8941 8085 5185 7813 7448 9486 6971 9408 10346 9777 7996 10405 6378 9838 7997 4535 8845 12306 7106 6753 6950 5159 10718 6940 8528 10963 18326 10467 6688 402 8742 5704 7673 6585 5639 14217 16662 11092 5114 6760 14195 16030 9904 19082 14951 12431 12098 20729 13645 14038 12629 9221 14713 11730 22383 22222 18489 8690 14991 33337 19059 16033 13458 11835 15360 19608 18379 14608 14587 12675 21142 12315 20621 14321 12858 20665 20656 18525 15171 12745 11913 16519 10363 12005 15320 12658 17494 14859 10220 14556 17893 15323 11552 10523 22935 18213 12853 13518 11595 20456 19114 18558 649.125m/z_0.722ri 2088 1768 1760 1940 1853 6402 3592 314 11656 920 1301 5339 9134 8512 849 152 1655 1974 1077 4693 970 5783 196 1246 1798 2774 1613 8743 2706 3284 11289 30535 1141 2364 3015 263 5120 11919 10217 2459 11818 1866 5394 2409 557 5834 2674 264 10549 38095 566 189 1497 2540 2236 542 1158 34112 2325 8165 291 1289 25859 1184 5329 4442 1077 3396 558 2485 19705 6682 4073 2445 216 3016 8562 1426 6166 6790 15099 326 4969 3811 5732 2926 16385 5123 928 27281 17916 3871 10487 8444 495 6883 4463 34294 6005 8058 7843 19129 5750 11786 2370 11843 237 13217 44994 1162 1516 7564 4984 6719 832 4120 27581 1871 10674 673 2938 18116 1624 11852 476.102m/z_0.773ri 7533 6896 6226 10021 10313 1263 1183 1063 969 1097 1177 1128 1236 1037 999 965 1045 1030 1269 817 1139 1159 786 1119 779 1219 1102 902 911 1212 1187 979 1023 1018 845 942 1137 1224 1118 1155 948 920 905 993 841 756 1168 895 1094 853 870 926 712 999 923 1003 823 1204 1183 1040 1064 1132 1118 872 728 1909 933 9052 1418 24652 4197 5211 6100 900 824 6565 8573 6239 8258 1071 2700 14763 3104 12858 9017 8960 1108 3302 899 986 4022 3453 15862 2939 1069 3469 945 6801 5569 12029 14978 5289 2552 1070 5038 4298 1828 1393 16553 7349 1185 5615 3510 4493 5710 13859 1160 1572 2801 1027 13204 935 1776 3608 339.214m/z_2.614ri 933 988 932 1066 1026 2757 110 186 183 279 104 143 124 121 110 143 163 137 215 128 252 150 72 202 100 136 598 207 96 127 131 139 220 161 184 167 177 215 264 230 166 103 147 113 121 69 150 142 228 162 96 139 172 133 135 243 148 140 138 160 182 132 100 94 111 3734 15955 15050 479 4356 4077 3993 332 1978 6957 18809 2436 2816 4551 9909 3323 35239 244 1193 94058 1863 2038 22511 3618 2085 10343 853 48313 31592 28205 133992 34513 8509 622 16224 1062 4274 637 195 32590 191 34246 2621 38351 1459 188 2457 22916 473 1017 1037 23441 2953 1893 18316 690 16823 3013 2143 653.405m/z_2.632ri 1003 961 1007 964 1023 5506 1020 1960 2749 1170 916 2242 2799 1569 652 1047 660 5130 2751 260 856 1497 349 442 2003 2103 420 1111 1239 539 1218 2455 706 910 532 630 570 1045 13603 1437 1633 2162 1114 602 1041 1149 755 1212 2422 1402 627 120 3814 1597 1149 514 754 1497 1604 881 1682 706 1468 1501 704 6723 2985 3263 1112 2126 3954 2383 2553 1465 4112 672 3210 4361 760 2682 3264 1413 702 2182 2470 752 2482 1894 1931 2471 2737 2418 3875 2777 4310 2373 8348 2762 6239 1987 2790 1967 1036 2048 2005 822 2683 3769 2532 788 438 2212 2094 5119 794 987 5942 2799 2655 3389 1012 3769 2722 3147 473.303m/z_2.995ri 11599 29702 10868 9675 10872 17317 25502 28112 28274 39441 25741 43242 41954 34593 22106 27882 26547 38116 41793 28094 38734 44319 17151 46002 29938 37432 32197 35884 27978 29035 34442 36038 30636 25990 23613 23627 38025 22371 54934 34893 39424 38937 30692 31497 35578 26495 42689 37056 40355 30365 28289 4183 33251 27435 26359 33993 26597 45858 44127 36652 22894 27237 38572 35952 26065 45970 28145 22129 39054 22302 49612 35906 32052 26465 48118 36061 36695 43668 45939 51037 46542 31314 53331 31030 34225 31947 50721 32029 37545 38046 41369 45947 38014 43302 48741 50278 64203 39685 43695 39988 27359 38209 37791 45164 29738 34254 46446 49536 30272 42051 26928 27864 37439 41044 37851 32723 62853 44030 35615 33360 27864 43863 43028 44945 635.41m/z_3.728ri 6060 19278 7087 6934 7577 10869 21726 17046 14282 20099 9323 13025 20410 13173 7393 9642 11937 21801 16514 4951 17676 30228 5730 10086 4714 10555 27743 7768 7682 6067 21050 5652 4903 12387 14274 12394 7258 14537 12939 12478 10829 10711 95013 13348 8353 24401 7008 43093 13525 9490 39908 3007 18869 7284 8115 36039 16107 21411 21393 7435 12832 16976 20162 18612 5759 14451 7262 38270 29033 4368 8660 8611 5965 5155 10057 22663 18641 11793 10547 17132 14474 10612 4881 3964 5743 4401 4983 10725 3708 2450 4028 10422 31315 10036 21106 9379 6980 24717 21559 17949 13502 47892 8328 17625 7820 8174 16878 18290 10785 43257 10868 13458 10274 15782 31932 16545 15863 35123 20039 7324 15069 10902 34892 28515 985.605m/z_3.798ri 1311 1217 1392 1080 1503 5767 505 3782 2669 3800 4653 3846 9757 5467 4458 9782 5706 2515 7840 6825 19772 5881 3475 2205 860 5038 8032 1013 994 3543 4963 1325 1623 11247 4429 11244 10479 7553 3109 3522 4330 3023 3465 2921 2109 3180 4866 2838 5908 3841 5390 122 2207 858 2738 5507 7047 4145 3372 1269 2456 7906 3044 3555 1383 1273 595 1956 3228 5058 2018 2871 2316 4244 1348 5622 3381 4747 6187 1256 1484 4146 1910 2084 1338 3289 1113 1270 1074 900 999 2199 1607 2523 3078 3425 2443 2729 960 3381 1896 1249 4304 166 2369 6267 2206 3074 1757 6370 8186 1841 1183 949 4995 2929 1394 2686 340 700 2929 1239 2436 321 911.567m/z_3.901ri 379 368 367 359 337 10494 1013 1353 3524 1102 818 4970 917 810 921 763 2925 879 898 755 1161 3934 619 786 656 864 887 817 972 828 1229 872 861 748 4626 1035 1063 1093 923 4171 681 690 570 3975 1059 1995 5322 4446 639 842 606 616 623 491 1449 614 621 5540 2493 3579 682 852 6678 3951 5151 4022 1300 1681 1220 8509 6313 3276 1931 703 1958 9826 3129 2029 5711 739 1954 13662 2443 2972 1146 2000 1061 3161 917 704 691 890 2392 1731 2484 3578 760 4292 6750 8234 1190 855 1007 3274 1389 1726 4327 964 1401 2788 1078 1569 1893 4137 1954 4329 1902 1772 2827 1025 7235 2432 3463 4592 913.583m/z_3.916ri 11980 11573 10109 9572 10915 98502 4495 4333 5230 6187 4027 4225 2512 5849 4999 3059 5449 4512 6598 5301 6124 8275 4196 5408 2835 3605 3736 7390 4033 5301 5918 3303 3784 6545 5117 12164 5685 2562 6035 5662 5595 3106 4051 6321 5653 5423 4855 7361 10144 7584 3635 442 3518 3002 3516 3513 3916 6665 11125 6761 3250 4522 6988 11020 5685 8011 8895 5725 3442 7820 6596 5235 8696 4008 5033 8512 7524 11171 10722 4146 5828 14355 8276 6725 8239 6717 8798 7249 8999 6386 6206 4406 11856 8231 11385 8103 4176 11055 8897 10976 6366 6793 7417 7920 4122 7024 6746 7518 10317 6953 5255 5828 8626 6925 5483 6384 8598 6532 4564 8227 6424 7693 6882 6866 432.36m/z_3.998ri 359 581 380 652 398 7511 1388 1659 2537 2250 6494 4348 3757 3512 1541 1289 8160 1651 2297 3205 3077 4587 1350 4513 1735 2180 2687 3062 1027 2270 4574 1697 2258 2979 2231 3729 3561 1589 4163 4465 1858 895 1938 2620 2348 4619 2946 1999 1066 841 1660 142 1371 877 2787 1920 5258 3717 3496 6793 1004 5198 3497 3308 5321 2291 1468 2082 1829 10560 5694 5442 4392 1361 1498 12882 3072 2886 6307 1859 2771 3484 5375 4795 4681 2965 3734 1413 3200 1874 1942 2608 4410 2873 3053 3393 2155 3288 3533 4844 905 2357 3024 4488 2071 1578 1887 1816 967 3871 2174 2120 1628 2922 2390 7171 3494 2064 3512 1592 7838 2706 2407 4607 564.392m/z_4.061ri 2332 3277 2270 2403 2391 1746 1809 1815 2101 1831 1155 1342 968 1903 1697 1077 1245 1833 2181 1700 2040 3879 1121 1609 1406 1856 1390 1843 1365 1716 1829 1252 1998 2011 1551 4392 2279 1078 2129 1762 1578 1306 1462 1809 1835 1814 1862 2390 3145 2042 1375 407 1295 1030 1311 969 1248 2674 3849 2202 1157 1310 2537 3927 1698 3042 3000 2083 1345 2420 2042 1786 2605 1596 1906 2010 2826 3230 3677 1444 2326 4090 2566 2291 2683 1846 2138 2197 2745 1781 2216 2289 3862 2272 4358 3051 1756 4519 3534 3275 2301 2176 2006 2163 1451 2890 2485 2515 3139 2921 1370 2298 2299 2277 1795 1678 2988 1938 1727 2963 1941 2370 1840 2708 446.376m/z_4.304ri 24307 30052 25018 24829 27706 56329 895 5514 10764 5310 2441 5090 1961 6467 2023 567 1559 966 2693 3137 6737 3160 1181 5463 1030 2087 2835 1944 2273 1895 2553 2881 865 1709 5309 2230 3195 664 2584 965 4768 3197 5164 2322 5235 976 6581 1962 3201 2562 2211 194 853 1899 815 2639 1844 4882 3207 2721 4508 1753 4341 3285 2443 1150 2700 5822 2124 3789 4643 1715 8417 1505 1220 1748 1613 1698 3337 4014 2756 1577 7092 1964 4017 2053 2717 3743 3038 956 3367 769 4458 4422 1795 2547 787 4112 1541 6807 1652 6116 2338 1767 1235 2779 1534 2211 1416 3634 2741 1392 4409 1132 2744 4749 3933 2169 1807 2902 4748 2620 2044 2049 797.515m/z_4.514ri 3297 9100 3815 2980 2988 4529 12814 10913 11594 13316 10181 12411 5966 13631 11505 11108 10141 16471 19945 11680 13603 26771 13711 17594 11311 7196 10382 11454 11915 9778 11905 7342 14009 23482 9728 23792 14704 4533 17054 17828 8271 5985 7704 5895 13434 13759 9377 15637 12707 11167 6346 548 12522 9989 12660 7144 8717 11199 26932 16425 7578 10110 10556 24213 13397 18844 15171 11352 11004 25067 16354 13503 20437 8088 14737 24230 15383 20843 23342 9599 9825 47402 17312 22630 16183 10986 13672 23069 18108 9437 16408 17995 33334 15054 19352 24280 9544 22849 31142 20532 9395 14065 10631 21459 10171 9691 16426 12742 10325 19284 17442 10668 22224 23815 13253 14680 25514 13762 9279 14320 13865 20207 14701 12823 1117.697m/z_4.585ri 1863 1806 1813 1486 1638 12445 12301 14689 23569 15613 13547 19374 10698 17262 12208 10699 14625 15900 22708 14470 17994 27461 15898 14928 10463 13475 12114 16826 10133 14897 23237 14318 16722 22148 14169 21007 16513 8638 17102 20495 11863 13812 13183 13220 15133 18851 16660 19495 41988 17803 9976 1709 12032 7984 14038 8852 12856 27348 35932 20361 10054 14739 25530 33107 17859 25640 30495 27575 12411 31264 27389 30167 27075 10012 17912 27479 27767 43603 33110 14170 26349 55505 26708 26142 25105 19569 21637 23284 33213 33406 21322 21281 35366 24662 25548 27168 16937 39951 30634 30812 30194 23194 19723 24802 14612 29712 21913 22498 31587 22455 16763 18975 22958 25269 15842 22838 28737 24386 17300 28719 23786 22292 27943 24739 505.342m/z_4.875ri 1582 1957 1424 1067 1625 3318 5626 4427 3002 7740 18264 11391 3915 10350 5429 3436 20482 4900 11251 12942 6157 13476 4904 13854 6943 6049 12484 8662 1853 9811 9838 4187 7900 9035 6547 10008 7211 2987 9136 22463 7255 1885 4298 4162 7688 8806 7590 5078 2842 1936 8365 327 3830 1540 14956 7851 20911 10021 8101 24222 2650 22595 10019 7077 21212 11866 4342 3732 6633 40412 20968 10648 17774 3403 7465 34857 7627 10613 31008 4614 16805 14986 34354 20660 15855 18369 10318 4159 7509 4953 5586 13308 15388 8887 12713 11118 5041 15647 17377 17834 2533 6303 6750 10038 10063 5056 6114 4540 3192 11582 7698 5203 3795 14891 8107 23708 11961 8168 13202 4089 24388 10485 9370 20671 597.484m/z_5.085ri 4920 4287 4393 4625 4600 4398 3463 3247 1897 3182 2694 3500 1205 3418 2656 2536 2457 3942 4442 2785 3451 6109 4129 4346 3050 2108 2942 2934 3104 2433 2622 1756 3309 6095 2389 5649 3426 1371 3979 4368 2120 1376 1567 1213 3192 3070 2021 3319 2340 1967 2162 234 3607 2554 2794 1732 1935 1998 5580 4042 2152 2067 2097 4980 2821 3775 3177 1838 2654 5218 3572 2012 4364 2071 2914 5424 3791 3151 4583 2189 2061 7123 3063 4606 3037 2957 2858 4273 4331 1667 3036 4242 6550 3119 4159 5089 2345 3147 6749 3681 1604 2499 2759 3867 2693 1684 3380 2024 2617 4288 4088 2404 4406 4848 3101 3189 5157 3243 2049 3135 3232 3766 3224 2795 870.548m/z_5.102ri 1309 1470 1832 1421 1410 2340 4920 4906 4189 6881 4328 4963 2788 5037 4858 3826 4231 6347 10785 5687 5264 7425 6814 4321 3502 5379 5452 5779 3014 5323 5193 5260 5916 7665 4404 7820 4856 2006 5046 10414 4720 3559 3600 3090 6210 3777 4963 5693 10678 7140 5233 869 5269 2435 6768 5330 5640 7746 8573 6667 3047 6193 7161 7994 5791 14761 8587 5806 5855 12306 9874 7022 9913 4702 9279 8215 11945 14337 17683 4698 9969 24306 10587 10814 9726 8983 8912 7295 10189 10391 7508 7842 15656 7352 13720 10801 5971 17198 15003 13963 8266 6610 6367 5956 5744 6395 8870 7078 17136 8523 6836 7959 6950 11592 6051 6124 15896 11244 7685 7830 6618 12527 12210 10732 558.465m/z_5.323ri 1611 1762 1742 1350 1784 3404 2042 1943 1154 2930 4962 3641 1620 3239 2535 1433 5462 2333 4412 4000 2668 3696 2261 3441 2657 2372 4554 2900 976 3528 3612 1725 3231 3435 2094 3519 2400 1327 3333 6733 2540 1360 1362 1641 2935 2233 2516 1956 2411 1468 2757 211 1758 928 4525 2847 5450 2674 3420 6075 1240 6308 2380 2670 4684 4169 2328 1667 2295 9310 5392 2710 5531 1897 2998 8188 3688 3916 8633 1746 5226 6310 7052 6143 4649 3443 3347 1902 2817 2579 2132 4313 5093 2900 3512 4341 2101 5348 5176 6298 1757 2106 2837 3081 3052 2118 2677 2098 3285 3561 2699 2200 1899 4425 3081 5828 3978 3148 3741 2206 5276 3273 3295 4920 1171.744m/z_5.426ri 1973 1985 1188 1310 1349 83446 11509 10797 9401 20915 44720 57567 14583 20734 19119 8460 48979 13651 17011 28682 27815 33249 12840 27325 15722 21933 25131 20436 6516 26471 41180 11643 28047 15410 16613 26573 24646 8106 26421 44161 18547 6669 11987 10087 21073 23611 38565 20661 8297 6047 20978 367 10982 5192 28696 21235 51304 46238 25243 80108 7138 56086 44803 21949 67760 27968 13205 13149 25738 104227 92740 34918 43900 15290 24537 98740 30360 38115 84559 27060 36496 38553 68793 56211 57868 49200 40294 14383 42036 16426 18160 45956 34617 26472 48200 47177 18584 39953 50814 68229 7918 19856 19120 38869 26291 18389 26472 12953 9348 46069 26479 20769 13525 42566 33576 105800 46566 27725 60582 12732 117435 36352 28824 84871 1169.728m/z_5.431ri 194 240 161 225 283 8756 3768 3347 1503 5492 2713 4640 1212 2886 4401 3918 2382 7203 5776 3696 4161 5464 4515 3395 3949 2422 4783 3170 3541 3802 3642 2427 6086 5061 2463 5837 3975 1366 4268 6681 2506 1466 2105 1248 5252 2533 2775 4978 4280 3310 4253 591 5983 3257 4626 3997 3465 3963 6009 5202 2418 3403 3574 4885 4788 10577 5301 1841 6987 10587 6622 2486 7101 5434 9495 6521 8494 9144 13307 4101 2927 22050 5916 11091 6573 4458 6565 8749 7055 4034 7186 10460 14239 4881 12104 11667 3803 8139 19650 9503 3125 4364 2998 7615 4681 2659 8392 3785 4001 9566 8084 5958 8615 14548 8314 6087 18279 5759 5041 4615 5910 14271 6655 7469 1173.76m/z_5.449ri 74593 77936 61577 54474 62348 504769 932 1303 1191 1478 2714 3180 1160 1457 1713 998 2090 1225 1497 1658 1829 1843 952 1649 973 1931 1929 1675 834 2286 2630 1146 1996 1079 1162 1834 1793 1140 1928 2403 1545 887 1051 980 1433 1334 2610 1419 1121 707 1679 633 1219 782 1473 1664 2229 2488 1670 4251 824 2533 2708 1215 2739 2217 1309 1387 2076 5774 4663 2080 2832 1420 1493 4583 2367 2026 4624 1787 2069 2306 3637 2903 4012 2865 3059 2027 3380 1073 1333 3047 2131 1806 3243 3027 2215 2591 3473 5202 1011 1342 1882 2840 1869 1903 2295 1457 1082 3037 1477 1610 1530 2295 2466 4283 2100 1653 2670 1286 4977 2374 1719 4171 872.563m/z_5.6ri 1711 1702 2181 1604 1873 2266 2703 4197 3237 3298 2826 4147 3834 3924 3148 2987 3194 3458 3865 3111 3425 4291 2487 3754 2786 3767 3618 3608 3149 3395 4461 3563 3276 3634 3982 3326 3817 2315 3687 4334 3111 3535 2896 2614 3336 3384 3531 3356 2819 3048 2716 179 3259 2603 2709 2660 2554 4221 4506 3960 2973 2927 3453 3218 2768 3387 2909 3177 3251 3601 3941 3409 4129 2804 3259 3971 4187 3628 3802 2964 3097 3620 4376 3293 3495 3824 3877 3524 3093 2303 3241 4351 4198 3952 4187 3731 4206 3204 3905 4180 3709 3791 3808 4268 3002 3462 4157 3733 3416 4776 3952 3105 3963 3559 3192 3810 4288 3635 2854 3402 3713 3152 3385 4034 582.51m/z_5.675ri 16420 18347 19661 17170 18385 29039 1133 1366 955 2180 1028 2056 692 1222 1602 1235 1130 2227 1561 1532 1818 1896 1606 1093 1035 1389 1508 1867 1024 1594 2166 1536 1774 1590 1244 2051 1650 722 1513 1994 1158 1266 1203 845 1872 1168 1659 2164 2425 2065 1476 140 1769 922 1629 1711 1100 2644 2903 2445 965 1118 2491 2745 1679 3449 2443 1578 2430 3438 2993 1807 2760 1975 2975 2163 4761 3306 4542 1815 1712 7273 2893 3963 3396 2800 3302 3462 3052 3145 2733 2749 4755 2997 5054 3474 2224 3499 4794 4520 2417 2768 2022 2726 1716 1767 3209 2250 2894 3404 2449 3095 2821 3804 2776 2467 5996 3318 2526 2368 2470 4420 3549 3555 556.486m/z_5.699ri 2291 2148 2543 2350 2471 2877 12703 11099 8355 12166 6309 6979 12645 7837 4461 6507 7151 13822 9995 2736 11205 18874 4040 6299 2784 5634 17975 4319 5376 3155 11523 3340 2948 7121 7885 7296 4526 7944 6490 8209 6463 6749 57977 8941 4335 15070 3764 26762 8475 5642 24936 2162 10472 4251 5561 25448 10058 14744 13762 4515 8088 11655 14587 11774 3790 9730 4711 23989 18442 2398 5530 5026 3256 3428 6076 13574 11387 8131 5819 11423 8515 6600 2467 2002 3330 2845 3384 7054 2668 1404 2478 5753 17774 6113 13700 5497 5326 15096 13178 10010 8856 28487 5161 12446 4529 4988 9265 11253 6487 25483 6698 9107 6692 10632 21428 9406 9853 20653 13192 5137 9892 7523 22899 17660 611.537m/z_6.393ri 3201 2963 3720 3276 3022 5271 2440 2505 2980 2751 2185 3608 3115 2727 2774 2711 2614 3119 2737 2750 3421 3981 1764 3108 2274 3000 2423 2664 2186 2067 3704 3299 3604 3151 3677 2825 3959 1771 2675 3344 2058 2801 2875 1760 2979 3015 2440 2641 2233 1843 1970 227 2697 2070 2369 2126 2339 3932 3879 3890 1878 2303 3369 2856 2634 3077 2211 3014 2208 3528 3293 2960 3536 2351 2980 3672 4021 3441 3974 3075 2849 4417 3743 3085 3584 3636 3404 3362 2455 1662 3663 4268 4101 4282 3890 3289 3339 2845 4163 3560 2386 3758 2728 3474 2770 2344 3369 3298 3806 3852 3424 2923 3661 3646 2771 4025 5017 3586 2622 2244 3584 3021 3365 3973 637.509m/z_6.434ri 3284 3634 2998 3099 2978 3277 2816 2808 2214 4359 2467 3574 1315 2643 3226 2244 2500 4815 3459 3119 4242 4155 3051 2314 2205 3060 3811 3496 2037 3351 4419 3035 3683 3593 2779 3982 3285 1241 3306 4042 2753 2477 2509 1771 4104 2254 3346 3574 4705 3219 3240 283 3579 1515 3151 3353 2455 5308 5557 5244 1746 2461 5570 5422 3984 7599 5140 3207 5267 7710 5715 3272 5834 4727 6279 4888 8277 5879 10146 3608 3447 12577 5361 7447 6937 4802 6789 5406 5661 6143 5590 6017 9157 4584 9634 6650 4419 6373 9034 8853 3827 5510 3865 5715 3070 2962 6245 4217 5359 8211 4742 5470 5289 7079 5407 4813 10244 5595 4670 4617 5660 8889 6524 7072 744.554m/z_6.449ri 2096 2519 2713 2272 2955 2154 2692 4037 2578 3448 3650 3759 3682 4546 3264 3460 3586 3396 4851 2737 4083 4368 3276 3810 3034 4721 5044 3709 3808 3006 4503 3583 3931 4362 3540 3441 4278 3217 4152 4356 3363 4238 3154 3289 3548 2910 3761 3284 3353 3357 2902 285 3281 3671 3425 3412 3349 3658 4452 4130 3638 3554 2927 2995 2462 2837 2964 2610 3211 3027 3653 2769 2864 2998 3340 4219 4033 3228 3970 3511 3332 3215 3471 3169 3886 3318 3823 2831 2681 3516 3544 4584 4396 3989 3548 4142 3907 2940 3693 3971 3727 2990 3919 3060 3364 3753 3715 3676 3402 4516 4387 2864 3700 3237 4187 4032 3661 2948 2971 3967 2993 3065 3037 3945 663.521m/z_6.503ri 2841 2790 2842 2474 2718 3638 4565 4432 2945 7440 14706 17715 5038 8593 6925 3334 16501 6184 6755 9615 9358 10301 5457 9853 6149 7581 9649 7229 2570 8848 14205 4837 9671 6374 5075 9329 8706 3569 10183 15157 6506 3254 4165 4283 7008 6998 9953 6814 4192 2995 8165 212 4433 2321 9590 8381 16394 10485 8211 22130 2792 20214 10864 8251 18586 10518 5710 3889 8648 26185 25193 8742 13690 6837 8932 28715 10828 12723 22105 9129 11104 13593 19171 18411 17957 9270 12376 6170 12803 7181 7012 13848 12889 9071 14198 14422 7138 12991 16671 19341 3446 6553 7396 11440 8536 6793 9914 5140 4296 16694 9747 7073 5722 13629 12204 25094 12513 8237 15881 5720 27465 9928 9950 23406 639.521m/z_6.973ri 3356 3575 3726 3908 3831 3295 13299 21489 36433 32761 77487 81594 46584 43076 30658 17125 63915 24019 27165 42635 58240 40594 22798 47814 25632 35755 48797 40510 13421 42958 61758 34089 41348 34984 27394 35762 38657 22052 46261 50852 26980 14216 27303 23013 33102 32823 60120 28236 16699 11026 34711 649 18095 10547 32670 32466 64746 69126 46545 103418 13010 78074 76846 50779 89629 35190 25207 38070 50426 164338 114407 78001 73601 26177 40800 132248 48287 48348 105279 57532 46356 63891 96639 95796 87391 80135 69419 29960 71450 23167 49433 72472 72637 46217 64668 59280 50219 52584 60667 101132 14004 44420 39767 73125 36018 31415 40737 24865 13064 80309 33118 31061 27020 47261 55638 143719 64943 53552 76138 23277 163383 63118 57073 115844 629.492m/z_6.974ri 3422 3749 3100 3491 3812 3802 1020 1604 1335 1656 677 1010 872 1118 2039 876 454 1969 1700 1129 1772 1443 848 1138 755 1268 1005 1851 895 1395 1070 1114 1209 1275 973 2395 1601 836 1517 1173 1440 899 1110 1013 1802 678 1482 1703 1843 1509 1289 237 1581 782 816 1126 585 2082 1841 1500 848 687 1944 1543 1245 2943 2670 1410 2356 3257 1992 1083 2480 2265 1871 1220 3256 2471 4657 1459 1299 3695 2178 2286 2444 1974 3365 2756 2835 1369 2700 2098 3114 1827 6855 2780 2412 2680 3420 4043 1303 2531 2584 2891 1130 1420 2743 2952 2485 3118 1371 2108 2534 2408 2310 1436 3535 2082 1482 2394 1535 3648 1835 2168 683.527m/z_6.983ri 4420 4465 3587 3480 4123 5463 765 1280 2217 1620 2204 2687 2639 1716 1138 1383 1277 1365 1439 1404 1933 1158 1027 1363 868 1855 1548 1719 968 2089 2953 1939 1199 1576 1577 1179 1430 1567 1441 1770 1273 1300 2040 1698 1565 1379 2269 1518 1514 1154 1327 523 956 742 1174 1339 1376 3884 2441 3601 1021 1659 4069 2434 3148 1727 1422 2628 2299 5693 3387 5010 2506 1236 1645 2949 3631 1732 4300 2416 3075 2604 3394 3008 3551 3287 2617 1688 3145 1571 2220 2911 3008 3018 2574 1836 3350 2548 2255 2947 1436 3670 2398 3755 1513 1917 2405 1983 1784 3123 1298 2128 1724 2072 2129 4077 2565 3330 3896 1433 4449 2615 3110 5533 709.545m/z_7.037ri 2156 2157 1848 1689 1816 2111 21900 4206 5544 6661 3937 9026 22967 6624 5190 5168 3859 4912 20284 3055 5383 2885 2535 4606 3057 4048 3408 3123 1953 2409 2137 3522 3087 3880 10485 5789 2087 6382 8216 3172 9794 11202 28909 4958 2816 12108 3045 8441 9694 3966 12931 972 3427 1466 2439 12977 5245 7623 11105 2907 3057 6046 6755 8885 2054 5003 1648 18269 11131 2118 5481 9042 3346 3530 13186 26097 5402 13377 8111 4519 3817 4146 2104 1968 2776 2131 1860 2839 1790 1311 2101 5883 18756 3388 18761 6323 3874 30967 8004 19951 18440 84191 4253 5973 5544 5625 7519 15461 15384 16038 2761 4377 3834 7193 11986 6148 9177 23787 12770 1903 5683 6924 26672 17230 665.541m/z_7.051ri 3430 4174 3846 3642 4123 4204 1263 1144 1429 2539 1494 2801 3101 2439 1074 1317 1578 2319 3648 1051 2262 1875 821 2860 2390 2482 1243 2545 1883 1041 2332 1899 2146 1466 949 1248 1833 2008 4321 1297 2843 3382 2967 1711 2378 2059 3436 2535 3940 1714 1234 926 1998 1658 1259 1187 1435 2632 2850 2557 1097 1449 2177 2283 1543 3843 1468 1809 1456 1328 4557 2240 4009 1981 4314 2754 3219 3796 3054 4752 4272 3971 2487 4636 3405 1843 4532 2268 1891 2269 3636 4333 6417 3315 6096 8295 5355 4377 4258 1852 4257 2910 3245 2587 2980 1916 3765 4662 2787 1692 1581 2288 2639 4203 1552 1770 5945 2928 2661 1636 1251 3643 2911 3700 630.541m/z_7.078ri 2524 2612 2990 2754 2313 4290 5967 10726 21990 12801 27697 32210 18067 19567 12907 5952 19153 10057 9323 20110 16525 14518 5611 21455 7530 15528 13069 15727 5475 17985 19369 10981 15313 11860 9954 17471 16590 9057 21306 18425 13819 6343 10458 13674 13687 12528 25630 15020 9326 5187 13765 784 7272 4376 11850 12771 19796 27568 15412 36373 6516 21864 26297 15302 30073 15927 12578 18577 20635 65276 44191 27781 32468 12180 11762 45421 22555 19793 49713 18244 19097 15434 43828 31302 34694 21831 26553 13854 32430 6789 16117 29073 24870 15046 31769 23508 21236 22352 22729 53331 6646 18255 21478 33598 12395 14870 19551 13865 5651 33317 9426 13994 11666 17703 24633 45690 21513 16122 24915 10551 52706 20233 15535 35041 638.571m/z_7.081ri 5462 5495 5469 4946 5695 7749 2341 3158 2369 4722 2126 3043 2137 2970 4531 3727 1358 5191 4048 3059 4787 4392 4020 3738 2642 2652 3357 2779 2594 3318 2655 3491 4792 6222 2055 4293 2827 1329 4044 4459 2194 1969 2493 1056 4933 1741 2259 4413 2735 2788 3308 765 3605 2155 2537 2942 1643 3397 5568 3551 1942 1998 3368 5113 2937 5952 4279 2510 5785 9707 3549 2674 6405 5079 6988 4023 5569 6041 8799 3647 1815 18231 5459 10112 5714 5492 5086 8409 6034 2299 7630 7010 13956 3779 10080 6631 4650 5864 10852 8862 2332 5360 3025 7782 2842 1968 6049 3990 3489 9313 5787 3597 7388 9270 6298 3620 14346 5750 3086 3635 3808 12100 6015 3839 639.568m/z_7.102ri 11203 11317 11455 9876 11370 10540 1884 1667 3694 2123 1361 3343 3571 1704 1636 1918 2543 2217 2480 1667 3871 4385 1304 2531 1618 2408 1561 2020 1569 1609 2723 3500 2593 2255 3045 1933 3188 1017 1571 2512 1164 2936 3228 1110 2168 3117 2317 2383 2091 1457 1143 272 2232 1326 1753 1508 1866 4694 3117 3013 1178 2216 4364 2189 2370 2898 1972 3734 2116 2979 4038 4473 2637 1881 3299 3408 3703 3193 3316 3929 2595 3704 2928 2674 3133 5594 3888 2407 3089 1843 4413 5150 4115 3880 5581 4715 2954 2547 4890 2671 2932 4057 1960 3788 3032 1395 2615 3391 4715 2976 3033 2954 2324 4969 2113 3650 5911 3423 3798 1920 4481 3755 3974 5028 707.594m/z_7.153ri 8954 9111 10119 8039 9111 14376 2625 3058 3667 3239 2866 4361 4559 2829 3013 2925 3509 3769 3777 2370 4150 4962 3007 3659 2733 3529 3477 3173 2770 2565 4367 4304 2901 3493 3522 3650 4233 1943 2816 4180 2210 5094 3027 2171 2664 3659 3621 3738 3119 2292 2267 246 2986 2368 2692 1937 2236 4478 4276 3936 2357 2874 3648 3025 2802 2968 2737 3555 3073 3205 3723 4055 3713 2846 3929 5030 4961 4117 4577 3751 3858 3862 3731 3292 3944 5384 4874 3198 3640 3226 4173 4913 4889 4751 4503 4891 3742 3600 5652 3726 4324 3942 3472 3985 3435 2976 4026 4379 4528 4471 3760 3811 3498 4208 3364 3900 5539 3914 3860 3144 3514 3145 3784 4791 656.558m/z_7.173ri 6888 7951 7893 6769 7451 6578 8365 11085 6832 14342 5504 8805 3050 10004 15208 9231 2673 14509 13317 10204 10512 15616 7549 11185 6854 6772 7912 11152 7503 10999 7405 8463 12500 14842 4988 17997 11436 4403 14761 10852 9003 4718 6920 3955 14719 5098 6892 16341 9468 8331 9709 420 10902 5525 7216 9403 4619 11158 11925 11212 6794 5105 10116 11296 8433 21442 16455 7443 18175 32963 11404 6385 22173 19040 18514 9485 17327 18900 36154 9623 6615 41875 16383 25739 14909 10490 21281 26091 20422 6300 20395 20549 32735 10291 41096 22655 15183 18633 29309 34159 6467 15926 14688 30514 7112 5438 27307 15148 8850 28648 12958 10828 23880 23659 19841 10409 37280 13343 8181 14644 10846 32234 14768 11787 642.559m/z_7.427ri 1545 1628 1615 1397 1714 2988 11803 20771 39669 26881 73221 62145 44332 44338 21886 11438 56883 18560 18283 36601 36556 28907 20621 45025 17370 33578 37955 35052 12837 36129 46078 32978 25715 27700 20651 29264 32026 23399 41893 32127 26572 13889 21340 33684 27121 26685 49086 23030 16472 10007 27068 437 14942 11052 20278 26990 47392 50305 40079 77012 12602 57254 51757 42062 64498 28124 22852 31555 35436 137554 75240 58275 55827 20877 22332 106541 41275 39072 79138 36880 31392 38608 81912 62235 65633 57436 55843 27371 61108 11671 46480 42052 55654 31106 45328 34701 43002 42739 36357 71325 12815 35632 42742 68292 21412 26583 28047 22424 12145 56575 23426 26468 23815 27040 37698 102609 40077 37071 47882 19510 116306 41410 41449 70135 626.558m/z_7.45ri 1480 1626 1645 1425 1727 1813 6934 7249 10144 10224 31721 20593 14032 18459 6461 3735 34483 9028 9515 13950 8587 17484 5111 21671 7539 10994 11033 11961 4090 14896 20008 8285 8275 12436 7903 14246 16096 8152 17810 22595 10471 2983 4457 13325 9494 15556 18126 9804 4773 4262 8291 279 7348 3708 14164 7999 20304 16255 13927 32663 4690 24163 16042 13140 27612 10854 8114 8848 10370 52622 28233 17176 21877 5481 6763 56427 16636 16452 24270 8035 16887 10957 39067 21591 21168 13914 18889 7965 19049 7184 10007 11555 17776 9925 17458 19022 10951 20004 19876 21998 3561 6527 13778 20789 11686 10579 9756 5845 5204 14777 12878 12165 7334 15826 11971 31876 17317 11147 19411 7029 33173 15142 12085 27246 695.594m/z_7.509ri 4230 4985 5005 3844 4890 6955 30073 20769 11411 38490 19741 16022 6432 21989 18823 17568 14435 42382 40603 21393 13866 51003 19760 40556 20302 10250 20316 18269 18563 22528 18110 16348 21320 45879 11740 41197 31744 8976 32432 41914 17219 7244 8725 6750 35651 20072 13052 31279 22373 20949 16387 764 33376 14560 26794 16816 16581 20372 29464 27239 13626 17752 18537 28603 22975 56070 34335 14115 30327 85506 25895 16423 36140 21545 34871 36063 52501 55458 57554 12893 24006 73894 53438 50314 23014 23693 33092 43960 37148 16421 36220 31663 85104 24945 62995 62686 23174 53840 90570 43189 18394 17140 18755 55712 24311 15480 38985 20281 28909 36499 29611 36060 43216 70304 27760 23999 89791 27680 21678 31919 24559 75244 30221 30184 676.624m/z_7.763ri 13901 14639 14145 12825 14470 11394 21068 28457 24553 42110 20286 21251 12288 30438 34187 27207 18194 34275 33940 23110 28795 39879 37747 31075 18886 18448 29842 24943 27694 30542 26430 27514 32664 43341 17001 37735 29436 14832 32525 36919 22483 17572 20652 13141 42043 22315 23618 31225 52331 27565 23767 689 26340 22703 23560 23047 16756 36459 46780 31803 17827 19300 36516 46869 28083 53116 45406 28810 47371 75964 37214 39922 47519 34657 45197 38245 69011 69385 67251 26471 48097 133036 59398 61893 31299 38581 41696 76006 49557 33597 58341 42189 82614 32115 65494 45005 37419 64356 61370 62210 46232 39794 28636 62849 28215 34743 50897 35431 55612 58177 39539 48210 69049 48260 43720 28695 87432 43826 36286 39769 32432 77919 44230 53928 693.619m/z_7.763ri 16305 17932 16586 14720 16913 18012 1242 1831 2542 2040 2257 2572 1735 2826 1107 603 2067 1374 2099 2347 1962 3116 762 3247 745 2007 2142 2171 794 2357 1691 1321 1158 1458 1210 3098 2678 1925 3429 2251 2794 1279 1154 2118 2163 2876 4413 1524 1027 1252 1251 238 1046 773 1381 1381 1264 2267 1792 4017 1250 1388 2506 1599 2936 1928 2559 2538 2204 3702 4539 2014 2899 1033 1005 3128 3163 2988 4471 2419 4925 1065 7294 1591 4068 2454 4107 1673 3731 545 1691 1814 2337 2113 4424 3561 2554 4902 2068 4362 1190 1905 2309 2050 2289 2480 1531 1375 1455 2742 1180 1936 1559 1519 1889 2643 1388 1456 2318 2418 3273 1558 1747 3538 709.609m/z_7.805ri 12549 12982 13628 11924 12739 14288 2570 3764 5969 4330 2624 6334 4009 4198 3080 2634 2784 4868 2980 3745 2965 6442 2237 4559 1786 3338 2729 3185 2984 2537 4123 3805 2500 2996 4946 4291 2523 1089 3011 3568 2882 3304 3729 2346 4748 4599 4233 4842 2812 1914 2078 195 3892 2192 2047 1815 1626 8442 4238 5370 1843 2175 8020 4655 5261 5484 3308 6347 3082 6448 7307 6079 8373 2267 4441 5315 8362 5510 8401 3060 3463 10075 9440 4726 5901 10803 6331 6702 3510 1591 5904 5154 5394 6411 9439 3752 3123 4624 7992 6793 3707 8363 3833 6789 2882 3949 5684 4155 6266 4756 3352 4695 5807 5840 3274 5890 10499 5816 4874 2750 7379 9382 7555 7259 681.617m/z_8.094ri 6574 7333 7107 6129 7054 10801 9052 9748 12554 12676 28463 21264 13659 20358 9355 6415 33066 12903 14171 15666 9885 21824 9303 23280 9117 12997 11915 14026 7157 13939 22583 10489 9312 15173 9790 16546 18206 10369 19810 24254 12422 5750 5653 14622 11852 17467 17385 12322 13600 8961 8646 333 10496 6172 15560 9502 20070 16874 17114 30150 6639 23604 17259 16283 24101 16881 13776 11456 12696 42294 30737 17313 23365 9114 12329 48280 24546 24141 26656 9211 22702 29138 37780 22522 21198 15431 21352 17971 20601 11325 15210 14269 22694 14140 21623 22333 14175 24693 24790 23404 11495 10465 16198 21671 14839 14337 13847 9959 14769 17350 14138 17288 16750 19973 12810 28568 23314 14975 20395 12763 29462 18877 15830 28682 642.596m/z_8.35ri 1232 1340 1322 1305 1235 1798 2315 3419 1614 4198 1621 2538 977 3411 4904 2544 846 4198 4087 3111 3204 4736 2510 3316 1928 1933 2254 3280 2310 2890 2248 2420 4099 4494 1584 5280 3801 1496 3960 3419 2800 1286 2139 1349 3715 1466 1837 3888 2330 2726 3071 202 3270 1692 2257 2709 1385 3146 4322 3351 2314 1500 2771 3844 2643 6171 5122 2097 5285 8881 3602 1767 6468 5751 5038 2660 5589 4962 9868 2791 1837 10432 4886 7000 4068 3080 6252 5750 5816 2074 6166 5595 9170 3329 11589 6592 3891 4867 7950 8965 1909 4122 4209 8458 1970 1727 7463 2994 2097 8063 3840 2928 5374 6225 6721 2986 10026 3551 2419 4340 2924 8954 3969 3443 711.626m/z_8.384ri 7169 7298 7648 6824 7473 10311 6864 9982 14980 14784 23468 25125 14818 20672 11351 7199 22396 10858 10564 16606 18228 15164 10613 18447 8010 14917 16637 12940 7417 12822 21991 16461 13773 14830 10000 14668 15330 12401 19322 15535 12824 8387 10429 11578 14250 12720 17933 12166 13736 8569 11738 385 8629 5726 10431 12091 19446 23311 20801 30635 7148 22890 24593 19867 26079 15776 12578 15113 16059 47297 31313 19636 25638 10331 14720 39392 19788 20975 34395 16762 17348 28425 32424 27511 24875 24049 19249 15175 22044 13416 20999 20154 26001 14872 22855 17266 20700 21659 19161 32729 9808 17651 17010 23644 10284 11764 15072 13725 10429 24375 13100 13916 14538 15159 17305 39378 22659 17838 22739 12148 39967 19220 18829 31291 695.632m/z_8.407ri 14727 15977 14889 13738 14645 17573 8180 5544 3021 9813 5284 4360 1532 6765 5134 5203 4340 11157 10930 6150 3627 14294 5574 10439 5335 2902 5160 5173 4958 6114 4988 4640 6283 12166 3402 10508 8248 2307 8855 10757 4445 2298 2244 1972 8812 4906 2988 8148 5314 5866 4482 196 9544 4186 7270 4401 4487 4334 7717 7102 3832 4672 4210 7757 6202 14817 9521 3231 7947 20432 6218 3545 9426 5718 8801 10057 13291 13852 13426 3183 6006 16931 13085 12119 5728 5283 7755 10871 8532 4111 9347 7852 19899 6207 14295 16005 6750 12944 20838 11306 5631 4388 4970 12065 6118 4091 8937 5272 7180 9241 8124 8511 11431 16444 7780 6433 19883 6612 5564 8410 5863 15819 7375 8451 682.627m/z_8.524ri 1325 1281 1172 1257 1196 2285 1154 1364 3364 1562 1136 3086 2365 1119 1283 1164 1606 2076 1642 1371 1932 3437 965 1630 1013 1151 1094 1185 910 1269 1587 2154 1169 1262 2321 1981 1713 495 1063 1710 994 2265 1670 838 1570 2145 1990 2055 1368 839 700 270 1398 783 1123 693 865 4666 1986 2192 969 1194 5828 2040 1929 1974 1490 3855 1739 2667 3663 4606 2707 1195 2549 2749 3567 3208 3392 2321 2271 4472 2984 1970 2521 13446 3724 1850 2723 1007 2995 2592 2746 3346 6968 4057 1546 2118 5437 2359 2647 3497 1660 2990 1603 1152 3165 2298 5456 2316 1675 2713 1516 3546 1297 2786 6356 3059 3053 1265 3361 5069 3574 4405 544.45m/z_4.989ri 5167 6479 6811 5161 5880 8745 6566 8298 4524 11732 5102 6104 2978 9431 9492 7531 2946 9099 10218 6340 8335 10959 10157 8800 5841 4904 8632 6949 7956 6776 7288 7915 9514 12032 4886 9991 7899 4227 9071 10043 6363 5073 5445 3921 11545 5528 5680 8690 12667 7307 6532 263 7468 6192 6805 6417 4497 8083 12860 8163 4777 5664 8933 12447 7165 14399 12246 7801 13062 18806 9389 9074 13593 10220 12165 10261 17108 17014 17504 7463 12649 32552 15279 15099 8938 10269 9711 17837 12101 8843 15098 11786 21467 8366 16641 12310 10348 16062 16319 16658 12775 11171 7674 15444 7430 8295 12569 8313 13142 16088 11624 11612 17176 12701 11856 8367 22457 10944 8854 10336 7728 19837 12087 13406 570.466m/z_5.092ri 17896 18094 19763 17434 19484 21243 3996 5389 7863 7923 3750 5595 4478 5824 5327 4048 3316 6388 5682 4207 6743 6721 5827 4435 3125 6153 5031 5936 3959 5398 7108 7600 4309 6208 4346 4961 5432 3876 5067 5621 4978 5447 5757 4211 6934 3471 6082 6501 11282 6691 4887 413 5307 3526 3443 4389 3524 10475 11160 6715 3520 4329 10182 10406 6886 9618 8877 8786 7945 10468 8001 7989 8080 5607 9514 5927 12080 10518 11186 6407 6688 21207 9525 9159 8500 8600 8047 10809 9761 10840 10123 6805 10922 6946 11386 6601 8395 10397 8597 11079 7913 9589 8344 8424 4394 6192 8634 9852 9021 10296 6086 7730 10079 6542 7007 7018 11595 9583 7319 8107 6892 10250 11167 10852 600.512m/z_6.374ri 7348 8201 8404 7573 7847 16204 1433 2091 4032 2605 1815 1810 2916 1568 1682 1675 1976 2269 2404 2059 2037 3211 1093 2587 1223 1454 2221 2423 1852 1975 2949 3796 2138 2260 1414 2037 2893 1570 2095 2026 2076 2108 1731 1384 3041 1711 2770 2298 3938 3227 1790 174 1570 1548 1209 1620 2564 3784 3629 2336 1332 3087 4205 3282 2287 2068 2666 3597 1679 1752 3380 4796 1973 1311 2764 2406 3781 4637 3425 1679 3057 4303 5560 2117 3402 1449 2968 3226 3520 3183 3604 1798 3568 2531 3156 3645 1998 6544 2673 3402 5876 3223 2069 2892 1578 5035 2659 4394 2102 2577 2109 2917 2574 2277 2045 2264 3668 1576 1954 2556 1944 2711 2005 3041 584.517m/z_6.406ri 8493 9312 9643 8329 9118 13315 5503 4670 4404 6298 2656 3484 6390 3340 2285 3534 3035 5150 4923 1464 5114 8694 1755 2469 1525 2470 8582 2111 2622 1577 5986 1702 1850 2786 3708 3396 2061 3708 2991 4137 2993 2904 24438 4072 2027 6087 1726 11754 4215 2864 11503 1013 4756 2247 2656 11264 4388 6965 6157 2627 3040 5189 6347 6022 2179 4695 2296 10649 8836 1677 2364 2164 1568 1712 2918 7175 5691 4106 2685 5341 4359 2667 1308 1065 1760 1321 1593 3202 1231 717 1227 2786 8035 2799 6222 2565 2334 6556 6327 4065 3766 12466 2542 5646 2414 2433 4992 5640 3473 12347 2900 4466 3386 5075 9635 4687 4955 9723 5645 1981 4870 3946 10760 8250 626.529m/z_6.483ri 8248 8974 8907 7892 8950 12013 984 1069 2838 1653 1079 1037 2317 1411 1426 856 1188 991 1749 1074 1731 1823 732 1146 600 1538 1341 1808 987 1364 1858 1870 1575 1307 1190 1068 1792 1450 1762 1574 1662 2239 1779 1024 1495 1314 1700 1722 3017 2107 850 152 866 821 1039 1045 1134 3050 2175 2022 761 1450 2581 1972 1551 2195 1632 2814 1310 1647 1751 4142 2171 1259 1784 2655 2113 2672 2802 1524 2684 3544 2885 2047 3028 1838 2397 1786 1586 2268 2374 2247 3180 1842 2170 2439 1924 3218 2488 4142 2698 2890 2000 2559 1220 2364 2069 4292 1466 1782 1266 1359 2082 2019 1426 1515 2512 1747 2152 1865 1564 2354 1989 2546 612.549m/z_7.101ri 28270 35107 30562 27778 32032 30644 1207 1799 2611 1978 1421 1148 2644 1961 1555 1068 1531 1571 1983 1403 1465 2436 881 2097 879 1218 1438 1848 1169 1910 2048 2029 1190 1680 1275 2501 2049 1326 1541 1364 1851 2100 1667 1826 1696 1432 2733 1896 3995 2306 1285 195 1414 1484 895 1253 1889 2306 2499 2184 954 2252 1916 2276 1622 1942 2204 2170 1320 2197 2168 3561 2253 1238 1732 2893 2485 3836 2797 1182 2419 3788 3954 1863 2752 1792 2087 2248 2218 3278 2295 1485 2954 2278 2861 2352 1891 4413 1958 3465 3387 2234 2197 2377 1468 3578 1994 3945 2708 1970 1673 1864 2277 1937 1376 1851 2649 1555 1613 2346 1629 2158 2006 1967 680.575m/z_7.147ri 31710 33244 36173 29692 35296 64890 707 901 1322 4657 808 3709 3576 1866 826 654 1429 1666 3028 658 2360 1194 579 3682 2481 3195 509 3838 1151 509 1983 1828 2663 693 571 729 1464 1013 7155 971 3451 3453 3363 1588 3512 1981 4546 3056 3277 1071 769 401 1617 1257 731 818 1030 2673 3252 3544 451 1094 2015 2092 2144 7660 911 1296 1745 1767 6993 5121 5899 1758 6143 3686 2959 4183 5640 8901 11397 4692 3644 11151 7930 2107 6941 1857 2446 3047 7780 9553 11065 5248 8607 18922 7280 7552 5654 2902 5316 6067 3273 3357 3449 1498 4530 5789 2558 1163 407 2566 2609 5250 1227 1161 9132 3673 3345 1679 718 6357 3596 3629 668.575m/z_7.512ri 14642 15172 15339 13507 15114 23820 17204 16080 20946 43275 19035 43900 57047 36097 18419 21195 27228 39697 67809 19185 36085 25584 9493 47266 44586 42761 21879 56196 30762 15844 31606 34174 35385 18255 10249 15179 23930 25172 81981 21301 53490 53933 55935 30864 48036 32154 65394 50887 69517 27836 16792 10132 37040 32135 18643 20386 18340 42049 50429 44605 14192 17758 30849 36812 25443 79997 21827 28216 28614 27912 88625 47450 72943 29540 88109 51391 56214 74287 65229 89666 79736 59902 54032 74210 71485 35603 84619 40823 34971 24978 69581 90573 124597 66544 114023 163941 100833 92250 83865 43434 86319 65577 57627 45887 58222 33414 71855 97505 54307 26201 13168 46387 44476 75236 21570 24595 108379 53536 54006 29653 18532 79323 53649 66238 640.58m/z_7.782ri 38106 41662 39297 36365 39303 37032 1406 1293 1679 2863 1697 2732 3568 2546 1418 2000 1910 2676 4000 1450 2827 1760 1026 3434 2863 3028 1713 3143 2339 1366 2341 2161 2717 1579 869 1235 2182 1878 4895 1675 3818 3616 3324 2108 3075 2191 4284 3355 4926 2113 1374 960 2568 2101 1512 1562 1501 3081 3433 2928 1324 1483 2162 2380 1904 5659 1443 2003 1894 2330 5050 2775 4139 2206 5504 3124 4000 4844 4807 5103 4734 3621 3031 4319 4529 2835 4873 2511 2641 1779 4386 5368 6901 3832 6603 9132 5963 5552 4968 2664 4861 4418 3435 2847 3609 2787 4646 5618 3421 2092 1255 2883 2979 4528 1752 1766 6313 3498 3327 1845 1511 4258 3502 3830 682.591m/z_7.794ri 43398 47884 48066 42873 48531 56036 2545 2729 3555 6313 2643 5696 6845 5057 2709 3323 3633 5524 8838 2650 5123 3882 1365 6476 5729 5537 2809 6848 4474 2305 4111 4554 4893 2534 1246 2371 3205 3543 10451 3567 6724 6961 7297 4353 6880 4125 8183 7066 8348 3855 2849 2105 4840 4709 2540 2914 2291 5679 6670 5714 1967 2302 4233 4963 3581 10669 2846 4100 4398 3981 12029 6393 9465 4075 11501 7942 8017 10022 8293 11356 9516 6999 6937 9969 8621 4765 11073 5251 4627 3172 8133 13221 14617 8102 14112 23129 12588 12136 12198 5900 10830 8254 7305 6419 7703 4950 8613 12460 6789 3778 2401 5687 6205 9644 3165 3312 13956 6437 7182 4074 2366 9918 7004 9234 654.594m/z_8.105ri 10775 11838 10527 9902 11040 16072 573 386 953 6889 410 3872 3218 1056 398 423 1244 1220 2238 319 1857 944 480 3493 1372 2369 374 2035 746 446 1070 1240 2592 774 342 308 951 402 5765 638 1359 1146 2484 1387 3553 1064 3613 1893 1291 564 460 164 968 691 639 454 607 2234 3306 3110 360 741 2238 2557 1919 6329 789 1105 1505 1442 5631 6779 4421 1408 2423 6898 2691 2496 9137 6884 14595 3163 3513 14770 5396 1521 3273 1609 2493 2686 11285 10281 6645 4602 2774 15923 4315 7507 4322 3241 3022 6882 953 5734 1978 1229 2139 3520 1318 652 403 1747 1857 3590 736 708 7515 3606 1520 1258 632 4596 3604 2038 684.607m/z_8.387ri 24796 27055 26678 24529 27612 41244 6829 5533 14390 58234 6262 36503 41145 16586 6114 6393 13182 18138 31129 6569 20183 7939 2283 33010 20683 27186 5351 25138 11259 3470 10270 13454 27293 4673 2414 4206 6490 6351 55951 8142 21747 22733 33467 15433 31053 13100 43402 27977 27730 8015 5843 1663 16074 11219 6723 7431 5230 23900 35511 35708 5256 5419 17751 24190 22584 67645 10110 17808 21150 17989 60360 46376 53345 15295 49128 63148 31314 40709 68150 73947 83593 25273 39058 102324 50397 21848 48477 21268 23434 21513 73046 95083 84620 42030 58354 142747 61596 78996 49742 36223 48903 56205 19949 42018 26722 16935 33353 56091 20066 8601 2849 22541 26050 44030 8018 10024 80484 38097 26429 16244 7153 54869 39719 32278 668.611m/z_8.419ri 27057 32105 25016 24669 27147 27285 141727 133409 173471 310519 147410 314869 377815 261323 140219 167720 203447 303579 441862 147747 265004 181829 60047 308868 291336 290361 150395 325822 257792 111654 207595 226518 246331 123117 61187 118883 153707 172740 450077 156836 333244 346192 333812 213207 279006 208166 383463 326299 412479 210075 127695 76200 259924 236920 119959 143643 108476 288741 342364 272766 96843 113164 231672 256155 185746 430319 169300 236596 233201 217839 508720 302004 411252 218731 462566 386649 404164 429022 383303 477371 411473 290123 361814 382784 378648 246131 506934 286360 240511 123059 383292 529195 563414 391556 557669 630505 566702 431130 497075 281503 448352 355770 354721 282809 351517 241733 399240 547789 346596 189264 73282 292310 311697 437525 158546 173777 584593 331647 325756 196180 136085 423988 348985 435623 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type Cer (d34:1) 572.481 5.663 Fiehn Cer (d38:1) 628.544 7.079 Fiehn Cer (d39:1) 652.585 7.429 Fiehn Cer (d40:1) 666.599 7.757 Fiehn Cer (d40:2) 664.586 7.172 Fiehn Cer (d41:1) 680.618 8.072 Fiehn FA (18:1) 281.249 3.24 Fiehn PC (32:0) 778.56 5.529 Fiehn PC (32:1) 776.544 4.972 Fiehn PC (34:1) 804.575 5.6 Fiehn PC (34:2) 802.56 5.103 Fiehn PC (36:1) 832.607 6.274 Fiehn PC (36:2) 830.591 5.75 Fiehn PC (36:3) 828.575 5.183 Fiehn PC (36:4) B 826.56 5.005 Fiehn PC (38:4) 854.591 5.647 Fiehn PE (34:1) B 716.523 5.772 Fiehn PE (36:2) B 742.538 5.917 Fiehn PE (38:4) B 766.539 5.814 Fiehn PI (38:4) 885.549 4.982 Fiehn plasmenyl-PC (34:2) 786.562 5.391 Fiehn plasmenyl-PC (36:4) 810.563 5.273 Fiehn plasmenyl-PE (34:1) 700.525 6.107 Fiehn plasmenyl-PE (34:2) 698.512 5.579 Fiehn plasmenyl-PE (36:1) 728.559 6.791 Fiehn plasmenyl-PE (36:2) 726.543 6.254 Fiehn plasmenyl-PE (36:4) 722.512 5.455 Fiehn plasmenyl-PE (38:4) 750.543 6.12 Fiehn plasmenyl-PE (38:5) 748.528 5.515 Fiehn SM (d34:1) 747.565 4.799 Fiehn SM (d36:1) 775.595 5.471 Fiehn SM (d38:1) 803.627 6.164 Fiehn SM (d40:1) 831.659 6.857 Fiehn SM (d42:1) 859.691 7.531 Fiehn SM (d42:2) 857.674 6.826 Fiehn CSH_negESI #108 683.594 7.75 CSH_negESI #109 697.61 8.071 246.952m/z_0.479ri 246.952 0.479 388.274m/z_0.648ri 388.274 0.648 649.125m/z_0.722ri 649.125 0.722 476.102m/z_0.773ri 476.102 0.773 339.214m/z_2.614ri 339.214 2.614 653.405m/z_2.632ri 653.405 2.632 473.303m/z_2.995ri 473.303 2.995 635.41m/z_3.728ri 635.41 3.728 985.605m/z_3.798ri 985.605 3.798 911.567m/z_3.901ri 911.567 3.901 913.583m/z_3.916ri 913.583 3.916 432.36m/z_3.998ri 432.36 3.998 564.392m/z_4.061ri 564.392 4.061 446.376m/z_4.304ri 446.376 4.304 797.515m/z_4.514ri 797.515 4.514 1117.697m/z_4.585ri 1117.697 4.585 505.342m/z_4.875ri 505.342 4.875 597.484m/z_5.085ri 597.484 5.085 870.548m/z_5.102ri 870.548 5.102 558.465m/z_5.323ri 558.465 5.323 1171.744m/z_5.426ri 1171.744 5.426 1169.728m/z_5.431ri 1169.728 5.431 1173.76m/z_5.449ri 1173.76 5.449 872.563m/z_5.6ri 872.563 5.6 582.51m/z_5.675ri 582.51 5.675 556.486m/z_5.699ri 556.486 5.699 611.537m/z_6.393ri 611.537 6.393 637.509m/z_6.434ri 637.509 6.434 744.554m/z_6.449ri 744.554 6.449 663.521m/z_6.503ri 663.521 6.503 639.521m/z_6.973ri 639.521 6.973 629.492m/z_6.974ri 629.492 6.974 683.527m/z_6.983ri 683.527 6.983 709.545m/z_7.037ri 709.545 7.037 665.541m/z_7.051ri 665.541 7.051 630.541m/z_7.078ri 630.541 7.078 638.571m/z_7.081ri 638.571 7.081 639.568m/z_7.102ri 639.568 7.102 707.594m/z_7.153ri 707.594 7.153 656.558m/z_7.173ri 656.558 7.173 642.559m/z_7.427ri 642.559 7.427 626.558m/z_7.45ri 626.558 7.45 695.594m/z_7.509ri 695.594 7.509 676.624m/z_7.763ri 676.624 7.763 693.619m/z_7.763ri 693.619 7.763 709.609m/z_7.805ri 709.609 7.805 681.617m/z_8.094ri 681.617 8.094 642.596m/z_8.35ri 642.596 8.35 711.626m/z_8.384ri 711.626 8.384 695.632m/z_8.407ri 695.632 8.407 682.627m/z_8.524ri 682.627 8.524 544.45m/z_4.989ri 544.45 4.989 570.466m/z_5.092ri 570.466 5.092 600.512m/z_6.374ri 600.512 6.374 584.517m/z_6.406ri 584.517 6.406 626.529m/z_6.483ri 626.529 6.483 612.549m/z_7.101ri 612.549 7.101 680.575m/z_7.147ri 680.575 7.147 668.575m/z_7.512ri 668.575 7.512 640.58m/z_7.782ri 640.58 7.782 682.591m/z_7.794ri 682.591 7.794 654.594m/z_8.105ri 654.594 8.105 684.607m/z_8.387ri 684.607 8.387 668.611m/z_8.419ri 668.611 8.419 METABOLITES_END #END