#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