#METABOLOMICS WORKBENCH nemkovt_20230425_150410 DATATRACK_ID:3892 STUDY_ID:ST002681 ANALYSIS_ID:AN004354 PROJECT_ID:PR001020 VERSION 1 CREATED_ON May 2, 2023, 10:50 am #PROJECT PR:PROJECT_TITLE Metabolic profile of individuals with and without type 2 diabetes from PR:PROJECT_TITLE sub-Saharan Africa PR:PROJECT_SUMMARY Epidemiological data predicts that Sub-Saharan Africa will have the largest PR:PROJECT_SUMMARY increase in type 2 diabetes (T2D) prevalence over the next two decades. PR:PROJECT_SUMMARY Metabolomics studies have identified biomarkers that could improve T2D diagnosis PR:PROJECT_SUMMARY and follow-up. However, no studies have characterized the metabolome of people PR:PROJECT_SUMMARY from Sub-Saharan Africa. Plasma samples from Senegalese individuals with T2D PR:PROJECT_SUMMARY (n=31) or without T2D (n=34) were compared using measures of oxidative stress PR:PROJECT_SUMMARY damage and plasma antioxidant enzyme activity, and mass-spectrometry-based PR:PROJECT_SUMMARY lipidomics and metabolomics analyses. Results showed that glucose, lactate, and PR:PROJECT_SUMMARY TCA metabolites (fumarate, malate, and succinate) were increased in the T2D PR:PROJECT_SUMMARY group, suggesting alterations in glycolysis and mitochondrial dysfunction. PR:PROJECT_SUMMARY Several amino acids (leucine, isoleucine, valine, and tryptophan) and long-to PR:PROJECT_SUMMARY very-long-chain fatty acids were higher in the T2D group. Finally, elevated PR:PROJECT_SUMMARY levels of ketone bodies and acylcarnitines were observed along with increased PR:PROJECT_SUMMARY levels of oxidative stress damage and anti-oxidant activity. In conclusion, the PR:PROJECT_SUMMARY T2D group exhibited modifications in metabolites previously shown to be PR:PROJECT_SUMMARY associated with T2D risk in populations from other areas of the world. Future PR:PROJECT_SUMMARY studies should seek to test whether these metabolites could be used as PR:PROJECT_SUMMARY predictors for T2D-related complications in people from Sub-Saharan Africa. PR:INSTITUTE University of Colorado Anschutz Medical Campus PR:LAST_NAME Nemkov PR:FIRST_NAME Travis PR:ADDRESS 12801 E 17th Avenue, RC-1 South, Rm 9121, Aurora, CO, 80045, USA PR:EMAIL travis.nemkov@cuanschutz.edu PR:PHONE 303-724-3253 #STUDY ST:STUDY_TITLE Non-T2D vs T2D ST:STUDY_SUMMARY Plasma samples from Senegalese individuals with T2D (n=31) or without T2D (n=34) ST:STUDY_SUMMARY were compared using mass-spectrometry-based metabolomics analyses. ST:INSTITUTE University of Colorado Anschutz Medical Campus ST:LAST_NAME Nemkov ST:FIRST_NAME Travis ST:ADDRESS 12801 E 17th Avenue, RC-1 South, Rm 9403G, Aurora, CO, 80045, USA ST:EMAIL travis.nemkov@cuanschutz.edu ST:PHONE 303-724-3253 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - Control_AKLA- Group:Control RAW_FILE_NAME=Control_AKLA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_AMDI- Group:Control RAW_FILE_NAME=Control_AMDI_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_BABI- Group:Control RAW_FILE_NAME=Control_BABI_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_BACO- Group:Control RAW_FILE_NAME=Control_BACO_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_BADA- Group:Control RAW_FILE_NAME=Control_BADA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_CECA- Group:Control RAW_FILE_NAME=Control_CECA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_COMA- Group:Control RAW_FILE_NAME=Control_COMA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_DIEM- Group:Control RAW_FILE_NAME=Control_DIEM_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_DIMA31- Group:Control RAW_FILE_NAME=Control_DIMA31_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_DOMA- Group:Control RAW_FILE_NAME=Control_DOMA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_EMYA- Group:Control RAW_FILE_NAME=Control_EMYA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_FAAH- Group:Control RAW_FILE_NAME=Control_FAAH_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_FAKA- Group:Control RAW_FILE_NAME=Control_FAKA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_FAND- Group:Control RAW_FILE_NAME=Control_FAND_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_HABA- Group:Control RAW_FILE_NAME=Control_HABA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_HOLE- Group:Control RAW_FILE_NAME=Control_HOLE_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_IBGA- Group:Control RAW_FILE_NAME=Control_IBGA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_KHGU- Group:Control RAW_FILE_NAME=Control_KHGU_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_MAMB- Group:Control RAW_FILE_NAME=Control_MAMB_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_MBKH- Group:Control RAW_FILE_NAME=Control_MBKH_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_MEPA- Group:Control RAW_FILE_NAME=Control_MEPA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_MOKE- Group:Control RAW_FILE_NAME=Control_MOKE_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_NDFA25- Group:Control RAW_FILE_NAME=Control_NDFA25_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_NDGU23- Group:Control RAW_FILE_NAME=Control_NDGU23_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_NGEU- Group:Control RAW_FILE_NAME=Control_NGEU_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_NZFE- Group:Control RAW_FILE_NAME=Control_NZFE_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_PAMA- Group:Control RAW_FILE_NAME=Control_PAMA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_RAFA- Group:Control RAW_FILE_NAME=Control_RAFA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_SAAD- Group:Control RAW_FILE_NAME=Control_SAAD_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_SAAL- Group:Control RAW_FILE_NAME=Control_SAAL_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_SACA23- Group:Control RAW_FILE_NAME=Control_SACA23_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_SADI- Group:Control RAW_FILE_NAME=Control_SADI_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_SALL- Group:Control RAW_FILE_NAME=Control_SALL_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_SESO- Group:Control RAW_FILE_NAME=Control_SESO_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_BASA- Group:T2D RAW_FILE_NAME=T2D_BASA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_CAFA- Group:T2D RAW_FILE_NAME=T2D_CAFA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_CODI- Group:T2D RAW_FILE_NAME=T2D_CODI_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DAFA60- Group:T2D RAW_FILE_NAME=T2D_DAFA60_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DIDA- Group:T2D RAW_FILE_NAME=T2D_DIDA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DIFA- Group:T2D RAW_FILE_NAME=T2D_DIFA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DIFA37- Group:T2D RAW_FILE_NAME=T2D_DIFA37_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DIKH- Group:T2D RAW_FILE_NAME=T2D_DIKH_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DSMA- Group:T2D RAW_FILE_NAME=T2D_DSMA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_FAAS- Group:T2D RAW_FILE_NAME=T2D_FAAS_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_FAOU- Group:T2D RAW_FILE_NAME=T2D_FAOU_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_GUOU- Group:T2D RAW_FILE_NAME=T2D_GUOU_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_GUSA- Group:T2D RAW_FILE_NAME=T2D_GUSA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_KAAD- Group:T2D RAW_FILE_NAME=T2D_KAAD_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_LEWA- Group:T2D RAW_FILE_NAME=T2D_LEWA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_MADI52- Group:T2D RAW_FILE_NAME=T2D_MADI52_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_MBPA- Group:T2D RAW_FILE_NAME=T2D_MBPA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_MOMB- Group:T2D RAW_FILE_NAME=T2D_MOMB_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDFA- Group:T2D RAW_FILE_NAME=T2D_NDFA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDMO- Group:T2D RAW_FILE_NAME=T2D_NDMO_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDND- Group:T2D RAW_FILE_NAME=T2D_NDND_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDOU- Group:T2D RAW_FILE_NAME=T2D_NDOU_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDPA- Group:T2D RAW_FILE_NAME=T2D_NDPA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NIIB- Group:T2D RAW_FILE_NAME=T2D_NIIB_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SADI- Group:T2D RAW_FILE_NAME=T2D_SADI_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SAKH- Group:T2D RAW_FILE_NAME=T2D_SAKH_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SAMO11- Group:T2D RAW_FILE_NAME=T2D_SAMO11_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SASE- Group:T2D RAW_FILE_NAME=T2D_SASE_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SODA- Group:T2D RAW_FILE_NAME=T2D_SODA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SOFA- Group:T2D RAW_FILE_NAME=T2D_SOFA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_THAN- Group:T2D RAW_FILE_NAME=T2D_THAN_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_AKLA+ Group:Control RAW_FILE_NAME=Control_AKLA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_AMDI+ Group:Control RAW_FILE_NAME=Control_AMDI_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_BABI+ Group:Control RAW_FILE_NAME=Control_BABI_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_BACO+ Group:Control RAW_FILE_NAME=Control_BACO_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_BADA+ Group:Control RAW_FILE_NAME=Control_BADA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_CECA+ Group:Control RAW_FILE_NAME=Control_CECA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_COMA+ Group:Control RAW_FILE_NAME=Control_COMA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_DIEM+ Group:Control RAW_FILE_NAME=Control_DIEM_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_DIMA31+ Group:Control RAW_FILE_NAME=Control_DIMA31_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_DOMA+ Group:Control RAW_FILE_NAME=Control_DOMA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_EMYA+ Group:Control RAW_FILE_NAME=Control_EMYA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_FAAH+ Group:Control RAW_FILE_NAME=Control_FAAH_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_FAKA+ Group:Control RAW_FILE_NAME=Control_FAKA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_FAND+ Group:Control RAW_FILE_NAME=Control_FAND_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_HABA+ Group:Control RAW_FILE_NAME=Control_HABA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_HOLE+ Group:Control RAW_FILE_NAME=Control_HOLE_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_IBGA+ Group:Control RAW_FILE_NAME=Control_IBGA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_KHGU+ Group:Control RAW_FILE_NAME=Control_KHGU_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_MAMB+ Group:Control RAW_FILE_NAME=Control_MAMB_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_MBKH+ Group:Control RAW_FILE_NAME=Control_MBKH_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_MEPA+ Group:Control RAW_FILE_NAME=Control_MEPA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_MOKE+ Group:Control RAW_FILE_NAME=Control_MOKE_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_NDFA25+ Group:Control RAW_FILE_NAME=Control_NDFA25_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_NDGU23+ Group:Control RAW_FILE_NAME=Control_NDGU23_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_NGEU+ Group:Control RAW_FILE_NAME=Control_NGEU_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_NZFE+ Group:Control RAW_FILE_NAME=Control_NZFE_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_PAMA+ Group:Control RAW_FILE_NAME=Control_PAMA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_RAFA+ Group:Control RAW_FILE_NAME=Control_RAFA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_SAAD+ Group:Control RAW_FILE_NAME=Control_SAAD_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_SAAL+ Group:Control RAW_FILE_NAME=Control_SAAL_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_SACA23+ Group:Control RAW_FILE_NAME=Control_SACA23_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_SADI+ Group:Control RAW_FILE_NAME=Control_SADI_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_SALL+ Group:Control RAW_FILE_NAME=Control_SALL_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_SESO+ Group:Control RAW_FILE_NAME=Control_SESO_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_BASA+ Group:T2D RAW_FILE_NAME=T2D_BASA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_CAFA+ Group:T2D RAW_FILE_NAME=T2D_CAFA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_CODI+ Group:T2D RAW_FILE_NAME=T2D_CODI_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DAFA60+ Group:T2D RAW_FILE_NAME=T2D_DAFA60_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DIDA+ Group:T2D RAW_FILE_NAME=T2D_DIDA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DIFA+ Group:T2D RAW_FILE_NAME=T2D_DIFA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DIFA37+ Group:T2D RAW_FILE_NAME=T2D_DIFA37_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DIKH+ Group:T2D RAW_FILE_NAME=T2D_DIKH_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DSMA+ Group:T2D RAW_FILE_NAME=T2D_DSMA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_FAAS+ Group:T2D RAW_FILE_NAME=T2D_FAAS_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_FAOU+ Group:T2D RAW_FILE_NAME=T2D_FAOU_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_GUOU+ Group:T2D RAW_FILE_NAME=T2D_GUOU_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_GUSA+ Group:T2D RAW_FILE_NAME=T2D_GUSA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_KAAD+ Group:T2D RAW_FILE_NAME=T2D_KAAD_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_LEWA+ Group:T2D RAW_FILE_NAME=T2D_LEWA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_MADI52+ Group:T2D RAW_FILE_NAME=T2D_MADI52_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_MBPA+ Group:T2D RAW_FILE_NAME=T2D_MBPA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_MOMB+ Group:T2D RAW_FILE_NAME=T2D_MOMB_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDFA+ Group:T2D RAW_FILE_NAME=T2D_NDFA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDMO+ Group:T2D RAW_FILE_NAME=T2D_NDMO_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDND+ Group:T2D RAW_FILE_NAME=T2D_NDND_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDOU+ Group:T2D RAW_FILE_NAME=T2D_NDOU_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDPA+ Group:T2D RAW_FILE_NAME=T2D_NDPA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NIIB+ Group:T2D RAW_FILE_NAME=T2D_NIIB_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SADI+ Group:T2D RAW_FILE_NAME=T2D_SADI_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SAKH+ Group:T2D RAW_FILE_NAME=T2D_SAKH_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SAMO11+ Group:T2D RAW_FILE_NAME=T2D_SAMO11_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SASE+ Group:T2D RAW_FILE_NAME=T2D_SASE_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SODA+ Group:T2D RAW_FILE_NAME=T2D_SODA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SOFA+ Group:T2D RAW_FILE_NAME=T2D_SOFA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_THAN+ Group:T2D RAW_FILE_NAME=T2D_THAN_pos.mzxml #COLLECTION CO:COLLECTION_SUMMARY Blood was drawn into fluoride tubes for glucose measurement, heparin tubes for CO:COLLECTION_SUMMARY lipid measurement, and EDTA tubes for HbA1c and metabolomics analyses. Plasma CO:COLLECTION_SUMMARY was isolated and stored at -80C until analysis. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY NA #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Prior to LC-MS analysis, 10ul of plasma was resuspended in 9 volumes of SP:SAMPLEPREP_SUMMARY pre-chilled (-20°C) methanol:acetonitrile:water (5:3:2, v:v) and vortexed SP:SAMPLEPREP_SUMMARY continuously for 30 min at 4°C. Insoluble material was removed by SP:SAMPLEPREP_SUMMARY centrifugation at 18,000 g for 10 min at 4°C and supernatants were isolated for SP:SAMPLEPREP_SUMMARY metabolomics analysis by UHPLC-MS. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Phenomenex Kinetex C18 (100 x 2.1mm,1.7um) CH:SOLVENT_A 5% acetonitrile 1mM ammonium acetate CH:SOLVENT_B 95% acetonitrile 1mM ammonium acetate CH:FLOW_GRADIENT 0-0.5min 5% B; 1.1min 95% B; 2.75min 95%B; 3min 5%B; 5min 5%B CH:FLOW_RATE 0.45 CH:COLUMN_TEMPERATURE 45 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS The Q Exactive mass spectrometer (ThermoFisher) was operated independently in MS:MS_COMMENTS positive or negative ion mode, scanning in Full MS mode (2 microscans) from 60 MS:MS_COMMENTS to 900 m/z at 70,000 resolution, with 4 kV spray voltage, 45 sheath gas, 15 MS:MS_COMMENTS auxiliary gas. Calibration was performed prior to analysis using the PierceTM MS:MS_COMMENTS Positive and Negative Ion Calibration Solutions (ThermoFisher). Acquired data MS:MS_COMMENTS was then converted from raw to mzXML file format using Mass Matrix (Cleveland, MS:MS_COMMENTS OH). Samples were analyzed in randomized order with a technical mixture injected MS:MS_COMMENTS periodically through analysis to qualify instrument performance. Metabolite MS:MS_COMMENTS assignments, isotopologue distributions, and correction for expected natural MS:MS_COMMENTS abundances of deuterium, 13C, and 15N isotopes were performed using MAVEN MS:MS_COMMENTS (Princeton, NJ) #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS AU MS_METABOLITE_DATA_START Samples Control_KHGU- Control_HABA- Control_NDFA25- Control_BACO- Control_FAKA- Control_AKLA- Control_RAFA- Control_DOMA- Control_PAMA- Control_SAAD- Control_NZFE- Control_DIEM- Control_DIMA31- Control_FAND- Control_SACA23- Control_BABI- Control_MBKH- Control_MEPA- Control_HOLE- Control_SAAL- Control_NGEU- Control_SESO- Control_FAAH- Control_EMYA- Control_NDGU23- Control_IBGA- Control_SADI- Control_MAMB- Control_COMA- Control_CECA- Control_AMDI- Control_MOKE- Control_BADA- Control_SALL- T2D_DSMA- T2D_MADI52- T2D_MOMB- T2D_SADI- T2D_BASA- T2D_NDOU- T2D_GUOU- T2D_MBPA- T2D_SODA- T2D_NDPA- T2D_NDMO- T2D_SOFA- T2D_LEWA- T2D_FAOU- T2D_NIIB- T2D_GUSA- T2D_KAAD- T2D_DIFA- T2D_DIDA- T2D_SAKH- T2D_NDFA- T2D_CAFA- T2D_DIFA37- T2D_DAFA60- T2D_THAN- T2D_CODI- T2D_DIKH- T2D_SAMO11- T2D_NDND- T2D_FAAS- T2D_SASE- Factors Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D ATP 6.98E+05 6.00E+04 4.31E+04 1.48E+04 2.74E+04 2.32E+04 2.12E+04 1.81E+04 1.33E+04 2.62E+04 7.78E+03 2.92E+03 7.70E+03 5.48E+03 4.70E+03 1.09E+04 7.51E+03 4.22E+03 3.42E+03 2.38E+03 3.65E+03 1.60E+04 2.32E+03 4.25E+03 1.69E+03 2.18E+04 1.84E+03 2.69E+04 8.44E+03 1.37E+03 7.53E+02 2.03E+03 1.36E+03 6.08E+03 1.41E+04 1.16E+04 9.95E+04 9.54E+03 1.89E+04 1.62E+05 9.60E+03 3.83E+03 2.09E+04 1.63E+05 3.23E+04 1.88E+04 2.16E+05 9.94E+03 3.20E+03 6.58E+03 1.81E+04 1.95E+04 2.07E+03 3.32E+05 8.38E+04 1.79E+05 1.31E+05 3.89E+04 7.42E+04 2.88E+05 3.08E+04 1.47E+03 1.40E+03 1.05E+05 2.80E+03 ADP 1.29E+06 4.13E+04 5.13E+04 4.37E+04 1.45E+05 2.07E+04 2.30E+04 1.18E+05 8.46E+04 1.94E+05 5.11E+04 1.55E+04 1.92E+04 7.72E+04 1.10E+04 2.30E+04 2.25E+04 5.27E+04 5.23E+04 7.34E+03 1.99E+04 3.99E+04 7.69E+04 4.22E+04 4.83E+04 1.05E+05 9.46E+03 9.92E+04 2.99E+04 1.94E+03 1.40E+04 2.98E+04 4.65E+03 4.46E+04 3.22E+04 1.02E+04 2.65E+05 4.01E+04 4.22E+04 5.17E+05 1.42E+05 1.86E+05 2.29E+05 7.31E+05 3.98E+05 1.20E+05 1.21E+06 9.45E+04 3.19E+04 1.01E+05 8.88E+04 2.11E+05 6.82E+04 1.39E+06 3.12E+05 8.70E+05 4.21E+05 1.03E+05 2.59E+05 1.32E+06 2.85E+05 3.10E+03 1.32E+05 3.59E+05 5.02E+03 AMP 3.11E+05 2.70E+04 6.93E+04 4.94E+04 4.35E+04 2.30E+04 3.66E+03 8.61E+04 7.95E+04 3.24E+05 3.54E+04 1.38E+04 4.06E+04 6.56E+04 1.57E+04 4.80E+04 3.20E+04 1.52E+04 5.45E+04 4.25E+04 1.37E+04 5.14E+04 3.32E+04 3.98E+04 8.12E+04 9.13E+04 3.00E+04 6.96E+04 1.76E+04 2.71E+03 6.09E+03 3.13E+04 7.67E+03 5.12E+04 3.00E+04 1.52E+04 1.32E+05 3.89E+04 4.74E+04 6.35E+05 6.14E+05 3.24E+05 2.68E+05 8.85E+05 8.53E+05 7.15E+04 5.60E+05 7.24E+04 7.68E+04 6.25E+04 9.37E+04 9.99E+04 1.38E+05 7.09E+05 3.76E+05 5.15E+05 2.34E+05 1.52E+05 5.99E+05 7.29E+05 2.40E+05 5.96E+03 2.55E+05 3.23E+05 1.44E+04 GTP 1.18E+04 9.04E+03 7.03E+02 6.41E+02 3.69E+03 5.10E+02 0.00E+00 0.00E+00 5.73E+03 0.00E+00 4.06E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 5.51E+02 2.80E+02 5.42E+03 2.51E+03 0.00E+00 0.00E+00 7.45E+03 1.78E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 3.60E+02 2.44E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 3.66E+03 6.35E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 5.92E+03 5.96E+02 5.00E+03 0.00E+00 4.21E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 4.17E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 8.41E+02 7.37E+03 8.11E+03 0.00E+00 0.00E+00 1.00E+04 1.04E+04 3.98E+02 4.77E+03 1.88E+03 0.00E+00 GDP 1.18E+05 6.52E+03 4.95E+02 0.00E+00 0.00E+00 4.48E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 3.44E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 5.95E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 2.28E+04 1.74E+03 0.00E+00 1.14E+04 6.53E+04 3.56E+04 4.66E+02 1.49E+05 0.00E+00 0.00E+00 0.00E+00 0.00E+00 7.78E+03 0.00E+00 1.38E+05 0.00E+00 4.16E+04 1.13E+04 0.00E+00 0.00E+00 1.22E+05 5.62E+03 0.00E+00 1.12E+04 1.53E+04 0.00E+00 GMP 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1.25E+03 0.00E+00 0.00E+00 5.64E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1.38E+04 0.00E+00 1.30E+03 0.00E+00 0.00E+00 1.08E+03 0.00E+00 9.92E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 4.50E+03 0.00E+00 1.98E+04 4.71E+04 8.24E+03 1.76E+04 6.86E+04 4.83E+04 1.03E+03 3.70E+04 0.00E+00 4.56E+02 1.08E+03 0.00E+00 0.00E+00 4.77E+03 6.02E+04 0.00E+00 3.38E+04 0.00E+00 0.00E+00 8.16E+03 1.63E+04 1.43E+04 0.00E+00 3.57E+03 0.00E+00 0.00E+00 UDP 2.99E+05 4.69E+05 5.85E+05 6.73E+05 7.83E+05 7.09E+05 6.26E+05 8.78E+05 9.53E+05 2.14E+06 1.80E+06 1.95E+06 1.94E+06 1.85E+06 2.01E+06 2.22E+06 2.48E+06 1.67E+06 2.65E+06 2.16E+06 2.20E+06 1.95E+06 2.36E+06 2.71E+06 2.10E+06 2.30E+06 2.63E+06 1.91E+06 2.41E+06 2.12E+06 1.91E+06 2.11E+06 2.17E+06 2.02E+06 8.35E+05 9.67E+05 1.38E+06 1.10E+06 1.60E+06 1.79E+06 1.59E+06 1.70E+06 1.50E+06 2.00E+06 2.28E+06 2.06E+06 2.25E+06 1.67E+06 2.16E+06 1.98E+06 2.07E+06 1.67E+06 2.27E+06 2.86E+06 2.64E+06 2.38E+06 2.71E+06 2.70E+06 2.96E+06 2.25E+06 2.35E+06 1.99E+06 2.18E+06 2.34E+06 2.68E+06 UMP 5.74E+02 3.60E+03 6.00E+03 4.62E+02 2.13E+03 3.01E+03 4.39E+02 4.87E+02 3.97E+02 0.00E+00 3.98E+02 0.00E+00 1.16E+03 0.00E+00 0.00E+00 2.26E+03 2.86E+03 3.79E+02 0.00E+00 0.00E+00 1.05E+03 0.00E+00 0.00E+00 0.00E+00 3.33E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 3.45E+02 0.00E+00 4.73E+02 0.00E+00 1.65E+03 0.00E+00 5.01E+02 0.00E+00 1.30E+04 3.94E+02 7.39E+03 4.30E+04 2.11E+04 0.00E+00 2.81E+04 4.32E+02 0.00E+00 0.00E+00 8.25E+02 3.20E+02 0.00E+00 1.09E+04 0.00E+00 2.34E+04 0.00E+00 0.00E+00 2.09E+04 2.85E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 IMP 5.83E+04 1.86E+03 9.39E+03 1.79E+03 1.73E+03 1.77E+03 1.85E+03 9.43E+02 6.38E+02 0.00E+00 0.00E+00 4.02E+02 0.00E+00 4.92E+02 0.00E+00 1.25E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1.20E+03 3.23E+02 0.00E+00 0.00E+00 0.00E+00 1.30E+03 6.97E+02 5.60E+02 1.10E+03 5.22E+02 1.96E+05 8.83E+04 1.65E+04 9.45E+04 5.28E+05 2.52E+05 5.67E+02 2.13E+05 0.00E+00 6.70E+02 4.91E+02 0.00E+00 0.00E+00 0.00E+00 1.72E+05 1.04E+04 4.27E+04 2.07E+04 0.00E+00 1.35E+03 6.06E+03 0.00E+00 0.00E+00 0.00E+00 2.27E+04 0.00E+00 Inosine 1.89E+04 3.80E+04 4.45E+04 7.71E+04 8.99E+03 6.98E+03 1.04E+04 1.24E+04 1.78E+04 8.99E+04 1.31E+04 1.63E+04 1.58E+04 1.56E+04 1.39E+04 1.37E+04 3.44E+04 1.12E+04 3.22E+04 1.68E+04 1.46E+04 1.65E+04 1.75E+04 2.33E+04 4.37E+04 6.72E+04 2.44E+04 1.61E+04 4.83E+04 8.15E+03 1.32E+04 5.23E+03 6.13E+03 4.51E+03 7.52E+03 1.16E+04 1.13E+05 1.54E+04 2.67E+04 1.13E+05 9.95E+05 7.82E+04 1.63E+05 1.66E+06 1.99E+05 1.03E+04 4.32E+04 5.16E+03 4.49E+04 3.25E+04 4.94E+04 1.99E+04 1.02E+04 7.79E+04 2.73E+04 4.64E+04 5.29E+04 3.28E+04 8.27E+04 7.05E+04 2.51E+04 1.95E+04 2.02E+04 8.79E+04 9.48E+03 (S)(+)-Allantoin 1.15E+04 8.06E+03 1.69E+04 2.93E+04 4.75E+03 2.21E+04 1.22E+04 1.85E+03 3.52E+04 1.97E+04 1.19E+04 6.88E+03 1.72E+04 1.46E+04 1.40E+04 1.61E+04 3.53E+04 5.70E+03 2.52E+04 1.50E+04 5.10E+03 2.33E+04 1.16E+04 4.56E+04 3.59E+04 1.47E+04 2.63E+04 2.43E+04 3.13E+04 1.55E+04 1.32E+04 1.17E+04 4.07E+04 1.70E+04 1.15E+04 1.94E+04 3.51E+04 5.84E+03 5.03E+04 4.30E+04 3.95E+04 5.56E+04 2.07E+04 7.71E+04 1.05E+05 2.67E+04 3.07E+04 1.62E+04 5.81E+04 2.20E+04 2.86E+04 1.12E+04 4.59E+04 3.02E+04 3.79E+04 1.36E+05 3.25E+04 6.14E+04 5.49E+04 4.19E+04 3.67E+04 2.58E+04 5.31E+04 2.09E+04 2.54E+04 Urate 8.76E+07 5.07E+07 8.89E+07 1.20E+08 2.46E+07 3.48E+07 2.30E+07 2.83E+07 3.63E+07 1.37E+08 2.55E+07 1.59E+07 1.48E+07 1.54E+07 1.07E+07 9.61E+07 9.68E+07 3.66E+06 4.37E+07 3.97E+07 4.40E+06 1.35E+07 9.16E+07 7.85E+07 8.36E+07 1.02E+08 1.67E+07 1.12E+07 8.63E+07 7.77E+06 6.30E+06 6.14E+06 1.09E+07 6.99E+06 1.84E+07 3.28E+07 1.25E+08 2.82E+07 5.84E+07 8.55E+07 3.76E+07 4.86E+07 2.11E+07 1.12E+08 1.54E+08 1.10E+07 6.41E+07 1.30E+07 1.69E+07 1.97E+07 7.94E+07 5.81E+06 1.20E+07 1.21E+08 1.07E+08 1.09E+08 8.94E+07 1.21E+08 8.80E+07 6.36E+07 1.07E+08 1.09E+07 1.02E+07 8.78E+07 9.38E+06 Pyridoxal 1.16E+03 9.50E+02 1.05E+03 7.75E+02 1.23E+03 1.22E+03 6.65E+02 1.53E+03 1.27E+04 9.39E+02 1.32E+03 1.43E+03 1.19E+03 2.59E+03 2.69E+03 1.58E+03 8.58E+02 1.03E+03 1.26E+03 2.77E+03 1.11E+03 1.13E+03 3.82E+04 6.37E+03 7.50E+02 5.94E+02 2.52E+03 5.28E+03 8.82E+02 9.08E+03 1.17E+03 1.71E+03 1.06E+03 1.20E+03 9.01E+02 2.06E+03 1.54E+04 1.25E+03 2.76E+03 1.15E+03 4.10E+03 6.72E+04 1.23E+03 1.46E+03 2.45E+04 1.14E+03 6.60E+03 1.90E+03 2.38E+03 1.92E+05 5.74E+03 1.80E+03 7.54E+02 1.28E+05 5.72E+03 1.12E+03 8.93E+02 8.42E+03 1.05E+03 8.97E+04 5.21E+02 1.58E+03 1.17E+03 6.05E+02 1.63E+03 4-Pyridoxate 1.91E+04 4.33E+02 3.25E+04 7.77E+04 5.30E+03 3.41E+04 0.00E+00 2.49E+04 0.00E+00 2.82E+04 9.63E+03 1.12E+04 1.54E+04 1.04E+04 4.57E+03 0.00E+00 3.83E+04 3.81E+03 2.53E+05 1.73E+04 7.81E+03 1.11E+04 1.06E+05 5.56E+04 3.39E+04 6.28E+04 1.82E+04 3.13E+04 5.29E+04 9.38E+03 2.38E+04 9.01E+03 2.13E+04 8.40E+03 0.00E+00 2.03E+04 4.70E+05 1.07E+04 2.70E+04 1.09E+05 1.31E+04 5.91E+04 1.60E+04 4.14E+05 6.61E+05 1.73E+04 3.54E+04 1.23E+04 3.63E+04 2.29E+07 1.56E+05 6.44E+03 1.23E+04 2.04E+04 9.58E+04 7.08E+04 8.02E+04 2.06E+05 2.40E+05 2.26E+04 1.69E+04 9.27E+03 1.80E+04 5.62E+04 1.45E+04 Diphosphate 5.70E+05 5.71E+05 6.73E+05 1.11E+06 2.26E+05 3.37E+05 8.96E+04 1.15E+05 2.14E+05 9.28E+05 1.55E+05 1.25E+05 1.13E+05 2.00E+05 1.45E+05 5.89E+05 6.58E+05 4.42E+04 5.42E+05 2.54E+05 1.69E+05 3.17E+05 7.06E+05 1.24E+06 9.01E+05 1.66E+06 2.93E+05 3.09E+05 1.22E+06 1.97E+05 1.16E+05 6.57E+04 5.34E+04 1.19E+05 1.19E+05 1.94E+05 7.40E+05 8.42E+04 2.80E+05 1.62E+06 1.47E+05 3.95E+05 1.87E+05 1.19E+06 1.02E+06 1.08E+05 7.42E+05 1.05E+05 6.96E+04 1.32E+05 8.59E+05 8.56E+04 1.79E+05 1.37E+06 8.38E+05 2.04E+06 1.39E+06 1.34E+06 6.31E+05 1.35E+06 1.54E+06 2.85E+05 2.11E+05 2.16E+06 1.21E+05 D-Glucose 2.62E+07 2.53E+07 3.27E+07 2.12E+07 1.58E+07 1.59E+07 1.14E+07 1.64E+07 1.99E+07 1.90E+07 1.69E+07 1.32E+07 1.23E+07 1.43E+07 1.53E+07 2.86E+07 2.21E+07 9.12E+06 2.37E+07 1.58E+07 1.22E+07 1.48E+07 2.00E+07 1.99E+07 2.26E+07 2.29E+07 1.71E+07 1.96E+07 3.01E+07 8.88E+06 1.30E+07 1.14E+07 1.44E+07 1.25E+07 1.10E+07 1.77E+07 4.69E+07 4.44E+07 2.39E+07 1.62E+07 1.02E+07 3.74E+07 2.60E+07 1.62E+07 2.68E+07 3.90E+07 3.53E+07 1.55E+07 1.48E+07 1.76E+07 2.46E+07 1.11E+07 1.49E+07 7.09E+07 1.43E+07 2.82E+07 2.10E+07 1.92E+07 3.37E+07 3.83E+07 2.90E+07 1.50E+07 5.45E+07 1.43E+07 1.88E+07 D-Glyceraldehyde 3-phosphate/Glycerone phosphate 4.92E+07 4.58E+07 3.01E+07 6.39E+07 5.31E+04 5.86E+04 3.81E+04 4.65E+04 6.09E+04 6.33E+07 6.65E+04 6.31E+04 5.80E+04 7.04E+04 7.54E+04 6.72E+07 5.59E+07 6.18E+04 1.25E+07 4.60E+05 6.04E+04 2.84E+05 5.72E+07 5.39E+07 6.93E+07 6.41E+07 5.50E+04 5.84E+04 5.94E+07 5.64E+04 5.72E+04 5.76E+04 6.89E+04 4.28E+04 6.75E+04 6.82E+04 8.10E+07 5.69E+04 3.90E+06 7.27E+07 4.88E+04 5.99E+04 6.13E+04 7.22E+07 5.16E+07 6.85E+04 2.56E+07 5.93E+04 5.80E+04 4.79E+05 6.87E+07 5.25E+04 9.68E+04 5.90E+07 6.52E+07 5.94E+07 5.70E+07 5.67E+07 4.03E+07 5.46E+07 6.17E+07 5.89E+04 2.69E+05 5.13E+07 4.73E+04 2-3-Bisphosphoglycerate 6.91E+05 4.78E+05 3.88E+05 3.05E+05 2.77E+05 2.14E+05 1.90E+05 1.71E+05 1.61E+05 3.24E+04 4.77E+04 4.06E+04 5.89E+04 3.85E+04 3.56E+04 3.64E+04 3.95E+04 1.93E+04 1.36E+04 2.19E+04 1.70E+04 7.59E+03 5.95E+04 1.22E+04 5.41E+03 7.55E+03 1.11E+04 1.58E+04 5.79E+03 1.23E+04 1.56E+04 9.87E+03 1.10E+04 1.31E+04 1.40E+05 1.23E+05 1.29E+05 1.15E+05 1.09E+05 1.09E+05 9.87E+04 7.87E+04 8.15E+04 1.43E+04 1.33E+04 3.39E+04 3.27E+04 2.95E+04 2.82E+04 2.56E+04 9.11E+04 1.77E+04 1.46E+04 7.22E+03 2.20E+04 1.71E+04 1.26E+04 2.12E+04 2.73E+04 1.20E+04 2.94E+04 1.25E+04 1.32E+04 1.31E+04 1.25E+04 2/3-Phospho-D-glycerate 4.86E+05 1.55E+05 1.52E+05 1.33E+05 8.10E+04 5.63E+04 1.40E+04 3.68E+04 1.16E+05 5.31E+05 5.68E+04 6.71E+04 8.68E+04 1.79E+05 2.82E+04 1.33E+05 1.40E+05 4.42E+04 9.24E+04 6.13E+04 2.73E+04 6.60E+04 4.45E+04 1.33E+05 1.15E+05 1.14E+05 2.51E+04 1.24E+05 7.00E+04 1.11E+04 7.12E+04 9.77E+04 1.44E+04 9.14E+04 1.11E+05 5.56E+04 2.79E+05 2.30E+04 6.70E+04 4.23E+05 6.08E+05 1.50E+05 2.01E+05 8.97E+05 3.54E+05 5.55E+04 3.50E+05 8.19E+04 2.65E+04 5.41E+04 1.78E+05 1.18E+05 8.92E+04 4.62E+05 2.67E+05 3.60E+05 2.53E+05 3.03E+05 6.46E+05 5.41E+05 1.28E+05 1.61E+04 1.26E+05 4.26E+05 2.52E+04 Phosphoenolpyruvate 8.89E+04 5.27E+04 4.55E+04 3.68E+04 3.16E+04 2.40E+04 2.52E+04 1.89E+04 2.11E+04 1.61E+04 7.25E+03 6.51E+03 4.84E+03 5.09E+03 5.54E+03 5.07E+03 5.94E+03 1.61E+03 4.06E+03 3.32E+03 1.14E+03 3.60E+03 1.13E+04 9.53E+02 9.15E+02 1.43E+03 8.80E+02 1.10E+03 7.28E+02 9.28E+02 1.32E+03 9.22E+02 2.24E+03 7.71E+02 1.88E+04 1.40E+04 1.35E+04 1.29E+04 1.31E+04 4.07E+04 1.06E+04 9.06E+03 1.11E+04 1.75E+04 1.12E+04 4.59E+03 1.02E+04 4.76E+03 3.69E+03 3.54E+03 3.97E+03 2.31E+03 1.87E+03 1.79E+03 3.13E+04 1.33E+04 7.50E+02 8.72E+02 1.66E+03 1.41E+04 5.99E+03 9.24E+02 6.61E+02 1.40E+04 5.98E+02 Pyruvate 4.32E+06 2.02E+06 3.85E+06 7.50E+06 2.62E+06 2.32E+06 1.34E+06 1.32E+06 2.41E+06 6.00E+06 2.48E+06 7.87E+05 1.69E+06 2.88E+06 2.13E+06 3.82E+06 5.34E+06 8.20E+05 4.21E+06 2.02E+06 2.07E+06 1.71E+06 5.82E+06 5.74E+06 3.53E+06 8.97E+06 3.39E+06 5.48E+06 4.25E+06 2.05E+06 1.66E+06 1.00E+06 1.50E+06 1.65E+06 2.03E+06 2.74E+06 6.42E+06 1.27E+06 2.01E+06 5.18E+06 7.14E+05 1.07E+06 1.38E+06 2.83E+06 3.10E+06 1.37E+06 2.89E+06 1.19E+06 7.41E+05 1.03E+06 3.62E+06 7.85E+05 1.49E+06 4.15E+06 3.05E+06 3.61E+06 3.78E+06 4.95E+06 3.92E+06 2.51E+06 3.13E+06 3.99E+06 1.52E+06 1.31E+07 7.30E+05 Lactate 9.19E+07 4.18E+07 6.77E+07 1.08E+08 3.15E+07 2.90E+07 2.93E+07 1.95E+07 5.09E+07 1.19E+08 3.25E+07 1.34E+07 2.68E+07 5.47E+07 3.09E+07 7.11E+07 6.35E+07 1.29E+07 5.10E+07 3.60E+07 2.74E+07 4.62E+07 6.51E+07 6.53E+07 1.20E+08 1.19E+08 4.49E+07 6.38E+07 5.72E+07 2.84E+07 3.50E+07 1.86E+07 1.90E+07 3.46E+07 4.38E+07 5.02E+07 1.26E+08 6.28E+07 6.49E+07 1.76E+08 9.64E+07 1.03E+08 9.40E+07 1.82E+08 1.39E+08 3.10E+07 9.30E+07 3.03E+07 1.82E+07 3.04E+07 7.85E+07 2.91E+07 7.28E+07 9.62E+07 1.72E+08 9.96E+07 1.07E+08 8.22E+07 1.86E+08 7.01E+07 7.72E+07 4.39E+07 8.41E+07 1.38E+08 2.63E+07 Maltose/Sucrose 1.25E+05 6.23E+04 7.08E+04 7.64E+04 5.62E+04 2.45E+04 6.12E+04 6.37E+04 7.35E+04 1.12E+05 1.00E+05 3.80E+04 5.85E+04 6.09E+04 2.81E+04 8.32E+04 5.08E+04 4.60E+05 1.46E+05 5.80E+04 4.25E+04 1.06E+05 6.78E+04 6.74E+04 8.56E+04 3.49E+04 4.97E+04 7.77E+04 8.19E+04 7.36E+04 4.91E+04 3.30E+04 5.82E+04 5.71E+04 6.23E+04 6.36E+04 9.64E+04 6.30E+04 6.71E+04 5.76E+03 4.81E+04 9.78E+04 1.83E+05 1.14E+05 1.43E+05 1.69E+05 1.65E+05 1.35E+05 1.33E+05 7.93E+04 6.49E+04 2.76E+05 5.95E+04 3.60E+05 1.35E+05 1.75E+05 7.05E+04 1.63E+04 7.33E+04 2.81E+05 7.34E+04 5.06E+04 2.96E+05 4.39E+04 4.13E+04 Maltotriose 5.12E+04 0.00E+00 0.00E+00 0.00E+00 2.35E+04 1.06E+03 2.24E+03 1.32E+03 9.23E+03 0.00E+00 2.17E+04 2.29E+03 1.33E+04 1.14E+04 0.00E+00 0.00E+00 6.31E+03 1.48E+04 0.00E+00 3.65E+03 0.00E+00 2.43E+03 0.00E+00 0.00E+00 3.33E+03 0.00E+00 1.76E+03 1.70E+04 0.00E+00 1.20E+03 1.18E+03 1.57E+03 7.18E+03 6.55E+03 7.99E+03 3.05E+03 8.99E+03 5.28E+03 8.11E+03 0.00E+00 2.55E+03 7.76E+03 1.35E+04 7.52E+03 0.00E+00 3.83E+04 8.93E+04 2.02E+04 1.81E+04 1.89E+04 0.00E+00 4.19E+04 1.36E+04 1.17E+05 0.00E+00 1.83E+04 9.38E+03 0.00E+00 0.00E+00 6.16E+04 4.90E+03 5.39E+03 6.62E+04 0.00E+00 8.45E+03 Mannitol/Sorbitol/Glucitol/Iditol 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1.60E+05 0.00E+00 0.00E+00 0.00E+00 8.19E+04 0.00E+00 1.07E+06 1.08E+05 0.00E+00 0.00E+00 0.00E+00 6.29E+04 0.00E+00 0.00E+00 4.35E+04 0.00E+00 1.30E+05 0.00E+00 2.68E+05 1.83E+05 0.00E+00 0.00E+00 0.00E+00 1.86E+05 1.79E+05 1.04E+05 0.00E+00 0.00E+00 0.00E+00 1.89E+05 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 3.63E+05 0.00E+00 2.11E+06 2.02E+05 1.76E+05 1.42E+06 0.00E+00 8.84E+04 3.72E+05 2.37E+05 5.13E+05 4.50E+05 0.00E+00 1.91E+05 2.75E+05 5.42E+05 3.15E+05 0.00E+00 1.68E+05 0.00E+00 6.78E+04 D-Ribose 6.28E+05 5.77E+05 7.82E+05 8.83E+05 3.76E+05 4.54E+05 2.75E+05 3.90E+05 4.60E+05 1.90E+06 3.93E+05 3.41E+05 3.84E+05 3.57E+05 3.60E+05 7.13E+05 7.95E+05 2.12E+05 6.43E+05 4.10E+05 3.14E+05 3.87E+05 5.09E+05 7.34E+05 6.29E+05 6.52E+05 4.34E+05 5.19E+05 8.50E+05 2.30E+05 3.31E+05 3.02E+05 3.66E+05 2.81E+05 2.74E+05 4.33E+05 1.33E+06 1.10E+06 5.75E+05 6.58E+05 2.47E+05 8.96E+05 6.39E+05 7.97E+05 5.02E+06 1.00E+06 8.91E+05 3.23E+05 6.56E+05 4.48E+05 6.54E+05 2.89E+05 4.06E+05 1.85E+06 6.33E+05 1.64E+06 5.54E+05 7.25E+05 8.83E+05 1.85E+06 8.04E+05 3.72E+05 1.42E+06 4.45E+05 4.88E+05 D-Rhamnose 2.63E+06 1.86E+06 3.23E+06 1.71E+06 8.58E+05 1.02E+06 6.16E+05 1.13E+06 9.17E+05 1.57E+06 1.87E+06 1.49E+06 9.31E+05 4.53E+05 1.24E+06 3.80E+06 1.80E+06 5.39E+05 2.23E+06 2.04E+06 8.91E+05 7.51E+05 3.14E+06 3.53E+06 4.52E+06 9.75E+05 1.49E+06 5.99E+05 2.21E+06 1.74E+06 5.14E+05 1.59E+06 7.69E+05 1.51E+06 8.96E+05 1.12E+06 4.09E+05 1.07E+05 7.61E+05 1.36E+06 1.37E+06 4.23E+05 1.08E+05 1.22E+06 7.71E+05 2.10E+04 1.17E+06 1.29E+06 5.11E+05 8.02E+05 3.08E+06 7.63E+05 8.53E+05 1.06E+05 2.57E+06 1.17E+06 2.18E+06 2.72E+06 6.30E+05 1.84E+06 3.56E+06 2.06E+05 1.51E+04 3.21E+06 8.21E+05 D-Arabitol/Xylitol/Ribitol 1.06E+05 6.24E+04 1.02E+05 1.09E+05 2.73E+04 5.38E+04 3.55E+04 3.09E+04 4.96E+04 1.49E+05 5.97E+04 3.68E+04 5.99E+04 4.51E+04 2.40E+04 7.38E+04 1.09E+05 2.34E+04 1.16E+05 5.45E+04 3.09E+04 6.22E+04 9.90E+04 1.27E+05 1.09E+05 1.29E+05 4.68E+04 4.25E+04 1.14E+05 3.74E+04 2.95E+04 3.92E+04 3.63E+04 4.83E+04 4.72E+04 5.37E+04 2.02E+05 4.55E+04 9.25E+04 5.56E+04 5.65E+04 9.78E+04 4.37E+04 1.45E+05 3.58E+05 5.35E+04 1.21E+05 3.99E+04 1.03E+05 1.02E+05 1.14E+05 5.05E+05 4.85E+05 9.04E+04 1.86E+06 1.51E+05 1.08E+05 1.20E+05 1.07E+05 1.76E+05 1.42E+05 4.88E+04 5.40E+04 1.24E+05 2.83E+04 Citrate 4.86E+07 3.66E+07 4.01E+07 5.52E+07 1.20E+07 1.61E+07 8.14E+06 9.98E+06 1.68E+07 5.74E+07 1.49E+07 9.03E+06 1.25E+07 9.81E+06 6.18E+06 4.99E+07 5.30E+07 6.22E+06 2.34E+07 1.81E+07 9.10E+06 1.17E+07 5.21E+07 4.81E+07 4.78E+07 4.95E+07 1.97E+07 1.36E+07 3.90E+07 1.27E+07 8.10E+06 8.21E+06 7.51E+06 8.26E+06 8.49E+06 1.40E+07 6.72E+07 1.64E+07 2.10E+07 4.97E+07 1.45E+07 1.35E+07 8.44E+06 4.99E+07 6.28E+07 1.41E+07 4.29E+07 1.07E+07 1.16E+07 1.81E+07 4.52E+07 8.60E+06 1.87E+07 5.77E+07 4.73E+07 5.51E+07 4.61E+07 5.16E+07 5.36E+07 6.35E+07 6.15E+07 1.82E+07 9.48E+06 5.10E+07 9.92E+06 2-Oxoglutarate 4.34E+05 3.38E+05 4.26E+05 5.80E+05 1.50E+05 1.82E+05 3.31E+05 1.72E+05 2.99E+05 1.14E+06 3.00E+05 2.19E+05 3.18E+05 2.98E+05 2.83E+05 5.40E+05 5.62E+05 1.45E+05 4.60E+05 3.66E+05 3.60E+05 3.09E+05 4.79E+05 7.03E+05 5.86E+05 6.21E+05 3.81E+05 7.72E+05 7.43E+05 2.66E+05 4.15E+05 1.75E+05 1.80E+05 2.75E+05 2.04E+05 3.17E+05 9.35E+05 2.98E+05 3.09E+05 4.23E+05 2.36E+05 2.73E+05 2.69E+05 4.87E+05 4.91E+05 2.46E+05 2.71E+05 1.54E+05 1.42E+05 3.59E+05 6.24E+05 9.68E+04 3.08E+05 1.76E+05 4.76E+05 6.90E+05 5.26E+05 7.33E+05 9.71E+05 2.99E+05 5.68E+05 9.78E+05 1.37E+06 8.31E+05 1.50E+05 Succite 1.04E+06 5.91E+05 7.48E+05 1.06E+06 2.07E+05 2.97E+05 2.74E+05 2.63E+05 4.12E+05 9.68E+05 4.79E+05 3.62E+05 4.21E+05 4.24E+05 2.37E+05 7.91E+05 9.15E+05 3.84E+05 7.59E+05 6.92E+05 5.29E+05 6.15E+05 1.14E+06 1.25E+06 1.23E+06 1.12E+06 5.27E+05 6.78E+05 9.00E+05 8.96E+05 3.84E+05 5.61E+05 2.74E+05 3.78E+05 2.94E+05 3.81E+05 1.16E+06 4.57E+05 3.93E+05 1.47E+06 4.56E+05 4.32E+05 7.08E+05 1.18E+06 1.07E+06 6.19E+05 1.13E+06 4.19E+05 3.60E+05 5.44E+05 1.03E+06 5.01E+05 5.00E+05 1.68E+06 1.06E+06 1.35E+06 1.50E+06 1.55E+06 9.60E+05 1.11E+06 1.00E+06 7.10E+05 7.08E+05 9.61E+05 3.55E+05 Fumarate 1.26E+05 4.98E+04 9.42E+04 1.87E+05 3.42E+04 4.03E+04 3.02E+04 4.52E+04 7.20E+04 2.18E+05 5.08E+04 3.08E+04 4.65E+04 4.62E+04 4.39E+04 1.35E+05 1.12E+05 4.00E+04 8.30E+04 8.34E+04 5.92E+04 3.10E+04 1.48E+05 1.80E+05 1.50E+05 1.52E+05 3.91E+04 6.02E+04 1.57E+05 6.79E+04 5.37E+04 3.15E+04 3.85E+04 1.80E+04 3.28E+04 4.35E+04 2.48E+05 5.48E+04 7.24E+04 2.06E+05 6.72E+04 3.84E+04 7.48E+04 2.21E+05 1.91E+05 6.45E+04 1.64E+05 4.80E+04 4.95E+04 6.25E+04 1.40E+05 5.31E+04 7.00E+04 1.53E+05 2.25E+05 2.20E+05 1.70E+05 1.52E+05 1.75E+05 1.86E+05 1.14E+05 9.28E+04 7.92E+04 2.82E+05 1.75E+04 Malate 1.35E+06 6.74E+05 1.11E+06 1.64E+06 3.45E+05 3.68E+05 2.32E+05 2.87E+05 5.67E+05 3.00E+06 5.15E+05 2.28E+05 3.93E+05 4.60E+05 2.60E+05 1.31E+06 1.81E+06 1.99E+05 7.90E+05 6.80E+05 3.64E+05 4.58E+05 1.47E+06 1.62E+06 1.79E+06 2.09E+06 4.38E+05 6.82E+05 1.36E+06 4.43E+05 4.03E+05 3.00E+05 2.58E+05 2.91E+05 3.67E+05 4.18E+05 2.91E+06 4.78E+05 7.96E+05 2.76E+06 6.32E+05 5.55E+05 6.30E+05 2.96E+06 2.34E+06 4.56E+05 1.79E+06 4.52E+05 2.83E+05 7.56E+05 1.48E+06 3.00E+05 6.29E+05 2.45E+06 2.51E+06 2.56E+06 2.82E+06 1.77E+06 3.16E+06 1.88E+06 1.58E+06 8.31E+05 6.53E+05 3.06E+06 3.51E+05 2-Hydroxyglutarate 5.79E+05 3.37E+05 3.92E+05 5.55E+05 9.11E+04 1.12E+05 7.38E+04 7.22E+04 1.90E+05 8.21E+05 1.57E+05 7.86E+04 1.00E+05 1.12E+05 7.51E+04 5.58E+05 5.55E+05 7.27E+04 2.42E+05 1.45E+05 9.68E+04 1.85E+05 6.24E+05 5.04E+05 4.17E+05 5.87E+05 1.56E+05 1.71E+05 4.19E+05 1.10E+05 6.63E+04 7.13E+04 7.41E+04 6.65E+04 9.89E+04 1.25E+05 7.28E+05 1.17E+05 2.17E+05 5.42E+05 1.37E+05 1.23E+05 1.13E+05 5.95E+05 8.39E+05 1.31E+05 5.30E+05 1.16E+05 1.60E+05 1.87E+05 4.96E+05 1.13E+05 1.29E+05 7.80E+05 5.08E+05 6.72E+05 5.20E+05 5.66E+05 9.20E+05 7.79E+05 5.77E+05 1.38E+05 1.36E+05 6.21E+05 8.85E+04 Itacote 8.01E+05 5.99E+05 6.23E+05 1.00E+06 1.65E+05 2.51E+05 1.53E+05 1.38E+05 2.84E+05 1.37E+06 2.31E+05 1.34E+05 2.42E+05 1.43E+05 1.19E+05 9.28E+05 9.94E+05 8.25E+04 4.47E+05 3.82E+05 1.44E+05 1.67E+05 9.64E+05 9.32E+05 9.17E+05 9.40E+05 2.90E+05 2.41E+05 6.92E+05 1.87E+05 1.10E+05 1.25E+05 1.25E+05 1.44E+05 1.53E+05 2.44E+05 1.41E+06 2.37E+05 4.03E+05 6.86E+05 2.43E+05 2.17E+05 1.84E+05 7.34E+05 1.66E+06 1.93E+05 7.15E+05 1.92E+05 1.85E+05 2.89E+05 7.00E+05 1.26E+05 3.29E+05 1.20E+06 8.78E+05 1.09E+06 9.05E+05 1.07E+06 1.24E+06 1.17E+06 9.42E+05 2.83E+05 2.01E+05 9.49E+05 1.42E+05 Ascorbate 2.84E+05 5.91E+04 1.49E+05 3.98E+05 5.06E+04 2.41E+04 6.53E+04 4.52E+04 6.34E+04 1.16E+05 1.36E+05 1.89E+04 4.18E+04 1.05E+05 3.26E+04 1.19E+05 1.18E+05 2.25E+04 7.39E+04 2.68E+04 2.68E+04 3.39E+04 2.00E+05 2.44E+05 3.13E+04 3.71E+05 1.26E+05 2.91E+05 1.51E+05 6.94E+04 3.13E+04 2.41E+04 1.47E+04 2.02E+04 6.58E+04 4.30E+04 1.67E+05 1.18E+05 8.81E+04 1.48E+05 2.53E+04 1.06E+05 7.24E+04 9.18E+04 4.12E+05 1.31E+05 1.32E+05 9.85E+04 4.23E+04 8.09E+04 4.28E+05 3.13E+04 7.74E+04 2.37E+05 1.51E+05 1.37E+05 1.60E+05 3.01E+05 2.24E+05 1.38E+05 2.92E+05 2.94E+05 1.16E+05 6.58E+05 2.16E+04 Dehydroascorbate 1.16E+06 9.17E+05 9.14E+05 1.33E+06 2.85E+05 3.54E+05 2.89E+05 2.22E+05 4.23E+05 2.00E+06 4.11E+05 2.14E+05 3.33E+05 2.36E+05 7.45E+04 1.37E+06 1.27E+06 1.68E+05 6.50E+05 4.91E+05 1.07E+05 2.20E+05 1.15E+06 1.30E+06 1.35E+06 1.33E+06 5.10E+05 3.79E+05 9.32E+05 2.29E+05 1.38E+05 1.79E+05 1.69E+05 6.35E+04 2.08E+05 2.67E+05 2.16E+06 3.97E+05 5.99E+05 1.08E+06 5.32E+05 3.13E+05 2.67E+05 1.32E+06 2.32E+06 2.37E+05 1.14E+06 2.29E+05 3.11E+05 4.67E+05 1.07E+06 2.02E+05 5.67E+05 1.64E+06 1.32E+06 1.54E+06 1.23E+06 1.34E+06 1.60E+06 1.77E+06 1.50E+06 5.64E+05 3.12E+05 1.06E+06 2.27E+05 Propiote 1.45E+05 1.15E+05 1.36E+05 1.52E+05 8.67E+04 9.62E+04 5.69E+04 9.13E+04 8.09E+04 1.88E+05 1.07E+05 1.01E+05 1.12E+05 1.01E+05 1.16E+05 1.95E+05 1.77E+05 7.46E+04 1.72E+05 1.17E+05 1.09E+05 1.42E+05 1.91E+05 2.06E+05 2.10E+05 1.35E+05 1.21E+05 1.41E+05 2.23E+05 1.43E+05 9.57E+04 9.96E+04 1.22E+05 1.01E+05 5.47E+04 8.79E+04 2.89E+05 1.99E+05 1.36E+05 1.91E+05 9.06E+04 1.59E+05 1.40E+05 2.16E+05 2.23E+05 1.85E+05 1.96E+05 9.77E+04 9.89E+04 1.20E+05 2.12E+05 1.17E+05 1.24E+05 3.37E+05 1.94E+05 2.38E+05 2.05E+05 1.79E+05 2.87E+05 2.62E+05 2.59E+05 1.11E+05 2.29E+05 2.41E+05 1.23E+05 N-Acetylneuramite 2.33E+05 7.93E+04 1.22E+05 1.40E+05 5.47E+04 6.54E+04 4.79E+04 4.08E+04 6.72E+04 2.76E+05 6.17E+04 5.25E+04 5.64E+04 6.49E+04 2.91E+04 9.00E+04 1.31E+05 3.23E+04 1.10E+05 5.39E+04 4.61E+04 1.00E+05 7.87E+04 1.27E+05 1.33E+05 1.52E+05 6.67E+04 5.43E+04 1.19E+05 4.19E+04 3.92E+04 4.18E+04 4.75E+04 5.16E+04 4.17E+04 7.00E+04 2.26E+05 5.11E+04 6.79E+04 3.03E+05 8.42E+04 1.13E+05 1.55E+05 3.02E+05 6.59E+05 4.77E+04 3.78E+05 4.44E+04 1.48E+05 1.33E+05 9.85E+04 1.38E+05 9.83E+04 3.98E+05 1.81E+05 3.12E+05 1.78E+05 1.87E+05 2.00E+05 4.74E+05 2.77E+05 4.07E+04 1.46E+05 2.00E+05 4.78E+04 D-Glucorote 1.63E+05 1.44E+05 2.78E+05 3.55E+05 8.48E+04 8.84E+04 7.44E+04 6.69E+04 9.89E+04 6.01E+05 1.19E+05 8.07E+04 9.42E+04 5.75E+04 6.05E+04 1.91E+05 2.83E+05 3.79E+04 1.79E+05 8.98E+04 5.06E+04 9.59E+04 1.60E+05 3.23E+05 1.84E+05 2.67E+05 1.53E+05 1.64E+05 2.75E+05 7.05E+04 8.30E+04 4.27E+04 8.59E+04 9.26E+04 6.97E+04 1.73E+05 5.09E+05 1.19E+05 1.42E+05 2.49E+05 1.48E+05 2.57E+05 8.49E+04 3.42E+05 2.39E+06 8.61E+04 2.38E+05 8.98E+04 3.61E+05 3.92E+05 2.59E+05 1.08E+05 1.18E+05 5.72E+05 3.33E+05 5.38E+05 2.56E+05 3.82E+05 1.95E+05 8.42E+05 3.13E+05 9.28E+04 2.15E+05 2.57E+05 7.42E+04 1-4-beta-D-Xylan 7.66E+05 8.81E+05 1.01E+06 8.49E+05 4.71E+05 5.59E+05 3.54E+05 5.67E+05 6.47E+05 7.40E+05 5.77E+05 4.64E+05 4.20E+05 4.61E+05 5.55E+05 1.04E+06 9.30E+05 3.27E+05 1.06E+06 6.22E+05 4.96E+05 5.70E+05 1.05E+06 9.60E+05 8.53E+05 9.71E+05 6.96E+05 5.97E+05 1.26E+06 3.82E+05 4.80E+05 4.82E+05 5.20E+05 4.76E+05 3.90E+05 5.92E+05 1.95E+06 1.46E+06 8.74E+05 6.12E+05 3.79E+05 1.24E+06 8.46E+05 8.04E+05 1.10E+06 1.44E+06 1.28E+06 4.90E+05 5.32E+05 6.80E+05 9.41E+05 4.13E+05 5.50E+05 2.56E+06 6.09E+05 1.19E+06 8.94E+05 7.63E+05 1.49E+06 1.38E+06 1.37E+06 5.69E+05 1.70E+06 5.93E+05 7.11E+05 Pantothenol 9.45E+04 5.98E+04 7.74E+04 7.86E+04 2.39E+04 5.73E+04 1.89E+04 3.49E+04 3.60E+04 1.20E+05 3.14E+04 3.31E+04 3.29E+04 2.89E+04 1.70E+04 7.23E+04 8.62E+04 1.62E+04 1.22E+05 5.15E+04 2.24E+04 3.47E+04 9.03E+04 6.10E+04 7.74E+04 1.31E+05 8.51E+04 2.80E+04 1.08E+05 2.37E+04 4.44E+04 1.84E+04 2.74E+04 2.59E+04 2.26E+04 2.72E+04 1.42E+05 2.99E+04 6.41E+04 1.65E+05 4.56E+04 5.29E+04 3.18E+04 1.41E+05 1.76E+05 2.79E+04 7.37E+04 3.22E+04 6.03E+04 2.82E+04 1.57E+05 2.82E+04 5.11E+04 1.36E+05 9.78E+04 1.34E+05 8.13E+04 2.34E+05 1.89E+05 2.50E+05 9.85E+04 3.37E+04 5.20E+04 1.35E+05 2.00E+04 Mercaptopyruvate 1.04E+05 1.37E+05 2.62E+04 7.72E+04 6.64E+03 7.28E+03 1.06E+04 7.39E+03 4.83E+03 4.99E+04 1.30E+04 8.83E+03 1.01E+04 7.17E+03 1.25E+04 1.63E+05 7.24E+04 9.15E+03 7.81E+03 4.96E+03 8.36E+03 8.23E+03 8.52E+04 7.94E+04 1.13E+05 1.01E+05 9.01E+03 1.24E+04 1.04E+05 1.26E+04 1.21E+04 1.22E+04 1.22E+04 1.04E+04 7.56E+03 6.07E+03 1.38E+05 7.48E+03 7.53E+03 2.18E+04 7.03E+03 7.29E+03 9.53E+03 7.13E+04 9.07E+04 1.37E+04 2.82E+04 7.96E+03 1.23E+04 1.13E+04 1.25E+05 1.15E+04 9.18E+03 1.35E+05 2.73E+04 8.05E+04 4.78E+04 5.98E+04 6.74E+04 1.30E+05 8.54E+04 1.18E+04 1.24E+04 5.84E+04 1.14E+04 Thiocysteine 0.00E+00 0.00E+00 4.94E+03 0.00E+00 4.24E+03 8.26E+03 1.57E+03 0.00E+00 1.83E+03 0.00E+00 9.96E+02 3.33E+03 7.47E+02 9.19E+03 5.45E+03 2.03E+04 0.00E+00 2.78E+03 1.74E+04 9.90E+03 1.07E+04 1.53E+03 0.00E+00 0.00E+00 1.21E+04 0.00E+00 3.24E+03 2.34E+03 0.00E+00 9.76E+03 5.62E+03 2.84E+03 5.16E+03 7.28E+03 1.97E+04 2.20E+04 2.71E+04 7.42E+03 8.53E+03 0.00E+00 1.03E+04 1.11E+04 3.25E+03 0.00E+00 0.00E+00 8.27E+02 0.00E+00 9.79E+02 2.58E+04 6.23E+03 0.00E+00 2.81E+03 4.95E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 9.84E+03 0.00E+00 2.87E+04 0.00E+00 4.79E+03 6.25E+03 0.00E+00 2.55E+03 Thiosulfate 1.03E+05 3.72E+04 5.65E+04 8.08E+04 1.06E+04 7.97E+03 1.28E+04 1.15E+04 1.37E+04 1.03E+05 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1.27E+04 0.00E+00 2.07E+04 7.73E+03 5.36E+04 0.00E+00 1.62E+04 0.00E+00 1.01E+05 1.01E+05 0.00E+00 3.47E+04 1.78E+04 2.58E+04 7.12E+04 2.09E+04 1.51E+04 1.33E+04 0.00E+00 1.93E+04 2.11E+04 1.17E+04 9.54E+04 3.15E+02 0.00E+00 9.94E+04 9.68E+03 5.95E+04 1.57E+04 2.07E+04 1.63E+05 3.31E+04 1.04E+05 1.25E+04 9.10E+03 1.88E+04 3.61E+04 0.00E+00 0.00E+00 7.29E+04 0.00E+00 5.84E+04 9.40E+04 7.24E+04 0.00E+00 0.00E+00 4.96E+04 3.63E+04 0.00E+00 0.00E+00 2.60E+05 (R)-S-Lactoylglutathione 3.82E+04 2.95E+04 3.77E+04 4.65E+04 7.35E+03 3.54E+03 1.79E+04 1.03E+03 8.83E+03 8.30E+04 0.00E+00 1.42E+04 9.43E+03 5.14E+03 9.04E+03 2.34E+04 9.67E+04 1.27E+03 0.00E+00 9.77E+03 0.00E+00 3.19E+03 2.94E+04 3.19E+04 2.97E+04 9.08E+04 5.24E+03 1.14E+04 2.82E+04 0.00E+00 1.44E+04 3.08E+03 8.50E+03 6.49E+03 7.08E+03 1.23E+04 9.34E+04 1.61E+04 1.66E+04 7.52E+04 3.48E+03 2.72E+04 1.10E+04 3.28E+04 4.29E+04 1.11E+04 2.86E+04 8.23E+03 1.17E+04 4.71E+03 5.08E+04 5.50E+03 2.94E+03 2.41E+04 7.24E+04 5.65E+04 9.87E+04 4.80E+04 9.62E+04 4.83E+04 1.37E+04 7.87E+03 5.12E+03 1.35E+05 4.87E+03 Indolepyruvate 0.00E+00 4.51E+04 2.16E+04 1.05E+05 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 9.48E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1.10E+05 7.51E+04 0.00E+00 2.03E+04 0.00E+00 2.23E+04 1.56E+04 6.44E+04 4.93E+04 6.08E+04 1.16E+05 3.76E+04 0.00E+00 9.54E+04 0.00E+00 4.07E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 8.51E+04 2.27E+04 0.00E+00 8.10E+04 0.00E+00 0.00E+00 0.00E+00 5.65E+04 7.51E+03 0.00E+00 3.11E+04 4.93E+04 2.32E+04 0.00E+00 2.27E+04 3.96E+04 0.00E+00 2.87E+04 6.93E+04 6.69E+04 3.72E+04 0.00E+00 7.69E+04 2.36E+04 2.93E+04 0.00E+00 0.00E+00 1.39E+05 0.00E+00 Picolinic acid 2.30E+04 1.58E+04 1.39E+04 2.05E+04 1.41E+04 7.39E+03 9.20E+03 1.72E+04 1.14E+04 6.63E+04 1.20E+04 1.34E+04 1.22E+04 0.00E+00 0.00E+00 1.62E+04 1.30E+04 1.99E+04 2.95E+04 1.74E+04 8.78E+03 1.62E+04 2.97E+04 3.32E+04 2.36E+04 1.85E+04 1.91E+04 1.57E+04 2.09E+04 1.31E+04 6.88E+03 1.43E+04 1.25E+04 7.58E+03 1.44E+04 2.02E+04 2.12E+04 1.73E+04 2.35E+04 1.39E+04 1.24E+04 2.61E+04 2.18E+04 1.32E+04 8.54E+04 1.76E+04 2.79E+04 1.21E+04 1.95E+04 6.99E+04 2.52E+04 0.00E+00 1.84E+04 3.97E+04 7.55E+04 3.54E+04 3.28E+04 3.00E+04 1.76E+04 7.27E+04 2.87E+04 1.52E+04 1.48E+04 1.58E+04 0.00E+00 sn-glycero-3-Phosphoethanolamine 1.19E+05 6.72E+04 5.39E+04 4.44E+04 3.38E+04 3.25E+04 1.73E+04 1.74E+04 8.32E+04 1.37E+05 2.98E+04 1.61E+04 2.74E+04 3.31E+04 3.80E+04 4.46E+04 6.87E+04 2.20E+04 4.80E+04 3.67E+04 1.82E+04 3.08E+04 3.44E+04 6.62E+04 7.27E+04 1.38E+05 3.56E+04 3.90E+04 8.44E+04 1.16E+04 1.49E+04 1.77E+04 2.23E+04 3.77E+04 3.19E+04 3.42E+04 1.20E+05 3.72E+04 4.89E+04 1.87E+05 7.69E+04 9.40E+04 9.41E+04 1.97E+05 9.58E+04 4.84E+04 1.72E+05 3.49E+04 2.70E+04 5.76E+04 1.35E+05 6.21E+04 4.89E+04 2.64E+05 9.23E+04 1.91E+05 6.31E+04 9.05E+04 1.71E+05 2.42E+05 1.17E+05 2.26E+04 1.21E+05 6.79E+04 3.06E+04 Glycerol 3-phosphate 1.15E+04 3.81E+04 6.75E+04 1.32E+05 1.06E+04 1.50E+04 1.22E+04 4.00E+03 1.87E+04 7.56E+04 1.07E+04 1.40E+04 2.48E+04 1.70E+04 1.63E+04 8.26E+04 1.18E+05 7.38E+03 4.92E+04 9.17E+04 3.09E+04 1.66E+04 9.80E+04 8.22E+04 1.02E+05 6.66E+04 1.89E+04 2.23E+04 9.40E+04 2.01E+04 2.26E+04 1.18E+04 6.16E+03 1.25E+04 1.43E+04 2.65E+04 4.47E+02 7.38E+03 3.03E+04 8.02E+04 3.40E+04 1.92E+04 3.10E+04 2.14E+05 2.82E+03 1.47E+04 4.83E+04 1.30E+04 8.11E+03 1.96E+04 1.06E+05 2.89E+04 4.85E+04 2.17E+04 6.59E+05 3.26E+04 9.86E+03 5.13E+04 4.78E+04 2.52E+04 7.09E+03 1.17E+04 3.53E+04 4.33E+04 1.04E+04 Phosphoethanolamine 6.52E+05 1.35E+05 1.30E+05 6.00E+04 8.20E+04 3.26E+04 1.75E+04 1.51E+04 8.30E+04 1.37E+05 4.75E+04 3.20E+04 4.22E+04 8.81E+04 3.33E+04 9.39E+04 1.15E+05 3.19E+04 8.52E+04 3.13E+04 2.92E+04 4.45E+04 1.24E+05 9.93E+04 1.36E+05 1.38E+05 2.14E+04 6.59E+04 8.79E+04 3.80E+04 9.95E+03 1.64E+04 3.32E+03 4.06E+04 8.13E+04 3.11E+04 2.96E+05 3.87E+04 6.94E+04 3.98E+05 1.72E+05 1.43E+05 2.03E+05 7.00E+05 2.22E+05 7.11E+04 1.07E+06 7.08E+04 3.53E+04 7.47E+04 1.61E+05 1.61E+05 8.33E+04 7.61E+05 3.19E+05 4.62E+05 2.97E+05 2.10E+05 1.96E+05 8.74E+05 2.83E+05 0.00E+00 7.92E+04 2.54E+05 1.70E+04 Acetoacetate 4.29E+06 4.48E+06 5.03E+06 4.74E+06 2.77E+06 2.98E+06 1.92E+06 3.05E+06 3.08E+06 3.80E+06 3.20E+06 2.59E+06 2.86E+06 2.70E+06 3.04E+06 5.10E+06 5.20E+06 1.86E+06 5.40E+06 3.48E+06 2.69E+06 3.22E+06 5.49E+06 4.70E+06 5.00E+06 5.92E+06 3.48E+06 3.79E+06 7.02E+06 2.09E+06 2.64E+06 2.71E+06 2.94E+06 2.55E+06 2.22E+06 2.67E+06 9.78E+06 6.89E+06 4.81E+06 3.38E+06 2.20E+06 5.62E+06 4.35E+06 4.53E+06 5.70E+06 7.21E+06 6.64E+06 2.70E+06 2.80E+06 3.49E+06 5.17E+06 2.32E+06 3.08E+06 1.25E+07 3.08E+06 6.04E+06 4.53E+06 4.28E+06 8.14E+06 7.46E+06 6.77E+06 2.85E+06 7.96E+06 3.75E+06 3.49E+06 Beta Hydroxybutyrate 3.06E+06 3.09E+06 3.50E+06 5.87E+06 2.02E+06 2.09E+06 5.46E+05 1.25E+06 1.03E+06 2.76E+06 1.34E+06 9.02E+05 2.95E+06 1.46E+06 1.07E+06 4.19E+06 4.02E+06 2.94E+06 2.87E+06 1.59E+06 1.38E+06 1.98E+06 3.91E+06 3.60E+06 6.05E+06 8.37E+06 5.46E+06 2.46E+06 4.91E+06 2.95E+06 2.12E+06 1.76E+06 2.90E+06 1.50E+06 1.47E+06 1.77E+06 8.97E+06 2.59E+06 2.93E+06 6.45E+06 1.21E+06 1.07E+06 1.99E+06 7.55E+06 4.46E+06 1.45E+06 6.22E+06 1.22E+06 6.69E+05 2.60E+06 4.68E+06 2.18E+06 2.51E+06 2.01E+07 5.76E+06 3.82E+06 3.75E+06 6.93E+06 8.42E+06 1.70E+07 4.84E+06 1.71E+06 8.11E+06 6.37E+06 2.87E+06 Octanoic acid (caprylate) 9.35E+05 4.02E+05 1.02E+06 1.24E+06 3.87E+05 4.98E+05 5.13E+05 7.34E+05 6.16E+05 1.48E+06 7.91E+05 7.85E+05 9.74E+05 7.58E+05 8.20E+05 1.39E+06 2.65E+06 9.19E+05 1.13E+06 1.20E+06 9.14E+05 1.04E+06 2.32E+06 4.32E+06 2.16E+06 1.86E+06 9.03E+05 8.97E+05 2.07E+06 1.06E+06 9.59E+05 1.27E+06 9.96E+05 1.01E+06 6.94E+05 6.41E+05 1.53E+06 6.84E+05 8.79E+05 1.76E+06 6.95E+05 7.72E+05 8.09E+05 1.70E+06 1.77E+06 8.64E+05 1.09E+06 1.03E+06 7.25E+05 9.26E+05 1.55E+06 1.03E+06 1.05E+06 2.33E+06 2.57E+06 8.98E+06 1.80E+06 2.17E+06 2.18E+06 1.87E+06 2.09E+06 9.57E+05 1.02E+06 2.32E+06 8.51E+05 Decanoic acid (caprate) 8.96E+06 7.75E+06 6.15E+06 8.31E+06 3.19E+06 2.16E+06 2.60E+06 3.12E+06 2.25E+06 6.76E+06 1.45E+06 1.61E+06 1.96E+06 2.22E+06 1.83E+06 6.66E+06 7.27E+06 1.46E+06 4.25E+06 2.20E+06 2.04E+06 2.63E+06 6.13E+06 7.76E+06 5.09E+06 5.39E+06 1.77E+06 1.40E+06 8.99E+06 1.69E+06 1.56E+06 2.09E+06 1.33E+06 1.50E+06 2.30E+06 1.61E+06 7.60E+06 1.81E+06 2.56E+06 6.64E+06 1.53E+06 1.56E+06 2.63E+06 8.37E+06 1.16E+07 2.03E+06 3.31E+06 1.63E+06 1.31E+06 1.96E+06 6.04E+06 1.25E+06 2.58E+06 7.81E+06 5.89E+06 2.61E+07 6.73E+06 6.35E+06 4.65E+06 5.00E+06 6.48E+06 1.26E+06 1.80E+06 7.27E+06 1.36E+06 Dodecanoic acid 4.40E+06 4.29E+06 5.27E+06 4.79E+06 2.95E+06 2.54E+06 2.48E+06 3.59E+06 3.23E+06 4.97E+06 3.59E+06 2.28E+06 4.95E+06 4.04E+06 2.39E+06 6.66E+06 7.68E+06 2.19E+06 5.45E+06 2.71E+06 2.52E+06 5.17E+06 1.88E+07 2.95E+07 8.01E+06 1.26E+07 3.60E+06 2.37E+06 4.97E+06 2.93E+06 1.66E+06 2.80E+06 2.45E+06 6.51E+06 2.46E+06 2.25E+06 1.15E+07 3.53E+06 2.95E+06 5.72E+06 3.21E+06 2.51E+06 5.83E+06 7.15E+06 4.97E+06 3.40E+06 4.03E+06 2.22E+06 1.79E+06 3.46E+06 5.02E+06 2.05E+06 2.28E+06 1.48E+07 4.82E+06 1.13E+08 7.66E+06 1.13E+07 1.12E+07 6.19E+06 9.29E+06 2.28E+06 6.57E+06 6.31E+06 2.25E+06 Tetradecanoic acid 9.92E+06 8.77E+06 9.58E+06 2.47E+07 4.82E+06 4.57E+06 3.10E+06 8.52E+06 6.29E+06 1.65E+07 6.07E+06 3.99E+06 6.58E+06 9.78E+06 2.98E+06 2.41E+07 2.21E+07 4.08E+06 1.50E+07 6.52E+06 6.27E+06 8.32E+06 2.64E+07 3.28E+07 2.84E+07 2.23E+07 6.53E+06 3.73E+06 1.59E+07 7.30E+06 4.36E+06 4.50E+06 5.68E+06 1.56E+07 5.50E+06 3.75E+06 3.08E+07 6.37E+06 6.67E+06 1.09E+07 7.55E+06 4.31E+06 8.91E+06 2.88E+07 1.83E+07 4.77E+06 1.18E+07 3.98E+06 2.07E+06 9.51E+06 2.17E+07 3.87E+06 4.17E+06 2.65E+07 1.28E+07 6.70E+07 1.80E+07 3.06E+07 3.02E+07 2.29E+07 1.99E+07 3.88E+06 9.16E+06 2.02E+07 4.58E+06 Hexadecanoic acid 6.38E+07 8.77E+07 8.62E+07 2.12E+08 4.97E+07 4.61E+07 2.82E+07 5.70E+07 5.80E+07 1.58E+08 6.08E+07 3.99E+07 7.76E+07 7.03E+07 2.59E+07 2.02E+08 1.16E+08 4.28E+07 8.84E+07 8.16E+07 6.01E+07 5.75E+07 1.78E+08 1.54E+08 2.22E+08 1.79E+08 7.91E+07 4.06E+07 1.71E+08 5.90E+07 4.77E+07 4.36E+07 6.31E+07 6.21E+07 5.96E+07 4.42E+07 2.31E+08 7.98E+07 6.39E+07 1.31E+08 7.39E+07 5.32E+07 7.61E+07 2.26E+08 1.75E+08 4.41E+07 1.32E+08 4.74E+07 2.30E+07 8.19E+07 1.86E+08 5.09E+07 6.05E+07 2.55E+08 1.38E+08 2.03E+08 1.59E+08 1.90E+08 2.19E+08 2.14E+08 1.92E+08 4.82E+07 1.05E+08 1.67E+08 5.12E+07 Octadecanoic acid 3.12E+07 2.19E+07 2.25E+07 4.58E+07 8.30E+06 8.94E+06 9.86E+06 1.16E+07 1.08E+07 4.96E+07 1.40E+07 8.29E+06 1.81E+07 1.38E+07 8.73E+06 7.35E+07 4.62E+07 1.09E+07 2.48E+07 1.97E+07 1.56E+07 1.32E+07 5.12E+07 5.67E+07 6.21E+07 5.98E+07 1.94E+07 1.32E+07 5.92E+07 1.51E+07 1.64E+07 1.36E+07 1.75E+07 1.23E+07 1.07E+07 1.24E+07 5.34E+07 1.57E+07 1.98E+07 3.79E+07 1.68E+07 1.15E+07 1.42E+07 6.05E+07 5.70E+07 1.11E+07 3.24E+07 1.21E+07 4.82E+06 1.62E+07 5.69E+07 1.15E+07 1.39E+07 7.66E+07 5.22E+07 6.69E+07 5.34E+07 5.42E+07 6.04E+07 6.24E+07 4.87E+07 1.50E+07 2.45E+07 6.60E+07 1.16E+07 Tetradecenoic acid 1.26E+06 1.15E+06 3.26E+06 3.17E+06 7.39E+05 6.89E+05 1.56E+05 9.66E+05 9.83E+05 7.87E+05 6.59E+05 3.66E+05 1.02E+06 8.14E+05 2.31E+05 1.88E+06 1.58E+06 5.34E+05 2.50E+06 5.33E+05 7.69E+05 8.51E+05 3.53E+06 2.67E+06 3.03E+06 1.61E+06 1.14E+06 2.38E+05 1.22E+06 7.53E+05 1.72E+05 1.22E+06 6.11E+05 1.09E+06 6.76E+05 1.86E+05 2.04E+06 7.03E+05 3.89E+05 1.02E+06 4.32E+05 3.73E+05 6.88E+05 1.98E+06 1.48E+06 5.30E+05 2.51E+06 3.59E+05 1.23E+05 1.11E+06 1.50E+06 2.82E+05 2.30E+05 3.39E+06 6.52E+05 2.72E+06 1.38E+06 2.86E+06 2.14E+06 3.49E+06 1.48E+06 2.47E+05 5.06E+05 1.98E+06 3.70E+05 Hexadecenoic acid 1.18E+07 2.06E+07 2.08E+07 4.07E+07 1.36E+07 1.34E+07 1.44E+06 9.70E+06 1.20E+07 1.50E+07 1.05E+07 3.96E+06 1.03E+07 1.13E+07 2.09E+06 2.11E+07 9.51E+06 9.78E+06 3.07E+07 4.96E+06 1.27E+07 1.60E+07 3.35E+07 3.24E+07 4.12E+07 4.09E+07 1.10E+07 2.36E+06 2.04E+07 1.15E+07 3.83E+06 8.35E+06 8.54E+06 1.49E+07 1.08E+07 2.92E+06 3.87E+07 8.14E+06 4.29E+06 1.50E+07 6.70E+06 5.82E+06 7.75E+06 2.89E+07 2.37E+07 7.04E+06 2.10E+07 3.83E+06 1.74E+06 2.20E+07 3.76E+07 5.25E+06 3.70E+06 4.40E+07 1.99E+07 3.25E+07 2.70E+07 5.76E+07 2.97E+07 5.05E+07 2.92E+07 4.27E+06 1.17E+07 3.32E+07 6.59E+06 Octadecenoic acid 6.21E+07 8.90E+07 1.07E+08 2.65E+08 6.83E+07 6.67E+07 1.70E+07 5.31E+07 5.96E+07 1.24E+08 6.09E+07 3.08E+07 8.65E+07 7.21E+07 1.99E+07 1.33E+08 9.84E+07 4.51E+07 1.29E+08 7.03E+07 6.08E+07 6.77E+07 2.05E+08 1.63E+08 2.62E+08 1.99E+08 1.04E+08 3.67E+07 1.78E+08 6.41E+07 4.90E+07 4.38E+07 6.56E+07 6.70E+07 5.16E+07 3.13E+07 2.31E+08 9.16E+07 6.87E+07 1.19E+08 7.39E+07 4.58E+07 6.91E+07 2.09E+08 1.52E+08 4.88E+07 1.48E+08 3.54E+07 1.48E+07 8.83E+07 1.77E+08 4.31E+07 4.18E+07 2.31E+08 1.08E+08 1.72E+08 1.35E+08 2.15E+08 2.16E+08 3.08E+08 1.93E+08 3.44E+07 1.14E+08 1.69E+08 5.13E+07 Octadecadienoic acid 8.06E+07 6.49E+07 6.78E+07 2.29E+08 4.73E+07 5.07E+07 9.27E+06 4.59E+07 3.42E+07 8.42E+07 3.80E+07 2.93E+07 5.34E+07 4.68E+07 1.04E+07 9.31E+07 1.82E+08 1.94E+07 8.63E+07 4.69E+07 3.81E+07 3.51E+07 1.44E+08 1.43E+08 2.03E+08 1.10E+08 8.03E+07 4.13E+07 8.37E+07 4.52E+07 3.91E+07 4.06E+07 4.54E+07 6.39E+07 2.02E+07 2.93E+07 1.27E+08 3.83E+07 4.75E+07 7.16E+07 5.89E+07 2.94E+07 6.46E+07 2.95E+08 1.53E+08 2.27E+07 1.01E+08 1.89E+07 9.97E+06 4.42E+07 1.01E+08 2.24E+07 3.29E+07 2.05E+08 5.54E+07 1.29E+08 1.26E+08 2.63E+08 1.51E+08 2.83E+08 1.49E+08 3.29E+07 6.86E+07 1.90E+08 6.30E+07 Octadecatrienoic acid 5.62E+06 3.59E+06 3.96E+06 1.71E+07 2.77E+06 2.86E+06 4.13E+05 3.82E+06 2.16E+06 4.49E+06 3.17E+06 1.87E+06 4.75E+06 3.09E+06 4.92E+05 6.70E+06 1.45E+07 8.26E+05 6.25E+06 2.37E+06 2.51E+06 1.22E+06 1.83E+07 1.19E+07 1.87E+07 6.75E+06 7.23E+06 1.70E+06 5.51E+06 3.52E+06 2.42E+06 2.60E+06 2.73E+06 4.41E+06 8.92E+05 1.70E+06 7.25E+06 2.02E+06 1.92E+06 3.21E+06 3.73E+06 1.14E+06 4.87E+06 2.76E+07 1.04E+07 8.83E+05 5.37E+06 1.03E+06 3.57E+05 2.16E+06 7.33E+06 8.04E+05 1.14E+06 1.58E+07 2.09E+06 1.17E+07 1.07E+07 2.64E+07 1.20E+07 2.42E+07 1.11E+07 3.19E+06 4.41E+06 1.67E+07 4.68E+06 Eicosatetraenoic acid 7.43E+06 5.14E+06 5.70E+06 1.01E+07 2.74E+06 2.93E+06 1.01E+06 2.57E+06 2.00E+06 7.68E+06 2.71E+06 1.45E+06 3.26E+06 1.73E+06 7.92E+05 5.77E+06 5.33E+06 9.10E+05 2.76E+06 1.92E+06 1.76E+06 1.26E+06 8.28E+06 7.87E+06 1.15E+07 9.18E+06 1.97E+06 1.44E+06 5.48E+06 1.52E+06 1.99E+06 1.93E+06 2.15E+06 1.33E+06 1.47E+06 2.41E+06 9.03E+06 2.30E+06 2.24E+06 1.05E+07 3.00E+06 3.50E+06 3.81E+06 1.27E+07 1.17E+07 1.23E+06 5.63E+06 1.73E+06 8.16E+05 1.53E+06 8.53E+06 1.45E+06 1.27E+06 1.62E+07 7.21E+06 1.42E+07 8.89E+06 1.04E+07 1.38E+07 1.88E+07 1.07E+07 2.13E+06 5.53E+06 4.66E+06 1.53E+06 Eicosapentaenoic acid 3.29E+06 1.62E+06 1.81E+06 3.79E+06 5.66E+05 6.75E+05 4.11E+05 5.22E+05 4.83E+05 4.37E+06 6.97E+05 8.94E+05 8.66E+05 1.85E+05 3.70E+05 2.31E+06 3.25E+06 3.25E+05 2.37E+05 7.96E+05 3.64E+05 8.01E+05 2.74E+06 4.69E+06 4.42E+06 4.06E+06 6.81E+05 5.83E+05 3.45E+06 1.94E+05 1.21E+06 2.76E+05 9.11E+05 3.24E+05 2.78E+05 1.36E+06 3.25E+06 2.84E+06 6.57E+05 9.93E+06 6.88E+05 2.41E+06 1.10E+06 4.26E+06 1.56E+07 9.33E+05 5.02E+06 1.53E+06 2.48E+05 2.64E+06 1.35E+07 1.10E+06 6.42E+05 8.88E+06 7.89E+06 5.82E+06 3.98E+06 5.94E+06 2.67E+06 1.35E+07 6.03E+06 5.84E+05 4.48E+06 1.53E+06 6.63E+05 Docosahexaenoic acid 1.39E+07 8.17E+06 1.23E+07 1.87E+07 4.05E+06 4.40E+06 1.42E+06 2.97E+06 3.36E+06 1.01E+07 3.62E+06 3.06E+06 5.10E+06 1.98E+06 1.86E+06 1.35E+07 1.08E+07 1.37E+06 2.02E+06 3.67E+06 2.27E+06 2.88E+06 2.07E+07 1.23E+07 3.42E+07 1.70E+07 4.61E+06 2.84E+06 1.54E+07 1.91E+06 3.28E+06 2.10E+06 3.46E+06 2.27E+06 1.75E+06 3.87E+06 1.32E+07 5.99E+06 4.10E+06 2.80E+07 4.08E+06 5.36E+06 5.29E+06 1.74E+07 2.09E+07 2.68E+06 1.40E+07 4.84E+06 8.91E+05 4.69E+06 2.02E+07 3.01E+06 2.80E+06 2.95E+07 1.82E+07 1.93E+07 1.72E+07 2.31E+07 1.88E+07 3.55E+07 2.13E+07 3.87E+06 9.08E+06 1.21E+07 2.56E+06 Dodecanedioic acid 1.05E+05 3.86E+04 7.69E+04 5.35E+04 2.28E+04 2.79E+04 3.12E+04 2.46E+04 3.01E+04 4.83E+04 2.53E+04 2.63E+04 2.38E+04 2.27E+04 2.55E+04 3.94E+04 2.17E+05 2.85E+04 3.13E+04 2.53E+04 2.50E+04 3.04E+04 3.78E+04 1.71E+05 4.06E+04 5.59E+04 2.77E+04 2.75E+04 5.50E+04 2.30E+04 1.47E+04 1.84E+04 2.09E+04 1.85E+04 2.54E+04 2.29E+04 4.18E+04 2.22E+04 3.12E+04 6.40E+04 3.44E+04 2.86E+04 2.34E+04 4.64E+04 4.99E+04 3.07E+04 3.21E+04 2.36E+04 2.63E+04 2.90E+04 4.25E+04 3.14E+04 4.78E+04 4.36E+04 7.52E+04 9.62E+04 5.39E+04 5.49E+04 5.38E+04 5.06E+04 5.24E+04 2.47E+04 1.60E+04 4.41E+04 1.74E+04 (8Z-11Z-14Z)-Icosatrienoic acid 1.06E+06 1.09E+06 1.32E+06 1.49E+06 5.10E+05 6.18E+05 1.42E+05 5.63E+05 3.06E+05 1.85E+06 4.56E+05 3.59E+05 4.91E+05 4.50E+05 1.76E+05 1.55E+06 7.56E+05 1.94E+05 6.28E+05 5.28E+05 4.28E+05 3.05E+05 1.75E+06 1.61E+06 2.90E+06 1.34E+06 5.20E+05 3.52E+05 1.55E+06 2.97E+05 4.37E+05 4.35E+05 5.11E+05 3.42E+05 2.27E+05 4.15E+05 2.00E+06 4.29E+05 4.71E+05 1.95E+06 8.66E+05 4.46E+05 9.03E+05 3.18E+06 1.79E+06 2.04E+05 1.40E+06 2.83E+05 1.11E+05 3.28E+05 2.00E+06 3.09E+05 2.87E+05 3.06E+06 1.13E+06 3.01E+06 1.73E+06 2.53E+06 3.03E+06 3.61E+06 2.17E+06 3.98E+05 7.51E+05 1.13E+06 3.86E+05 (7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid 2.09E+06 1.66E+06 2.38E+06 4.36E+06 9.33E+05 9.25E+05 2.41E+05 8.97E+05 4.60E+05 2.05E+06 6.72E+05 4.94E+05 7.90E+05 4.28E+05 2.53E+05 2.59E+06 1.63E+06 3.90E+05 5.81E+05 7.18E+05 5.49E+05 5.42E+05 2.55E+06 3.01E+06 5.38E+06 3.21E+06 9.52E+05 4.05E+05 2.95E+06 4.12E+05 1.02E+06 5.28E+05 8.81E+05 4.44E+05 3.87E+05 9.16E+05 3.57E+06 1.68E+06 6.90E+05 3.71E+06 9.03E+05 8.29E+05 9.48E+05 3.80E+06 4.36E+06 4.23E+05 3.69E+06 7.24E+05 9.19E+04 1.00E+06 5.58E+06 9.65E+05 4.89E+05 6.42E+06 3.54E+06 2.77E+06 2.72E+06 4.38E+06 3.25E+06 7.66E+06 3.89E+06 4.95E+05 2.21E+06 2.04E+06 7.12E+05 3alpha-7alpha-12alpha-Trihydroxy-5beta-cholate 9.12E+05 1.33E+05 7.59E+04 2.24E+04 4.29E+03 1.97E+04 8.24E+03 1.88E+04 2.68E+04 6.57E+05 9.35E+03 7.75E+03 2.00E+04 6.09E+03 1.82E+05 2.14E+05 1.16E+05 1.83E+03 3.86E+04 1.15E+04 1.39E+04 1.22E+05 1.60E+05 7.33E+04 6.53E+04 1.65E+05 6.57E+03 2.09E+04 4.18E+04 1.31E+04 9.22E+03 2.98E+03 1.81E+04 4.07E+03 6.33E+03 5.08E+03 2.81E+04 2.89E+04 3.00E+04 6.15E+05 8.99E+04 7.06E+03 6.12E+03 2.13E+05 1.51E+05 5.62E+03 2.52E+05 8.14E+03 4.27E+03 1.38E+05 2.50E+04 2.84E+03 9.94E+03 6.73E+04 5.17E+04 2.24E+05 2.81E+04 4.96E+04 3.72E+05 2.43E+05 3.34E+04 1.95E+05 2.80E+05 4.01E+05 4.20E+03 Glycocholate 2.94E+05 1.77E+05 1.15E+05 1.88E+05 2.46E+04 6.12E+04 1.22E+05 1.75E+04 1.07E+05 1.08E+06 9.70E+04 1.05E+04 2.47E+04 7.93E+04 4.33E+04 1.95E+04 4.30E+06 2.58E+03 9.22E+03 2.88E+04 1.40E+04 5.71E+04 7.80E+04 1.62E+05 1.94E+05 6.26E+04 3.42E+03 6.02E+04 7.72E+04 3.18E+04 8.90E+04 1.20E+04 2.58E+04 1.25E+04 3.81E+03 4.68E+03 8.06E+05 1.47E+04 2.80E+04 1.10E+05 1.02E+04 8.22E+04 1.98E+04 4.08E+04 1.91E+05 2.01E+04 3.86E+04 5.06E+03 1.08E+04 1.86E+05 1.63E+04 1.47E+04 3.49E+04 2.63E+04 5.06E+05 4.27E+06 4.61E+04 1.99E+04 3.60E+05 3.48E+04 2.90E+04 5.17E+04 6.28E+04 1.86E+05 4.33E+03 Taurocholate 1.32E+04 2.90E+04 3.37E+04 2.27E+04 2.73E+03 4.82E+03 3.91E+04 2.78E+03 5.87E+03 6.63E+04 1.64E+04 1.62E+03 6.34E+02 8.93E+03 2.24E+03 6.95E+02 6.50E+05 0.00E+00 4.85E+03 6.07E+03 8.25E+02 6.97E+03 5.06E+03 1.72E+04 1.54E+04 3.09E+03 3.66E+03 1.21E+04 1.06E+04 6.52E+03 1.41E+04 6.96E+02 1.87E+03 1.43E+03 4.64E+02 0.00E+00 1.59E+05 9.12E+02 3.24E+03 4.87E+03 0.00E+00 1.66E+04 4.75E+03 0.00E+00 2.51E+04 4.72E+03 1.49E+03 0.00E+00 9.69E+03 3.44E+04 1.20E+03 1.16E+04 3.30E+03 1.99E+03 6.89E+04 1.01E+06 3.72E+03 2.25E+03 3.27E+04 6.13E+03 4.40E+03 1.17E+04 5.50E+03 2.22E+03 0.00E+00 Taurochenodeoxycholate/Tauroursodeoxycholate 7.05E+04 1.64E+05 3.45E+05 1.19E+05 9.95E+03 1.85E+04 6.39E+04 1.03E+03 1.50E+04 5.33E+05 6.43E+04 5.16E+03 6.31E+03 4.99E+04 6.71E+03 4.82E+03 1.39E+06 0.00E+00 1.21E+05 2.63E+04 2.51E+03 4.29E+03 2.75E+04 9.25E+04 6.28E+04 4.90E+04 1.64E+04 5.48E+04 1.94E+04 2.20E+04 1.78E+04 2.87E+03 3.66E+03 5.01E+03 1.16E+03 3.20E+03 6.45E+05 1.88E+04 9.85E+03 5.76E+04 2.46E+03 2.43E+04 1.42E+04 5.63E+03 1.35E+05 6.45E+03 1.91E+04 1.34E+03 2.09E+04 9.74E+04 4.33E+03 2.72E+03 2.82E+04 1.92E+04 2.57E+05 9.78E+05 4.16E+04 1.92E+04 2.31E+05 5.06E+04 4.02E+04 5.99E+04 3.15E+04 2.36E+04 8.57E+02 Glycodeoxycholate/Glychenodeoxycholate 1.47E+06 1.74E+06 1.00E+06 9.28E+05 8.06E+04 2.94E+05 1.85E+05 2.04E+04 2.09E+05 5.11E+06 5.63E+05 2.57E+04 1.16E+05 3.09E+05 1.35E+05 1.72E+05 8.08E+06 1.02E+04 2.53E+05 1.54E+05 4.96E+04 6.15E+04 3.99E+05 6.42E+05 9.47E+05 4.25E+05 1.19E+04 3.05E+05 2.27E+05 1.59E+05 1.38E+05 4.83E+04 6.01E+04 3.56E+04 1.26E+04 2.70E+04 2.12E+06 1.22E+05 1.53E+05 8.82E+05 6.72E+04 1.35E+05 1.05E+05 1.51E+05 5.45E+05 4.71E+04 1.33E+05 5.06E+04 3.68E+04 3.98E+05 7.51E+04 1.42E+04 4.41E+05 2.18E+05 1.71E+06 4.34E+06 2.88E+05 2.22E+05 2.04E+06 2.13E+05 2.72E+05 1.73E+05 3.76E+05 1.06E+06 1.44E+04 Allochenodeoxycholate 5.05E+05 1.32E+05 1.51E+05 5.36E+04 5.38E+04 7.41E+04 5.48E+04 4.71E+04 9.08E+04 6.20E+05 3.71E+04 3.85E+04 6.96E+04 5.43E+04 1.17E+05 2.15E+05 1.43E+05 3.06E+04 6.80E+04 3.80E+04 3.30E+04 5.01E+04 8.67E+04 2.05E+05 5.09E+04 4.25E+05 0.00E+00 0.00E+00 2.34E+05 2.21E+04 0.00E+00 2.30E+04 2.60E+04 7.19E+04 4.90E+04 9.00E+04 6.49E+04 9.70E+04 5.08E+04 5.96E+05 1.46E+05 4.27E+04 4.22E+04 2.89E+05 1.20E+05 3.64E+04 2.20E+05 3.62E+04 3.30E+04 1.60E+05 5.51E+04 2.96E+04 7.74E+04 4.53E+05 4.02E+05 3.49E+05 1.03E+05 4.68E+05 1.61E+06 1.98E+05 2.42E+05 1.96E+05 2.92E+05 1.93E+05 1.81E+04 HODE 2.57E+05 1.27E+05 1.48E+05 1.79E+05 5.16E+04 3.96E+04 2.15E+04 3.81E+04 6.86E+04 2.72E+05 3.97E+04 2.93E+04 4.92E+04 3.50E+04 1.79E+04 5.31E+04 1.04E+06 2.11E+04 7.01E+04 3.49E+04 2.08E+04 3.14E+04 7.88E+04 1.10E+05 1.98E+05 7.56E+04 4.46E+04 5.50E+04 5.95E+04 3.55E+04 2.35E+04 4.64E+04 2.92E+04 7.05E+04 2.94E+04 3.09E+04 1.73E+05 4.29E+04 9.68E+04 1.89E+05 7.45E+04 1.13E+05 5.84E+04 2.20E+05 2.20E+05 3.46E+04 1.02E+05 2.66E+04 4.92E+04 5.48E+04 1.56E+05 2.72E+04 4.52E+04 1.27E+05 1.14E+05 7.37E+05 4.12E+05 5.06E+05 4.28E+05 6.99E+05 2.66E+05 2.10E+04 1.21E+05 1.14E+05 7.36E+04 HETE 6.55E+04 5.07E+04 3.82E+04 2.75E+04 2.88E+04 2.35E+04 2.10E+04 2.71E+04 2.91E+04 9.11E+04 2.05E+04 2.49E+04 2.82E+04 3.03E+04 3.26E+04 3.13E+04 3.64E+04 3.03E+04 2.74E+04 2.69E+04 2.69E+04 2.29E+04 2.46E+04 2.09E+04 3.93E+04 2.65E+04 2.94E+04 2.42E+04 2.39E+04 2.07E+04 1.80E+04 1.89E+04 1.12E+04 1.47E+04 2.71E+04 2.67E+04 3.86E+04 1.95E+04 2.51E+04 3.91E+04 5.57E+04 6.42E+04 2.27E+04 4.66E+04 8.99E+04 3.34E+04 2.96E+04 2.76E+04 2.64E+04 2.82E+04 6.09E+04 2.76E+04 2.67E+04 5.57E+04 9.32E+04 2.15E+05 1.76E+05 1.32E+05 2.10E+05 3.12E+05 1.02E+05 2.04E+04 5.66E+04 1.39E+04 1.98E+04 HPETE/Leukotriene B4 (isobars) 4.62E+04 9.29E+04 7.81E+04 2.67E+05 5.05E+04 4.19E+04 8.06E+03 3.95E+04 5.32E+04 2.59E+05 7.50E+04 2.76E+04 6.57E+04 9.43E+04 1.52E+04 3.31E+05 1.80E+05 8.01E+04 1.91E+05 3.96E+04 8.63E+04 8.97E+04 3.32E+05 3.48E+05 3.63E+05 4.94E+05 5.94E+04 2.03E+04 3.13E+05 9.22E+04 4.23E+04 5.00E+04 7.06E+04 1.15E+05 4.77E+04 1.72E+04 2.83E+05 4.33E+04 2.49E+04 1.80E+05 2.51E+04 3.53E+04 4.23E+04 3.39E+05 2.60E+05 5.21E+04 1.92E+05 2.89E+04 1.48E+04 1.15E+05 4.53E+05 3.83E+04 3.46E+04 5.83E+05 3.46E+05 3.49E+05 4.10E+05 7.02E+05 3.34E+05 5.39E+05 4.85E+05 4.05E+04 9.92E+04 4.63E+05 4.11E+04 Prostaglandin A2/B2 2.97E+04 1.49E+04 2.42E+04 4.52E+04 2.54E+04 2.33E+04 2.48E+04 2.23E+04 2.65E+04 6.59E+04 2.94E+04 3.23E+04 2.96E+04 2.26E+04 2.95E+04 3.54E+04 6.48E+04 2.44E+04 3.95E+04 3.01E+04 3.13E+04 2.90E+04 3.38E+04 4.55E+04 2.52E+04 4.84E+04 1.14E+05 2.66E+04 4.93E+04 2.90E+04 2.30E+04 4.60E+04 2.37E+04 2.17E+04 2.72E+04 2.91E+04 5.14E+04 2.39E+04 3.65E+04 7.63E+04 2.61E+04 3.02E+04 2.57E+04 5.95E+04 7.50E+04 3.00E+04 3.24E+04 3.14E+04 2.50E+04 3.58E+04 7.27E+04 2.58E+04 3.14E+04 1.58E+05 8.50E+04 5.47E+04 1.05E+05 7.85E+04 6.27E+04 8.64E+04 5.51E+04 1.96E+04 4.72E+04 7.23E+04 2.57E+04 Prostaglandin D2/Thromboxane A2 (isobars) 2.38E+05 3.51E+05 3.09E+05 4.81E+05 2.81E+05 2.40E+05 1.79E+05 3.06E+05 3.29E+05 4.61E+05 3.76E+05 3.03E+05 5.13E+05 4.48E+05 1.97E+05 5.74E+05 3.85E+05 2.62E+05 3.86E+05 4.13E+05 3.32E+05 2.63E+05 4.06E+05 4.52E+05 3.99E+05 4.66E+05 2.84E+05 2.17E+05 4.65E+05 2.90E+05 2.65E+05 2.39E+05 3.24E+05 3.51E+05 3.44E+05 3.06E+05 5.91E+05 4.20E+05 3.37E+05 4.96E+05 4.27E+05 3.19E+05 4.21E+05 5.45E+05 5.37E+05 2.91E+05 4.45E+05 2.90E+05 1.79E+05 4.24E+05 5.17E+05 3.00E+05 3.52E+05 5.80E+05 3.75E+05 4.26E+05 4.41E+05 3.78E+05 4.17E+05 4.10E+05 5.57E+05 2.95E+05 4.63E+05 3.80E+05 2.81E+05 Prostaglandin F2alpha/beta/D1 (isobars) 1.38E+04 9.34E+03 1.03E+04 2.32E+04 4.58E+03 6.77E+03 1.98E+03 5.62E+03 3.49E+03 3.06E+04 5.92E+03 6.56E+03 6.84E+03 3.38E+03 4.07E+03 1.44E+04 4.20E+04 2.79E+03 1.99E+04 6.93E+03 5.21E+03 4.81E+03 1.93E+04 2.18E+04 1.51E+04 2.01E+04 5.94E+03 1.03E+04 2.11E+04 5.46E+03 3.73E+03 5.07E+03 8.23E+03 1.71E+03 4.04E+03 2.04E+03 2.37E+04 5.83E+03 8.44E+03 4.85E+04 1.03E+04 1.09E+04 3.12E+03 4.37E+04 3.62E+04 2.36E+03 1.09E+04 3.09E+03 4.59E+03 6.58E+03 2.01E+04 4.24E+03 3.11E+03 1.71E+04 3.61E+04 4.36E+04 3.12E+04 4.13E+04 4.71E+04 8.35E+04 2.37E+04 2.13E+03 1.22E+04 4.06E+04 3.72E+03 Prostaglandin E3/D3 (isobars) 4.96E+04 8.54E+04 1.06E+05 2.59E+05 7.57E+04 8.04E+04 1.88E+04 5.19E+04 6.68E+04 7.39E+04 7.28E+04 2.68E+04 6.27E+04 8.27E+04 1.81E+04 1.17E+05 4.40E+04 5.84E+04 1.28E+05 2.80E+04 6.76E+04 8.35E+04 1.20E+05 1.19E+05 1.69E+05 1.67E+05 5.29E+04 1.34E+04 9.06E+04 7.17E+04 2.09E+04 4.55E+04 4.53E+04 7.82E+04 5.69E+04 1.87E+04 1.68E+05 4.02E+04 2.45E+04 6.18E+04 3.07E+04 2.61E+04 4.13E+04 1.19E+05 1.13E+05 3.87E+04 1.24E+05 2.43E+04 1.59E+04 1.16E+05 1.71E+05 2.94E+04 2.06E+04 1.73E+05 7.56E+04 1.18E+05 1.12E+05 1.91E+05 1.07E+05 1.79E+05 1.22E+05 2.61E+04 6.29E+04 1.26E+05 3.06E+04 Prostaglandin G2 2.64E+04 2.90E+04 3.21E+04 5.29E+04 1.07E+04 1.37E+04 1.93E+04 1.84E+04 1.93E+04 2.98E+04 2.16E+04 1.86E+04 1.49E+04 1.60E+04 1.82E+04 8.22E+04 4.69E+04 0.00E+00 3.07E+04 2.20E+04 1.79E+04 1.72E+04 3.49E+04 3.42E+04 3.00E+04 3.09E+04 0.00E+00 1.92E+04 3.04E+04 2.03E+04 8.01E+04 2.05E+04 1.73E+04 0.00E+00 1.99E+04 1.82E+04 2.82E+04 1.80E+04 2.82E+04 2.42E+04 1.80E+04 1.72E+04 1.30E+05 2.90E+04 2.85E+04 1.63E+04 2.72E+04 1.81E+04 1.74E+04 1.71E+04 4.92E+04 1.98E+04 1.37E+04 2.79E+04 2.90E+04 5.06E+04 4.91E+04 4.19E+04 5.13E+04 3.64E+04 2.80E+04 0.00E+00 2.45E+04 2.39E+04 1.46E+04 2-3-Dinor-8-iso prostaglandin F2alpha 1.62E+04 9.35E+03 1.23E+04 2.53E+04 1.06E+04 8.00E+03 7.13E+03 9.07E+03 1.02E+04 2.24E+04 9.79E+03 7.24E+03 8.84E+03 6.62E+03 1.13E+04 1.14E+04 3.00E+04 6.83E+03 2.31E+04 1.00E+04 6.57E+03 8.56E+03 1.58E+04 1.58E+04 1.26E+04 1.43E+04 1.22E+04 1.28E+04 2.31E+04 9.17E+03 6.67E+03 1.03E+04 9.85E+03 7.52E+03 6.56E+03 8.89E+03 1.58E+04 9.42E+03 9.86E+03 4.83E+04 1.19E+04 1.09E+04 9.40E+03 2.54E+04 1.81E+04 1.08E+04 1.53E+04 9.54E+03 8.93E+03 1.09E+04 2.20E+04 6.89E+03 9.91E+03 1.83E+04 2.14E+04 3.33E+04 2.26E+04 2.94E+04 2.77E+04 4.95E+04 1.40E+04 8.93E+03 9.20E+03 3.25E+04 1.24E+04 Sphingosine 1-phosphate 1.42E+05 6.40E+05 4.33E+05 3.58E+05 6.77E+05 1.79E+05 1.39E+05 1.06E+05 7.79E+04 3.91E+05 1.22E+06 3.51E+05 1.16E+05 1.16E+05 1.32E+05 1.17E+05 4.69E+05 1.54E+05 9.77E+04 1.20E+05 1.99E+05 1.21E+05 6.04E+05 7.80E+05 3.88E+05 5.86E+05 8.78E+05 2.62E+05 5.07E+05 6.04E+05 1.29E+05 1.91E+05 9.93E+04 8.48E+04 9.05E+04 1.06E+05 7.09E+04 7.11E+05 3.20E+05 1.83E+05 1.37E+06 3.56E+05 2.29E+05 5.41E+05 6.41E+05 8.24E+05 2.45E+05 2.83E+05 1.63E+05 8.54E+04 1.19E+05 1.01E+05 8.94E+04 1.08E+05 4.17E+05 5.92E+05 5.25E+05 5.49E+05 9.24E+05 9.62E+05 4.87E+05 1.56E+05 9.81E+04 5.48E+05 9.67E+05 cresol 1.00E+06 7.56E+05 1.90E+05 3.64E+05 8.37E+03 1.06E+04 4.33E+03 8.14E+03 5.40E+03 2.58E+06 9.38E+03 2.28E+04 7.75E+03 1.14E+04 3.90E+03 3.04E+06 1.25E+06 0.00E+00 3.82E+05 1.70E+04 9.85E+04 1.15E+04 1.46E+06 5.20E+05 1.38E+06 3.87E+06 4.09E+04 1.12E+04 3.49E+06 1.24E+04 0.00E+00 7.71E+03 0.00E+00 2.57E+04 2.02E+03 1.48E+04 4.00E+06 9.51E+03 3.48E+05 1.39E+06 3.30E+04 5.01E+04 1.78E+04 1.40E+06 1.71E+07 2.11E+04 4.93E+05 0.00E+00 3.66E+04 2.33E+04 5.06E+05 1.39E+04 2.28E+04 5.38E+06 4.11E+06 6.35E+06 3.98E+06 2.78E+06 2.81E+06 8.72E+06 4.98E+06 1.18E+04 3.43E+04 2.29E+06 1.42E+04 pipecolate 2.62E+05 3.08E+05 4.17E+05 5.02E+05 1.80E+05 1.48E+05 9.36E+04 1.13E+05 1.25E+05 3.01E+05 2.50E+05 1.84E+05 1.78E+05 1.18E+05 1.69E+05 2.32E+05 3.56E+05 8.01E+04 3.19E+05 1.69E+05 2.85E+05 2.04E+05 3.23E+05 6.06E+05 3.68E+05 3.24E+05 4.21E+05 2.42E+05 3.64E+05 9.06E+04 1.78E+05 1.71E+05 1.30E+05 1.71E+05 1.03E+05 1.98E+05 3.33E+05 8.14E+04 2.43E+05 5.75E+05 1.71E+05 3.47E+05 8.82E+04 3.24E+05 1.82E+05 1.08E+05 2.50E+05 1.39E+05 1.27E+05 1.90E+05 3.67E+05 1.02E+05 1.96E+05 1.98E+05 2.02E+05 7.47E+04 2.80E+05 2.34E+05 1.72E+05 3.75E+05 4.18E+05 2.05E+05 1.02E+05 4.17E+05 1.27E+05 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG_HMDB M.z Rt ATP C00002 505.988 1.376262 ADP C00008 426.0226 0.6675246 AMP C00020 346.0555 0.6117043 GTP C00044 521.9826 1.270943 GDP C00035 442.0172 0.5772262 GMP C00144 362.05 0.6311278 UDP C00015 403 1.269487 UMP C00105 323.0275 0.582014 IMP C00130 347.0393 0.5369532 Inosine C00294 267.0726 0.6300656 (S)(+)-Allantoin C02350 157.0354 0.6724952 Urate C00366 167.0197 0.6290481 Pyridoxal C00250 166.05 0.6552172 4-Pyridoxate C00847 182.045 0.6977901 Diphosphate C00013 176.9352 0.5993698 D-Glucose C00031 179.055 0.6733726 D-Glyceraldehyde 3-phosphate/Glycerone phosphate C00118 168.9883 0.7044759 2-3-Bisphosphoglycerate C03339 264.952 2.249605 2/3-Phospho-D-glycerate C00631 184.9845 0.5619521 Phosphoenolpyruvate C00074 166.9742 3.05658 Pyruvate C00022 87.00717 0.6372188 Lactate C01432 89.02279 0.6166431 Maltose/Sucrose C00208 341.1091 0.6806859 Maltotriose C01835 503.1615 0.6824384 Mannitol/Sorbitol/Glucitol/Iditol C00392 181.0704 0.6932993 D-Ribose C00121 149.0446 0.6675702 D-Rhamnose C01684 163.0604 0.6898572 D-Arabitol/Xylitol/Ribitol C01904 151.0605 0.6810902 Citrate C00158 191.019 0.5580856 2-Oxoglutarate C00026 145.0131 0.5600109 Succite C00042 117.0178 0.5612794 Fumarate C00122 115.0022 0.5713418 Malate C00149 133.0129 0.5687523 2-Hydroxyglutarate C02630 147.0289 0.5669137 Itacote C00490 129.018 0.563634 Ascorbate C00072 175.0238 0.5871093 Dehydroascorbate C05422 173.0079 0.5618798 Propiote C00163 73.02798 0.6479798 N-Acetylneuramite C00270 308.0982 0.6131305 D-Glucorote C00191 193.0348 0.6045597 1-4-beta-D-Xylan C02352 131.0338 0.6724609 Pantothenol C00864 218.1031 0.6460866 Mercaptopyruvate C00957 118.9794 0.689375 Thiocysteine C01962 151.9834 0.6450881 Thiosulfate C00320 111.928 0.5640066 (R)-S-Lactoylglutathione C03451 378.1016 1.744505 Indolepyruvate C00331 202.0495 0.7386766 Picolinic acid C10164 122.0234 0.6115599 sn-glycero-3-Phosphoethanolamine C01233 214.0483 0.6643003 Glycerol 3-phosphate C00093 171.0057 0.6211577 Phosphoethanolamine C00346 140.0108 0.6223668 Acetoacetate C00164 101.0231 0.6771261 Beta Hydroxybutyrate C01089 103.0388 0.6340662 Octanoic acid (caprylate) C06423 143.1066 1.7414 Decanoic acid (caprate) C01571 171.1382 2.090841 Dodecanoic acid C02679 199.1699 2.294503 Tetradecanoic acid C06424 227.2012 2.533743 Hexadecanoic acid C00249 255.2326 2.864654 Octadecanoic acid C01530 283.2642 3.352611 Tetradecenoic acid C08322 225.1856 2.342627 Hexadecenoic acid C08362 253.217 2.561171 Octadecenoic acid C00712 281.2485 2.893918 Octadecadienoic acid C01595 279.2329 2.60687 Octadecatrienoic acid C06427 277.2173 2.430573 Eicosatetraenoic acid C00219 303.2331 2.515529 Eicosapentaenoic acid C06428 301.2174 2.370543 Docosahexaenoic acid C06429 327.2332 2.431896 Dodecanedioic acid C02678 229.1445 1.720637 (8Z-11Z-14Z)-Icosatrienoic acid C03242 305.2487 2.670597 (7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid C16513 329.2491 2.535646 3alpha-7alpha-12alpha-Trihydroxy-5beta-cholate C00695 407.2808 1.778233 Glycocholate C01921 464.3011 1.737329 Taurocholate C05122 514.2847 1.739283 Taurochenodeoxycholate/Tauroursodeoxycholate C05465 498.2899 1.750558 Glycodeoxycholate/Glychenodeoxycholate C05464 448.3074 1.748489 Allochenodeoxycholate C17664 391.288 2.027366 HODE C14762 295.2279 2.160989 HETE C04805 319.2295 1.974851 HPETE/Leukotriene B4 (isobars) C14820 335.2226 2.539769 Prostaglandin A2/B2 C05953 333.2087 1.756207 Prostaglandin D2/Thromboxane A2 (isobars) C00696 351.2198 2.864727 Prostaglandin F2alpha/beta/D1 (isobars) C00639 353.2339 1.738069 Prostaglandin E3/D3 (isobars) C13802 349.2035 2.418223 Prostaglandin G2 C05956 367.2143 1.874659 2-3-Dinor-8-iso prostaglandin F2alpha C14794 325.2025 1.721116 Sphingosine 1-phosphate C06124 378.2419 1.813919 cresol C01467 107.0489 0.6818269 pipecolate C00408 128.0704 0.6988364 METABOLITES_END #END