#METABOLOMICS WORKBENCH JanuaryWeiner_20180515_102407 DATATRACK_ID:1403 STUDY_ID:ST000976 ANALYSIS_ID:AN001597 PROJECT_ID:PR000666
VERSION             	1
CREATED_ON             	May 29, 2018, 11:43 am
#PROJECT
PR:PROJECT_TITLE                 	GC6-74 matabolomic of tuberculosis.
PR:PROJECT_TYPE                  	Metabolomic analysis of TB vs heathy including time to TB.
PR:PROJECT_SUMMARY               	Within the GC6-74 cohorts, 4,462 HIV-negative healthy household contacts of
PR:PROJECT_SUMMARY               	1,098 index TB cases were recruited from 2006 to 2012 at four African sites
PR:PROJECT_SUMMARY               	included in this study i.e. SUN (Stellenbosch University, South Africa), MRC
PR:PROJECT_SUMMARY               	(Medical Research Council Unit, The Gambia), AHRI (Armauer Hansen Research
PR:PROJECT_SUMMARY               	Institute, Ethiopia) and MAK (Makerere University, Uganda). The study had an
PR:PROJECT_SUMMARY               	exclusion period of 3 months, such that participants, who were diagnosed with
PR:PROJECT_SUMMARY               	active TB within 3 months of enrolment, were excluded from analysis to prevent
PR:PROJECT_SUMMARY               	inclusion of participants who had incipient or asymptomatic clinical TB disease
PR:PROJECT_SUMMARY               	at enrolment. Additional exclusion criteria were positive HIV rapid test,
PR:PROJECT_SUMMARY               	current or previous anti-retroviral treatment, history of TB, pregnancy,
PR:PROJECT_SUMMARY               	participation in drug and/or vaccine clinical trials and chronic disease
PR:PROJECT_SUMMARY               	diagnosis or immunosuppressive therapy within the past 6 months, and living in
PR:PROJECT_SUMMARY               	the study area for less than 3 months. A total of 97 individuals who developed
PR:PROJECT_SUMMARY               	active TB within the two year follow-up period were included in this study and
PR:PROJECT_SUMMARY               	matched at a ratio of 1:4 with participants who remained healthy during the
PR:PROJECT_SUMMARY               	2-year follow-up period (controls); matching, by site, age class, sex, and
PR:PROJECT_SUMMARY               	wherever possible year of recruitment. Initial samples collected upon enrolment
PR:PROJECT_SUMMARY               	were termed baseline (BL) samples. Further samples were taken 6 and 18 months
PR:PROJECT_SUMMARY               	post-exposure, provided that the participant had remained TB free at the time of
PR:PROJECT_SUMMARY               	sample collection. Metabolic profiling was carried out for each study site,
PR:PROJECT_SUMMARY               	using either serum or plasma samples. For a small number of samples, an
PR:PROJECT_SUMMARY               	insufficient amount of plasma was available, so the sample was diluted using
PR:PROJECT_SUMMARY               	RPMI buffer.
PR:INSTITUTE                     	Max Planck Institute for Infection Biology
PR:DEPARTMENT                    	Immunology
PR:LAST_NAME                     	Kaufmann
PR:FIRST_NAME                    	Stefan H.E.
PR:ADDRESS                       	Charitéplatz 1,10117 Berlin, Berlin, Deutschland
PR:EMAIL                         	kaufmann@mpiib-berlin.mpg.de
PR:PHONE                         	+49 30 28460-500
PR:FUNDING_SOURCE                	Bill & Melinda Gates Foundation Grand Challenges in Global Health Program (BMGF
PR:FUNDING_SOURCE                	GC6-74,#37772 and GC6-2013, OPP1055806)
#STUDY
ST:STUDY_TITLE                   	GC6-74 matabolomic of TB (Part 3: Plasma_RPMI)
ST:STUDY_TYPE                    	Metabolomic analysis of TB vs heathy including time to TB.
ST:STUDY_SUMMARY                 	Within the GC6-74 cohorts, 4,462 HIV-negative healthy household contacts of
ST:STUDY_SUMMARY                 	1,098 index TB cases were recruited from 2006 to 2012 at four African sites
ST:STUDY_SUMMARY                 	included in this study i.e. SUN (Stellenbosch University, South Africa), MRC
ST:STUDY_SUMMARY                 	(Medical Research Council Unit, The Gambia), AHRI (Armauer Hansen Research
ST:STUDY_SUMMARY                 	Institute, Ethiopia) and MAK (Makerere University, Uganda). The study had an
ST:STUDY_SUMMARY                 	exclusion period of 3 months, such that participants, who were diagnosed with
ST:STUDY_SUMMARY                 	active TB within 3 months of enrolment, were excluded from analysis to prevent
ST:STUDY_SUMMARY                 	inclusion of participants who had incipient or asymptomatic clinical TB disease
ST:STUDY_SUMMARY                 	at enrolment. Additional exclusion criteria were positive HIV rapid test,
ST:STUDY_SUMMARY                 	current or previous anti-retroviral treatment, history of TB, pregnancy,
ST:STUDY_SUMMARY                 	participation in drug and/or vaccine clinical trials and chronic disease
ST:STUDY_SUMMARY                 	diagnosis or immunosuppressive therapy within the past 6 months, and living in
ST:STUDY_SUMMARY                 	the study area for less than 3 months. A total of 97 individuals who developed
ST:STUDY_SUMMARY                 	active TB within the two year follow-up period were included in this study and
ST:STUDY_SUMMARY                 	matched at a ratio of 1:4 with participants who remained healthy during the
ST:STUDY_SUMMARY                 	2-year follow-up period (controls); matching, by site, age class, sex, and
ST:STUDY_SUMMARY                 	wherever possible year of recruitment. Initial samples collected upon enrolment
ST:STUDY_SUMMARY                 	were termed baseline (BL) samples. Further samples were taken 6 and 18 months
ST:STUDY_SUMMARY                 	post-exposure, provided that the participant had remained TB free at the time of
ST:STUDY_SUMMARY                 	sample collection. Metabolic profiling was carried out for each study site,
ST:STUDY_SUMMARY                 	using either serum or plasma samples. For a small number of samples, an
ST:STUDY_SUMMARY                 	insufficient amount of plasma was available, so the sample was diluted using
ST:STUDY_SUMMARY                 	RPMI buffer.
ST:INSTITUTE                     	Max Planck Institute for Infection Biology
ST:DEPARTMENT                    	Immunology
ST:LAST_NAME                     	Kaufmann
ST:FIRST_NAME                    	Stefan H.E.
ST:ADDRESS                       	Charitéplatz 1,10117 Berlin, Berlin, Deutschland
ST:EMAIL                         	kaufmann@mpiib-berlin.mpg.de
ST:PHONE                         	+49 30 28460-500
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	8-60
SU:GENDER                        	Male and female
SU:HUMAN_SMOKING_STATUS          	YES
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.0240	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:M	DONOR_ID=MAK_09_donor5; CASE_GROUP=MAK_09; TIME_TO_TB=10; SAMPLE_TYPE=plasma.RPMI; AGE=52; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.0523	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:F	DONOR_ID=MAK_05_donor2; CASE_GROUP=MAK_05; TIME_TO_TB=3; SAMPLE_TYPE=plasma.RPMI; AGE=20; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.2072	GROUP:case | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_06_donor3; CASE_GROUP=MAK_06; TIME_TO_TB=5; SAMPLE_TYPE=plasma.RPMI; AGE=40; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.2304	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:F	DONOR_ID=MAK_04_donor5; CASE_GROUP=MAK_04; TIME_TO_TB=11; SAMPLE_TYPE=plasma.RPMI; AGE=20; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.2872	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:F	DONOR_ID=MAK_05_donor4; CASE_GROUP=MAK_05; TIME_TO_TB=9; SAMPLE_TYPE=plasma.RPMI; AGE=18; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.2949	GROUP:case | TIMEPOINT:BL | REGION:MAK | GENDER:F	DONOR_ID=MAK_04_donor3; CASE_GROUP=MAK_04; TIME_TO_TB=11; SAMPLE_TYPE=plasma.RPMI; AGE=18; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.3319	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:F	DONOR_ID=MAK_05_donor2; CASE_GROUP=MAK_05; TIME_TO_TB=9; SAMPLE_TYPE=plasma.RPMI; AGE=20; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.3768	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:F	DONOR_ID=MAK_05_donor3; CASE_GROUP=MAK_05; TIME_TO_TB=9; SAMPLE_TYPE=plasma.RPMI; AGE=16; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.4138	GROUP:case | TIMEPOINT:M06 | REGION:MAK | GENDER:F	DONOR_ID=MAK_05_donor5; CASE_GROUP=MAK_05; TIME_TO_TB=3; SAMPLE_TYPE=plasma.RPMI; AGE=15; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.4243	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:M	DONOR_ID=MAK_09_donor1; CASE_GROUP=MAK_09; TIME_TO_TB=10; SAMPLE_TYPE=plasma.RPMI; AGE=46; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.4312	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:F	DONOR_ID=MAK_05_donor1; CASE_GROUP=MAK_05; TIME_TO_TB=3; SAMPLE_TYPE=plasma.RPMI; AGE=17; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.4380	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_06_donor2; CASE_GROUP=MAK_06; TIME_TO_TB=5; SAMPLE_TYPE=plasma.RPMI; AGE=46; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.4755	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:F	DONOR_ID=MAK_05_donor1; CASE_GROUP=MAK_05; TIME_TO_TB=9; SAMPLE_TYPE=plasma.RPMI; AGE=17; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.4981	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:F	DONOR_ID=MAK_05_donor4; CASE_GROUP=MAK_05; TIME_TO_TB=3; SAMPLE_TYPE=plasma.RPMI; AGE=18; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.5969	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_09_donor2; CASE_GROUP=MAK_09; TIME_TO_TB=16; SAMPLE_TYPE=plasma.RPMI; AGE=47; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.6037	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_09_donor4; CASE_GROUP=MAK_09; TIME_TO_TB=16; SAMPLE_TYPE=plasma.RPMI; AGE=41; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.7049	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:M	DONOR_ID=MAK_09_donor2; CASE_GROUP=MAK_09; TIME_TO_TB=10; SAMPLE_TYPE=plasma.RPMI; AGE=47; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.7138	GROUP:case | TIMEPOINT:BL | REGION:MAK | GENDER:F	DONOR_ID=MAK_05_donor5; CASE_GROUP=MAK_05; TIME_TO_TB=9; SAMPLE_TYPE=plasma.RPMI; AGE=15; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.7374	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_09_donor5; CASE_GROUP=MAK_09; TIME_TO_TB=16; SAMPLE_TYPE=plasma.RPMI; AGE=52; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.7424	GROUP:case | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_09_donor3; CASE_GROUP=MAK_09; TIME_TO_TB=16; SAMPLE_TYPE=plasma.RPMI; AGE=52; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.7468	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_06_donor5; CASE_GROUP=MAK_06; TIME_TO_TB=5; SAMPLE_TYPE=plasma.RPMI; AGE=42; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.7717	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:F	DONOR_ID=MAK_04_donor4; CASE_GROUP=MAK_04; TIME_TO_TB=11; SAMPLE_TYPE=plasma.RPMI; AGE=19; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.8510	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_06_donor4; CASE_GROUP=MAK_06; TIME_TO_TB=5; SAMPLE_TYPE=plasma.RPMI; AGE=58; SMOKE=Yes; FSMOKE=6-10; SMOKEYRS=NA
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.8512	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:M	DONOR_ID=MAK_09_donor4; CASE_GROUP=MAK_09; TIME_TO_TB=10; SAMPLE_TYPE=plasma.RPMI; AGE=41; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.8814	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_09_donor1; CASE_GROUP=MAK_09; TIME_TO_TB=16; SAMPLE_TYPE=plasma.RPMI; AGE=46; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.9763	GROUP:case | TIMEPOINT:M06 | REGION:MAK | GENDER:M	DONOR_ID=MAK_09_donor3; CASE_GROUP=MAK_09; TIME_TO_TB=10; SAMPLE_TYPE=plasma.RPMI; AGE=52; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.9818	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:F	DONOR_ID=MAK_05_donor3; CASE_GROUP=MAK_05; TIME_TO_TB=3; SAMPLE_TYPE=plasma.RPMI; AGE=16; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.0560	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_03_donor4; CASE_GROUP=MAK_03; TIME_TO_TB=3; SAMPLE_TYPE=plasma.RPMI; AGE=32; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.0898	GROUP:case | TIMEPOINT:M06 | REGION:MAK | GENDER:M	DONOR_ID=MAK_10_donor2; CASE_GROUP=MAK_10; TIME_TO_TB=1; SAMPLE_TYPE=plasma.RPMI; AGE=18; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.2902	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_02_donor1; CASE_GROUP=MAK_02; TIME_TO_TB=3; SAMPLE_TYPE=plasma.RPMI; AGE=17; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.2981	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_02_donor2; CASE_GROUP=MAK_02; TIME_TO_TB=3; SAMPLE_TYPE=plasma.RPMI; AGE=17; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.3365	GROUP:case | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_08_donor2; CASE_GROUP=MAK_08; TIME_TO_TB=5; SAMPLE_TYPE=plasma.RPMI; AGE=40; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.3660	GROUP:case | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_03_donor1; CASE_GROUP=MAK_03; TIME_TO_TB=3; SAMPLE_TYPE=plasma.RPMI; AGE=30; SMOKE=Yes; FSMOKE=> 10; SMOKEYRS=NA
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.3772	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_08_donor5; CASE_GROUP=MAK_08; TIME_TO_TB=5; SAMPLE_TYPE=plasma.RPMI; AGE=38; SMOKE=> 6M; FSMOKE=1-5; SMOKEYRS=NA
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.3787	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:M	DONOR_ID=MAK_10_donor1; CASE_GROUP=MAK_10; TIME_TO_TB=1; SAMPLE_TYPE=plasma.RPMI; AGE=19; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.4132	GROUP:case | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_02_donor4; CASE_GROUP=MAK_02; TIME_TO_TB=3; SAMPLE_TYPE=plasma.RPMI; AGE=17; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.5074	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_08_donor1; CASE_GROUP=MAK_08; TIME_TO_TB=5; SAMPLE_TYPE=plasma.RPMI; AGE=48; SMOKE=Yes; FSMOKE=1-5; SMOKEYRS=NA
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.5431	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_02_donor5; CASE_GROUP=MAK_02; TIME_TO_TB=3; SAMPLE_TYPE=plasma.RPMI; AGE=16; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.6068	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:M	DONOR_ID=MAK_10_donor3; CASE_GROUP=MAK_10; TIME_TO_TB=1; SAMPLE_TYPE=plasma.RPMI; AGE=18; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.6114	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_03_donor3; CASE_GROUP=MAK_03; TIME_TO_TB=3; SAMPLE_TYPE=plasma.RPMI; AGE=27; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.6606	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_08_donor4; CASE_GROUP=MAK_08; TIME_TO_TB=5; SAMPLE_TYPE=plasma.RPMI; AGE=41; SMOKE=Yes; FSMOKE=1-5; SMOKEYRS=NA
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.7816	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_03_donor5; CASE_GROUP=MAK_03; TIME_TO_TB=3; SAMPLE_TYPE=plasma.RPMI; AGE=35; SMOKE=> 6M; FSMOKE=NA; SMOKEYRS=NA
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.8308	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_08_donor3; CASE_GROUP=MAK_08; TIME_TO_TB=5; SAMPLE_TYPE=plasma.RPMI; AGE=46; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.9322	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_02_donor3; CASE_GROUP=MAK_02; TIME_TO_TB=3; SAMPLE_TYPE=plasma.RPMI; AGE=15; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
SUBJECT_SAMPLE_FACTORS           	-	MPIIB.9798	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	DONOR_ID=MAK_03_donor2; CASE_GROUP=MAK_03; TIME_TO_TB=3; SAMPLE_TYPE=plasma.RPMI; AGE=31; SMOKE=No; FSMOKE=N.a.; SMOKEYRS=N.a.
#COLLECTION
CO:COLLECTION_SUMMARY            	Collection include three different types of sample source: PLASMA, SERUM,
CO:COLLECTION_SUMMARY            	SERUM_RMPI. In study part 2 (ID:1403) results for serum_rmpi are stored.
CO:SAMPLE_TYPE                   	Blood (serum)
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	NA
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	NA
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Unspecified
CH:INSTRUMENT_NAME               	None
CH:COLUMN_NAME                   	none
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	The formulas were provided by Metabolon, Inc. who did the compound
MS:MS_COMMENTS                   	identification. The asterisks indicate the level of certainty about compound
MS:MS_COMMENTS                   	identification from mass spectroscopy: * indicates that a compound that has not
MS:MS_COMMENTS                   	been confirmed based on a standard, but we are confident in its identity; **
MS:MS_COMMENTS                   	implies that a compound for which a standard is not available, but we are
MS:MS_COMMENTS                   	reasonably confident in its identity or the information provided. Basically,
MS:MS_COMMENTS                   	there is no standard available to confirm its identity.
MS:MS_RESULTS_FILE               	ST000976_AN001597_Results.txt	UNITS:scaled units
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	scaled units
MS_METABOLITE_DATA_START
Samples	MPIIB.4132	MPIIB.5431	MPIIB.2981	MPIIB.2902	MPIIB.9322	MPIIB.7424	MPIIB.9763	MPIIB.6037	MPIIB.8512	MPIIB.5969	MPIIB.7049	MPIIB.8814	MPIIB.4243	MPIIB.7374	MPIIB.0240	MPIIB.7138	MPIIB.4138	MPIIB.3319	MPIIB.0523	MPIIB.2872	MPIIB.4981	MPIIB.3768	MPIIB.9818	MPIIB.4755	MPIIB.4312	MPIIB.0898	MPIIB.6068	MPIIB.3787	MPIIB.2949	MPIIB.2304	MPIIB.7717	MPIIB.2072	MPIIB.7468	MPIIB.8510	MPIIB.4380	MPIIB.3660	MPIIB.0560	MPIIB.6114	MPIIB.7816	MPIIB.9798	MPIIB.3365	MPIIB.3772	MPIIB.6606	MPIIB.8308	MPIIB.5074
Factors	GROUP:case | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:case | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:case | TIMEPOINT:M06 | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:M	GROUP:case | TIMEPOINT:BL | REGION:MAK | GENDER:F	GROUP:case | TIMEPOINT:M06 | REGION:MAK | GENDER:F	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:F	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:F	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:F	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:F	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:F	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:F	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:F	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:F	GROUP:case | TIMEPOINT:M06 | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:M06 | REGION:MAK | GENDER:M	GROUP:case | TIMEPOINT:BL | REGION:MAK | GENDER:F	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:F	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:F	GROUP:case | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:case | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:case | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M	GROUP:control | TIMEPOINT:BL | REGION:MAK | GENDER:M
1,2-propanediol	1.3027	0.9426	0.7139	1.0442	0.8983	2.8957	11.9387	0.9855	0.9339	0.9414	0.8677	1.055	1.1633	1.1903	0.779	1.0145	0.8616	0.8486	2.8924	0.8356	1.346	0.9102	0.783	1.115	0.9779	1.024	1.0398	1.0843	1.0492	5.2691	2.1126	0.875	0.6674	0.991	1.0255	1.7698	1.3744	1.1235	0.9806	0.7989	0.7135	1	0.6798	0.5893	1.2431
1,3,7-trimethylurate	1.1428	0.2222	0.2222	0.2222	0.2222	0.2222	0.2222	0.2222	0.2222	0.2222	1	0.2222	0.2222	0.2222	0.2222	0.2222	0.2222	0.2222	0.2222	0.2222	0.2222	0.2222	0.2222	0.2222	0.2222	0.2222	0.2222	0.6414	0.2222	0.2222	0.2222	0.2222	1.1912	0.2222	0.2222	0.2222	0.2222	0.2222	0.9219	0.2222	0.2222	1.0781	0.2222	0.2222	0.2222
1,3-dimethylurate	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	0.8141	1	0.8141	0.8141	0.8141	0.8141	0.8141	1.1234	0.8141	0.8141	0.8141	0.8141	0.8141	0.8766	0.8141	0.8141	2.59	0.8141	0.8141	0.8141
1,5-anhydroglucitol (1,5-AG)	1.7516	1.1892	0.8096	1.143	1.3813	1.0511	0.8213	0.7104	1.2887	1.0085	1.2275	0.4193	0.7012	1.5873	1.3666	0.4669	0.77	0.9376	0.8935	1.0263	0.9552	0.7909	0.9915	0.6565	0.7526	1.6195	1.7996	1.8576	1.0595	0.4488	0.9789	1.3323	1.2229	1.457	1.0213	0.8497	1.5267	0.9081	1.9931	0.8373	0.8345	1.1881	1	0.3699	0.7547
1,7-dimethylurate	0.4011	0.1944	0.1944	0.1944	0.1944	0.1944	1.1648	0.1944	0.1944	0.1944	0.8352	0.1944	0.1944	0.1944	0.1944	0.1944	0.1944	0.1944	0.1944	0.1944	0.1944	0.1944	0.1944	0.1944	0.1944	0.1944	2.5417	0.1944	0.1944	0.1944	0.1944	0.1944	1.8917	0.1944	1.1688	0.1944	0.1944	0.1944	0.8312	0.1944	0.1944	2.1865	0.1944	0.1944	0.4033
10-heptadecenoate (17:1n7)	0.7158	0.8657	0.5205	0.7181	0.7394	1.3308	6.7149	1.491	0.7234	4.6837	1.0825	3.5056	6.7859	2.3578	1.1067	0.6144	0.5697	1.6635	1.1054	1.7307	1.8174	2.4573	0.7511	0.9175	0.4584	0.8212	0.7597	0.6869	1.0777	1.0515	0.4977	1.7923	0.3768	2.9929	0.8638	0.4412	1.2605	0.3133	1.5637	0.7074	1.3285	0.3835	1.1782	1	0.8099
10-nonadecenoate (19:1n9)	0.4013	1.0193	0.4332	0.5568	0.427	1.4882	12.2188	1.7142	0.9891	4.8144	1.0109	2.7454	5.7233	2.0352	1.0321	0.8352	0.8052	1.5474	0.8977	1.2418	1.6664	2.0287	0.9261	0.9383	0.4631	0.7698	0.6352	0.662	1.3608	1.7686	0.5687	1.9017	0.2431	3.518	0.7958	0.2411	1.5792	0.2333	1.8301	1	1.9262	0.3078	0.9333	1.0809	0.7275
10-undecenoate (11:1n1)	0.2947	0.8416	0.2947	2.123	0.2828	0.9027	3.0186	1.5857	0.3686	1.9244	0.72	1.2961	2.6586	1.5698	0.9565	1.3198	1.0435	1.0738	1.2037	0.4651	1.0742	1.671	0.5652	1.1072	0.3054	0.7685	0.2842	0.3609	0.5217	0.9582	1.4908	0.8695	2.5899	5.0612	1.1539	0.4809	0.812	0.2335	3.5299	3.5571	1	0.5841	0.5536	2.3344	1.9456
13-HODE + 9-HODE	1.2218	1.1644	1.1282	0.5579	1.1433	0.949	0.5912	0.5323	0.3051	1.1193	0.9944	1.3344	2.4325	0.5211	0.763	0.5018	0.6507	1.0085	0.9218	1.0601	0.6873	1.3019	0.643	0.5826	1.4376	1.0056	1.3107	5.7158	1	0.5039	1.211	0.6312	1.3749	1.1569	1.7978	0.5535	0.7654	1.0731	0.8242	0.4217	1.1422	0.9349	1.6448	0.3832	1.4563
13-methylmyristic acid	0.8531	1.0884	0.7002	0.9194	0.8767	1.1929	2.0722	1.0503	0.9814	1.5247	0.8616	1.7113	1.7505	1.1298	0.8946	0.9996	1.0004	0.941	1.0492	1.3492	1.1125	1.3546	1.1198	0.9367	0.8246	0.9658	0.871	0.3698	1.1675	1.0272	0.9669	1.6529	0.8724	1.8377	0.9108	1.4224	1.1605	0.7275	1.7904	0.8889	1	0.7794	0.9506	1.1276	0.9337
15-methylpalmitate (isobar with 2-methylpalmitate)	0.8422	1.1676	0.5003	0.714	0.5759	1.296	4.549	0.9488	0.7772	1.6357	1.1696	1.436	1.911	1.2354	1.0729	0.8287	0.9126	1.0246	1.0805	0.9754	1.3238	1.2682	1.0395	0.861	0.6652	0.9717	0.8807	0.6129	1.0453	0.8223	0.7733	1.2193	1.0127	1.8693	0.869	0.6876	1.4489	0.8883	1.2595	1	0.7972	0.6439	1.0739	0.7802	1.1789
16a-hydroxy DHEA 3-sulfate	4.2851	0.8901	0.7819	1.7763	1.4934	0.1001	0.0778	0.5157	0.7786	0.375	0.4269	0.1886	0.1763	0.228	0.201	1.1099	2.5087	0.5105	0.3739	2.2418	1.1845	1.5815	1.8481	1.229	1.4844	10.9814	1.2665	5.1947	0.9049	1.0262	2.4924	0.7798	0.5912	0.3553	0.6639	2.2378	4.8265	1.4524	1.1453	1	2.0095	0.1597	0.1478	1.1824	0.8313
16-hydroxypalmitate	1.1794	0.9921	1.0317	0.8911	0.8162	1.215	3.0105	1.1852	1.1164	1.5252	1.0211	1.4933	2.0878	0.9963	0.7236	0.9926	1.0059	1.2786	0.9545	0.9548	0.9789	0.9974	1.0026	0.584	0.7426	0.7757	1.1444	0.7783	1.137	1	0.8685	0.9768	0.9564	1.0439	0.8414	1.0148	1.055	0.7847	1.0398	0.8558	0.9145	0.6964	1.3975	1.0717	1.1654
17-methylstearate	0.6145	0.5675	0.4505	0.5084	0.8666	1.3019	4.7534	1.1517	1.0775	1.7002	1.0128	1.7551	1.9337	1.1937	0.9536	0.9967	0.8253	0.9748	0.7491	1.1648	1.6266	1.4461	0.8684	1.0837	0.9583	1.0033	0.8713	0.6728	1.2312	0.9813	0.7133	1.1564	0.7907	1.6885	0.8468	0.6382	1.0305	0.6977	1.2602	0.9127	1.0445	0.5616	1	1.0537	1.2635
1-arachidonoylglycerophosphocholine (20:4n6)*	0.8774	0.3444	1.2672	0.9979	0.9143	0.8423	0.6268	0.6322	1.0218	1.8971	1.0021	1.2731	0.9969	1.8231	1.093	0.6891	1.017	0.79	0.729	1.01	1.0738	0.6537	0.9688	0.6874	1.29	1.4551	2.0689	1.0829	0.5359	0.3993	0.4803	0.9325	1.3903	1.8572	1.3765	0.5678	1	1.0754	1.0705	0.8656	1.3553	1.8426	1.176	0.6979	0.864
1-arachidonoylglycerophosphoethanolamine*	0.6611	0.2331	0.6006	0.8665	0.5183	1.5201	1.3747	0.8281	0.9692	1.6543	1.2203	1.8904	1.9487	1.5	0.8562	0.4759	0.7811	0.6124	1.0308	1.3986	1.0962	1.3624	0.9304	0.5457	0.8757	1.427	1.0345	1.2534	0.7207	0.432	1.0584	1.1552	0.9043	1.5052	2.0714	1.2086	1.3845	0.8406	1.9749	0.9639	0.6422	0.9072	1	0.8691	1.139
1-arachidonoylglycerophosphoinositol*	1.3204	0.8366	0.5991	1.3624	1.0015	0.8835	1.6988	0.5481	1.4417	1.435	1.1836	1.5806	4.2454	1.3569	1.8395	0.4973	1.1941	0.4665	0.868	0.9859	0.3763	0.9985	0.874	0.8558	1.1244	2.0525	0.4211	0.4288	1.2131	0.9955	0.9584	0.7269	2.1658	1.6563	1.0155	0.9996	1	0.5209	3.0834	1.8452	0.405	1.2689	0.7357	0.7376	1.1444
1-arachidonoylglyercophosphate	0.6794	0.3836	0.6068	1.0872	0.8587	0.9648	1.0352	0.417	1.3819	0.9368	0.6096	1.8604	2.4045	1.365	0.7134	0.301	1.8926	0.6363	1.4821	1.5594	0.8828	0.708	1.3574	1.3951	1.2763	1.2604	1.0787	0.3885	1.4938	0.4558	0.9301	0.4682	1.7633	1.3626	1.3772	0.6445	1.3658	1	0.9545	1.4918	0.4722	0.823	1.1035	0.7626	1.0742
1-arachidoylglycerophosphocholine (20:0)	1.416	0.1767	2.2363	0.7661	0.8633	0.8718	0.2803	1.2048	2.0589	1.3091	0.4661	1.1199	0.4125	0.984	0.2834	1.2011	0.9745	0.836	1.2089	0.7633	1.016	0.8484	1.6145	0.6423	1.4861	1.782	1.5969	2.1298	1.1303	0.1767	0.5798	1.6585	1.8198	1.8719	1.9978	0.7221	0.4894	0.8697	1.2344	0.3752	2.2387	0.5884	1.6874	0.2643	0.5053
1-dihomo-linoleoylglycerophosphocholine (20:2n6)*	0.9985	0.1294	1.9761	0.7791	0.7219	1.9006	1.0015	0.3212	1.286	1.738	0.4676	1.2696	0.8185	1.4091	0.5765	0.6202	0.7644	0.9734	0.8188	1.1771	1.2379	0.4268	1.6369	0.5788	1.6079	1.7999	3.4044	1.9772	0.6352	0.1294	0.3541	1.4208	0.9619	1.2293	0.9006	1.1466	1.2548	0.5089	1.0381	0.5729	1.1957	1.4098	1.6537	0.881	0.5242
1-docosahexaenoylglycerophosphocholine (22:6n3)*	0.6616	0.3554	1.3072	0.743	0.8085	1.1296	0.923	0.6579	1.0023	1.3881	0.7238	1.9237	1.5869	1.422	0.9977	0.7338	1.1249	0.8035	0.7812	1.2826	1.4536	0.8973	1.5424	1.1683	2.8034	0.8756	1.9081	0.809	0.5039	0.4589	1	0.9103	1.2872	2.5014	1.4556	0.8898	1.0629	0.7496	0.876	0.9694	1.2618	2.1384	1.1288	0.871	1.0113
1-docosahexaenoylglycerophosphoethanolamine*	0.4932	0.2496	0.5524	0.6195	0.4468	1.9046	1.7968	0.7866	0.8004	1.5441	1.0755	2.4757	3.6295	1.2858	0.6408	0.541	1.1387	0.6793	0.9786	1.6473	1.5384	1.367	1.0813	0.8401	1.7084	0.9045	1.0214	0.819	0.6407	0.6031	1.6952	0.8604	0.8676	1.8915	1.8617	1.6263	1.6759	0.7172	1.3144	1.246	0.608	1	0.89	0.8278	1.5911
1-docosapentaenoylglycerophosphocholine (22:5n3)*	0.4822	0.3245	1.0511	0.5791	0.6206	1.1132	1.0136	0.6542	1.0998	2.5411	1.6606	0.9094	1.0899	1.212	0.9469	0.5652	0.6332	1.0016	0.7732	0.9813	1.2261	0.6242	0.7454	1.2784	1.9527	0.9984	1.5411	1.1375	0.3636	0.201	0.4807	1.172	1.3776	2.2505	1.0372	1	0.9578	0.8289	0.8534	0.6843	1.2292	2.7697	1.3537	1.0921	0.9081
1-docosapentaenoylglycerophosphocholine (22:5n6)*	1	0.1179	1.3316	1.5777	1.5854	0.362	0.7793	0.3135	0.5194	0.8014	0.9151	2.1877	1.2421	2.9404	1.4984	0.5262	0.5505	0.3758	0.5818	0.4415	1.1372	0.924	1.7226	0.4772	1.1699	1.4374	2.5032	1.368	0.1179	0.1179	0.5562	0.9726	0.9975	2.3391	1.3028	0.5877	2.3939	0.6497	1.0025	0.8495	1.3624	1.7325	2.9195	0.8371	1.2347
1-eicosapentaenoylglycerophosphocholine (20:5n3)*	0.633	0.2254	0.8859	0.3383	1.0154	2.096	1.4588	0.6768	1.1941	4.5192	3.4226	0.9392	2.16	1.1845	0.6952	0.718	0.8996	0.9724	0.8222	1.3895	3.4126	0.8439	0.9846	1.3508	4.2843	1.0548	1.7194	0.5963	0.4591	0.1543	0.3396	1	1.8008	4.607	1.4986	1.1124	0.8112	0.8885	1.6923	0.8126	0.8451	1.67	0.8358	1.5461	1.0301
1-eicosapentaenoylglycerophosphoethanolamine*	0.1865	0.1886	0.1865	0.1865	0.5775	4.9769	2.5485	0.232	1.1824	2.8065	7.6344	0.7533	6.1509	0.5522	0.3341	0.1865	0.5102	0.6397	0.7435	2.3042	3.2491	1.0276	1.208	1.6416	3.0262	0.5691	0.9724	0.2607	0.6044	0.1865	0.3241	1.3348	0.8208	3.5961	2.1461	2.7008	0.5009	0.4563	2.8365	1.0954	0.1865	0.9046	1.5135	1.794	0.8974
1-eicosatrienoylglycerophosphocholine (20:3)*	1.4559	0.1584	1.2302	0.674	0.9347	0.7971	0.6638	0.4511	1.041	2.1961	1.2766	1.6025	1.1216	1.7739	1.1144	0.68	0.5043	0.8498	0.4262	1.092	1.371	0.5195	1.2944	0.4228	0.9191	1.9584	1.4049	0.959	0.5149	0.1729	0.374	1.6981	1.1087	1.042	0.9766	0.6688	1.2471	0.9907	1.1319	0.6535	1.48	2.034	2.5011	0.8211	1
1-eicosatrienoylglycerophosphoethanolamine*	0.8268	0.1983	0.3838	0.8172	0.798	1.1376	1.0319	0.34	1.1888	1.284	1.8011	1.4472	1.685	1.7983	0.8514	0.4779	0.9098	0.5754	0.4444	2.18	1.8154	0.9681	1.2826	0.7246	0.9425	2.0017	1.3082	1.5218	0.634	0.1948	0.6565	1.3707	0.5458	0.575	1.3491	1.1495	1.3329	1.1883	1.3176	0.8383	0.3147	0.9223	1.2291	1	1.0087
1-eicosenoylglycerophosphocholine (20:1n9)*	1.6277	0.2984	2.5966	1.0345	0.9664	0.9942	0.6143	0.5002	1.5666	2.1883	0.6128	0.9627	0.4274	1.7418	0.8378	0.8377	1.0532	1.0058	0.9375	0.7067	1.2619	0.7209	1.5243	0.1557	1.5453	2.2745	2.4964	2.8	0.6173	0.1557	0.4048	1.3504	1.708	2.1471	1.171	0.2637	0.9039	1.0961	1.1166	0.6305	2.3754	1.1469	0.7129	0.5485	0.5859
1-linolenoylglycerophosphocholine (18:3n3)*	0.9721	0.234	0.9474	0.3678	1.4221	1.9457	1.5769	0.1436	1.3555	1.8778	1.8112	0.7415	1.0279	1.2545	0.5415	0.803	0.6527	0.4881	0.4548	1.4539	1.2455	0.5757	1.5204	0.9673	1.5718	1.4161	3.9233	0.8635	0.8996	0.0224	0.1738	1.1919	0.9576	0.9009	1.2033	1	1.28	1.3579	2.3394	0.4969	0.7003	1.2089	2.9854	1.23	0.8278
1-linoleoylglycerol (1-monolinolein)	0.6196	1.0027	13.0459	0.6585	0.671	0.6788	0.0514	0.6162	0.9973	0.6528	0.0834	2.2283	0.6562	1.2126	0.2662	1.6952	0.0772	10.5832	0.0514	4.7165	1.7782	1.6863	1.8374	0.6451	0.8224	1.075	10.3278	30.8736	1.3944	0.0884	0.0514	1.0513	1.0853	0.9964	1.8922	0.8163	1.0036	1.1747	0.0514	0.4695	1.7285	1.5882	0.5507	0.8596	0.6567
1-linoleoylglycerophosphocholine (18:2n6)	1.4771	0.2576	2.2485	1.1716	1.2146	0.9464	0.7654	0.5912	1.1528	1.1266	0.7204	0.9208	0.9077	1.2109	0.7963	0.7805	0.7262	0.6682	0.8912	1.1929	1.0536	0.718	1.9671	0.7621	1.9028	1.3112	2.4386	2.0638	0.6687	0.2518	0.822	1.1395	1.7489	1	1.1113	0.8759	0.9207	1.2425	1.0806	0.5217	1.1312	2.1859	1.1311	0.6975	0.6753
1-linoleoylglycerophosphoethanolamine*	0.831	0.2073	1	0.9907	0.7676	1.9332	1.0363	0.5365	0.9667	0.5253	1.1522	1.0426	1.6609	0.8428	0.6713	0.4181	0.5457	0.302	1.0063	1.6199	1.026	1.0888	1.7546	0.6438	1.3882	1	1.6037	2.6318	0.7783	0.1553	1.9653	1.1078	1.1138	0.8495	1.5175	2.1461	0.8177	1.1427	1.6792	0.505	0.4191	1.7399	1	0.5902	0.8129
1-linoleoylglycerophosphoinositol*	2.7548	0.6974	1.4794	1.0157	1.0507	2.4921	5.1064	0.2678	1.5935	0.8233	0.9673	1.866	5.6403	0.9157	0.9153	0.3424	1.3447	0.3927	0.724	0.4637	0.2678	1.1394	1.9251	0.4482	0.574	3.1285	0.9843	0.6776	1.1459	0.2678	1.3037	0.2678	1.3461	0.6003	0.4677	1.4033	0.4538	0.2958	1.3546	1	0.2678	1.0885	0.2678	0.2678	0.2687
1-margaroylglycerophosphocholine (17:0)	0.6269	0.4111	1.1658	0.8079	0.6523	0.6684	0.4283	0.7451	1.1872	2.5125	1.3236	0.9078	0.6324	1.6355	1.0134	1.0964	0.7897	1.1836	0.6562	1.724	2.1114	0.9866	1.3389	1.4048	1.9635	0.7334	1.7723	0.7107	0.8944	0.1182	0.3901	2.2944	1.5015	1.7534	1.368	0.6724	1.2267	0.8534	0.8706	0.9951	2.1763	1.8458	1	1.3958	0.7578
1-methyl-2-piperidinecarboxylic acid	2.2306	1.6624	0.2694	0.9323	0.8055	0.7021	0.5687	0.5236	1.8424	0.6529	1.1857	1.1292	3.093	1.9556	2.3115	0.1464	0.6418	1.5251	1.9554	0.7419	0.978	0.4084	1.022	0.4754	0.7358	1.0653	1.1369	1.3326	1.6585	0.5211	0.4674	1.6358	0.855	0.885	1.7514	1.0441	0.2674	1	3.7805	0.8136	1.444	2.3	2.6798	0.2365	0.5816
1-methylhistidine	0.8134	0.7569	0.4985	0.9475	0.4394	1.3512	0.9081	1.1858	1.5888	0.9982	1.5083	1.1138	1.9645	1.7822	2.1163	0.3591	0.5349	0.6551	1.0233	0.6844	1.2528	0.6779	0.8275	0.9258	1.0018	1.2014	1.6577	1.1371	0.6946	0.3591	1.8351	0.7753	2.1504	1.003	1.6865	1.1701	0.9914	0.8985	1.1749	1.7032	0.5437	1.1924	0.9264	0.997	0.6692
1-methylurate	2.4591	1.7087	0.6262	0.4187	1.6248	0.9856	6.2956	0.0722	1	0.8095	12.4585	0.8711	1.1144	0.5092	1.7693	0.0722	0.4457	0.0722	0.0722	0.3855	0.0722	0.0722	0.381	1.1613	0.5739	1.3396	8.7721	0.0722	0.3821	0.0722	0.0722	0.0722	1.6471	0.0722	3.0243	1.4405	0.5595	0.0722	3.0569	0.1116	0.1768	2.1419	0.3451	0.0722	1.803
1-myristoylglycerophosphocholine (14:0)	0.953	0.5509	0.9668	0.6329	1.0975	1.8464	1.2327	0.3218	1.2373	1.908	1.266	0.9432	1.2387	1.0668	0.804	0.884	0.9897	0.6746	0.4242	1.2862	1.2862	0.5894	1.0955	0.7019	1.0928	1.0103	1.9999	0.5312	1.1436	0.3541	0.2485	1.424	1.0645	0.7208	1.3709	0.6959	1	1.1872	1.2193	0.6864	0.8322	0.6835	2.232	0.8964	1.0097
1-nonadecanoylglycerophosphocholine(19:0)	0.6889	0.2882	1.2464	0.5679	0.9234	0.6041	0.1526	1.3858	1.2251	2.6191	0.6049	0.1526	0.3432	1.3935	0.1526	0.5671	0.7947	1.5044	0.5965	0.7715	1.8891	1.4542	2.6582	1.0766	2.3407	0.8816	3.1981	1.8991	0.8111	0.1526	0.4726	1.4055	1.8102	1.7448	1.2187	0.1526	0.7621	1.1327	0.5542	0.4321	1.0391	2.1733	1	0.1779	0.2477
1-oleoylglycerol (1-monoolein)	0.7058	1.0879	2.0676	0.6559	0.7213	0.9334	0.3263	0.2649	0.6942	1.0321	0.5104	1.4287	0.9679	1.5152	1.1632	0.5986	0.2247	3.8837	0.2171	1.8192	1.5466	1.4998	2.9734	1.0518	0.8973	0.8492	2.4742	4.639	0.7979	0.4088	0.0996	0.9797	0.7805	1.5627	3.1248	1.2837	1	1.2149	0.4179	0.58	1.5303	1.151	3.1376	1.2914	0.8408
1-oleoylglycerophosphocholine (18:1)*	1.2512	0.5038	1.7169	0.8857	1.0446	2	1.6764	0.5458	1.0333	1.2685	0.8099	0.8677	0.8218	1.2637	0.6438	0.5824	0.7368	0.7685	0.5989	1.2495	0.9667	0.6709	1.3361	0.8125	1.2339	1.4742	2.2311	1.4117	0.5088	0.2372	0.4181	1	1.013	1.2609	1.0171	1.0133	0.9269	0.9921	1.1997	0.5338	1.2068	1.2724	1.7376	0.6765	0.7963
1-oleoylglycerophosphoethanolamine	1.3549	0.5025	0.5891	0.7003	1.1124	2.9707	2.5089	0.2359	1.0443	0.8619	1.02	0.8399	2.3377	1.3098	0.4724	0.2397	0.696	0.2655	0.7762	1.8995	0.98	0.2728	3.2084	0.7442	1.8304	1.4763	1.2642	2.0065	0.8081	0.3218	1.3437	0.7735	1	0.8521	1.4731	1.4013	1.0599	1.348	2.0291	0.7123	0.5718	1.2313	2.1042	0.8249	0.9911
1-oleoylglycerophosphoglycerol*	0.6362	0.6362	0.6362	0.6362	0.6362	2.6318	3.5886	0.6362	1.0311	0.6362	0.9689	0.6362	0.6362	3.6361	1.2489	0.6362	0.8096	0.6362	0.6362	0.6362	0.6362	0.6362	0.9483	0.6362	0.79	0.6362	0.6362	0.6362	0.6362	0.6362	0.6362	0.6362	0.6433	0.6362	0.6362	1.3567	0.6362	0.6362	0.6362	0.6362	0.6362	0.6362	0.6362	0.6362	0.6362
1-oleoylglycerophosphoinositol*	1.28	1.2637	1	1.3598	0.8062	4.3521	6.0719	0.1091	1.1278	0.3578	1.1482	1.1558	1.0374	0.7283	0.9276	0.1439	0.2725	0.1091	0.6775	1.7279	0.3448	0.8231	2.1606	0.6966	1.1054	1.7137	0.7334	0.671	1.0234	0.3445	1.6684	0.4534	2.0806	1.2566	0.7914	5.0815	0.5664	0.3194	2.4863	1.062	0.1091	0.9766	0.6681	1.61	0.6123
1-oleoylplasmenylethanolamine*	0.4503	0.9863	0.7966	0.943	1.4045	1.6593	0.7322	0.1141	0.7968	1.1859	1.4702	1.2958	1	1.556	0.1141	0.2384	1.1608	0.4714	1.6986	0.5596	0.4038	0.2826	2.2623	1.6724	1.0255	1.2203	1.3191	0.994	2.1084	1	3.669	0.6202	2.5933	0.7864	0.938	2.5364	0.843	0.5357	1.5649	1.3919	0.55	0.5865	1.3965	2.2415	0.3763
1-palmitoleoylglycerophosphocholine (16:1)*	1.3008	0.4206	1.2104	0.7134	0.6505	4.1967	3.0784	0.4267	0.832	2.8013	1.4217	0.9771	0.9409	2.1123	1.5726	0.8717	0.9606	0.7498	0.6627	1.1361	1.4569	0.8254	1.1229	0.6832	1.0229	1.6157	2.2472	0.8363	0.4185	0.1621	0.1826	1.0738	1.0457	1.6128	1.2486	1	0.8392	0.9736	1.2526	0.5755	1.4734	0.7185	2.8042	0.5607	1.0374
1-palmitoylglycerol (1-monopalmitin)	0.6201	1.2079	3.3494	0.9509	0.7945	0.9949	0.7903	0.8189	1.1383	1.0745	0.8686	1.3457	0.7956	1.6106	1.0167	0.9419	0.6822	3.331	0.493	2.6241	1.0724	0.9458	2.8632	0.8836	1.0051	0.7096	3.2734	3.4699	0.4677	0.5462	0.8393	0.8043	0.6087	2.8921	3.1744	1.9829	0.5897	0.719	0.6337	1.2027	2.8238	1	5.1465	3.0065	1.3882
1-palmitoylglycerophosphate	0.6673	0.9239	0.2623	1.7417	0.9593	1.6128	0.8048	0.5163	1.5707	0.9271	1.1997	1.896	1.637	0.7582	0.671	0.7339	1.0407	0.1732	1.4981	2.0454	1.1856	0.8527	2.0252	0.7009	1.5403	1.2103	1.2186	0.2971	1.1203	0.4042	1.8986	0.3834	1.4401	1.0058	1	0.9767	1.6509	1.4537	1.4764	1.3915	0.3685	0.9401	0.7005	0.7423	0.7692
1-palmitoylglycerophosphocholine (16:0)	1.2696	0.8001	1.1859	0.9872	1.1377	1.103	0.8765	0.5986	1.1761	1.578	0.8628	1.083	0.9184	0.9938	0.6441	0.8114	1.0062	0.8815	0.67	1.1541	1.0482	0.7148	1.2765	0.8007	1.2675	1.2039	1.9706	0.9247	0.5773	0.267	0.5202	1.2806	1.0892	1.1025	1.022	0.8114	0.9109	1.174	1	0.4917	1.4884	1.1308	1.2521	0.5872	0.8914
1-palmitoylglycerophosphoethanolamine	0.6921	0.4381	0.5139	0.5488	0.6557	1.9397	0.8462	0.3998	1.1018	0.9707	1.5339	1.0293	2.6237	1.8086	0.8285	0.5012	1.2292	0.5209	1.0621	1.9015	1.2421	0.6704	1.4447	0.6842	1.2848	1.1466	1.4807	0.8488	0.733	0.2448	1.1788	0.9523	1.3594	1.048	1.2748	1.5185	1.0718	1.1788	1.5161	0.862	0.4355	0.8734	0.8865	0.4473	1
1-palmitoylglycerophosphoglycerol*	0.6055	0.6055	0.6055	0.6055	0.8634	0.6055	0.6055	0.6055	1.9417	0.6055	0.7105	0.6055	3.536	0.6055	0.6055	0.6055	1.3124	0.6055	0.6055	1.4547	0.6055	0.6055	0.6884	0.6055	0.6055	1.1366	0.7431	0.6055	0.7551	0.6055	0.6585	0.6055	1.3337	0.6055	1.1272	0.8102	1.4815	1.2643	0.6055	0.8728	0.6055	0.6055	0.6055	0.6055	0.6055
1-palmitoylglycerophosphoinositol*	1.322	1	0.2168	0.7463	0.4309	3.351	0.5058	0.2168	0.6169	0.5414	2.9462	1.1269	1.1912	0.8092	0.2168	0.2168	0.2899	0.5341	0.7895	2.2216	0.2168	0.5782	2.2462	0.2168	1.7837	2.849	1.9241	0.2168	2.3466	0.2168	1.2468	0.985	2.0154	0.8111	0.2168	2.1917	0.9591	0.5728	2.1978	1.8628	0.2168	1.015	0.3988	0.2168	0.5649
1-palmitoylplasmenylethanolamine*	0.8367	0.8288	0.3963	0.959	1.1378	0.978	0.4892	0.4988	1.0899	0.9744	1.338	1.2216	1.4839	1.4415	0.2985	0.4989	1.2963	0.5785	1.262	1.1871	0.7518	0.56	1.6376	1.022	0.805	1.4361	1.3234	1.0866	1.2685	0.3448	2.0616	1.168	1.5586	0.8284	0.8205	1.2501	1.0926	1	1.6148	1.1712	0.5667	0.9415	0.7173	0.9828	0.8098
1-pentadecanoylglycerophosphocholine (15:0)*	0.8155	0.5893	1.1866	1.0172	1.025	0.5981	0.4234	0.5456	1.2147	2.917	1.6609	0.9336	0.7997	2.0952	1.216	0.9627	0.8976	0.9828	0.5654	1.822	1.8728	0.7394	1.3625	1.2629	1.3773	0.935	2.2874	0.5861	1	0.1869	0.3998	1.8507	1.2024	1.12	1.0125	0.4654	0.7384	1.1147	0.5086	1.0766	1.6213	1.2696	0.8613	0.8499	0.7277
1-stearoylglycerophosphocholine (18:0)	1.0033	0.5091	1.3598	0.8259	1.0006	0.7697	0.5428	0.6104	1.2579	1.163	0.759	1.2995	0.8995	0.9449	0.7122	1.0421	0.9803	1.1344	0.7319	1.0341	1.0853	0.9163	1.2963	0.9601	1.1207	0.9994	1.5183	1.0928	0.7668	0.269	0.5269	1.2835	1.1936	1	1.1021	0.823	0.9404	1.0089	1.032	0.5786	1.2508	1.1531	1.0804	0.6422	0.7182
1-stearoylglycerophosphoethanolamine	0.7622	0.454	0.9257	0.8293	0.8573	2.585	0.9166	0.5974	0.9623	0.7977	2.2561	1.7878	2.5254	0.7132	0.9573	0.7814	1.1591	1.327	1.632	2.5327	1.3544	1.1164	1.971	0.8608	1.6956	0.9059	1.2372	1.0377	0.7963	0.2956	1.2633	1.0432	1	1.0873	1.5651	1.6451	0.8194	0.6011	1.816	0.7446	0.7035	1.0127	1.017	0.6235	0.7974
1-stearoylglycerophosphoinositol	0.5909	0.5713	0.0782	0.4634	0.5672	2.4628	1.5648	0.4828	0.9643	1.2697	1.713	1.4878	1.5648	1.4516	1.2142	0.6678	0.9718	0.331	1.7809	1.3799	0.5507	1.0873	1.1456	0.763	0.9949	1.7874	1.0051	0.509	0.8938	0.0962	1.8722	0.824	2.0607	1	1.0282	1.5977	0.8475	1.2032	1.8519	1.0394	0.2073	0.9375	0.7219	0.822	1.1618
21-hydroxypregnenolone disulfate	2.5376	0.5761	0.6852	2.4417	1.0326	1.5051	0.9675	0.325	0.757	0.6593	0.7036	0.2146	0.1257	0.1104	0.7078	0.5727	1.5381	0.5689	0.817	2.8384	2.8985	1.0325	1.332	2.9499	3.8447	2.2527	2.1103	1.7663	2.0403	0.7024	1.3903	0.7786	1.5996	0.7973	0.6587	1.2943	1.373	1.5557	0.7837	0.5001	1.3163	1.0169	0.5623	0.9063	1
2-aminoadipate	0.9506	0.9776	0.2653	1.2293	0.5409	0.8344	3.1459	1.0123	1.8997	1.1172	2.7033	1.2008	1.8715	2.7288	1.6121	0.9336	1.1516	0.6633	0.5296	0.7698	0.5794	0.6913	1.0623	0.2569	0.6595	1.5664	1.1264	0.9877	1.7216	0.2936	1.211	1.0116	1	1.0658	1.0681	0.2989	0.7345	0.8805	2.3553	1.0174	0.2535	0.8612	1.1291	0.8392	0.7478
2-aminobutyrate	1.0064	0.8618	0.8416	1.306	0.8017	1.0173	0.6412	1.295	1.181	0.6984	1.1509	1.6413	2.4959	1.3723	1.7235	1.2368	1.4395	0.7752	0.9936	0.677	0.8657	1.0637	0.944	0.9505	0.6487	0.6692	1.0792	0.9831	0.7753	0.7779	1.6275	1.031	1.6775	1.6177	1	0.8776	0.8458	1.1325	1.386	1.2341	0.7198	0.7422	0.9095	1.107	0.9244
2-aminoheptanoate	1.0924	1.552	1.3133	1.1949	1.5133	0.313	0.2829	0.3379	0.8297	0.6724	0.7165	0.8548	1.0857	0.8612	0.9143	1.3938	1.9945	0.8351	1.5135	1.8851	0.5932	1.2688	0.8298	0.7671	0.6639	1.9463	1.8903	1.7226	1	0.7292	2.6213	0.4483	1.5715	1.1685	0.9354	2.4355	1.5535	1.337	0.7058	0.6917	0.8071	1.7518	0.2252	0.4335	1.1011
2-aminooctanoate	1.3543	0.8143	3.4923	2.1787	2.0291	0.6368	0.5483	2.5292	2.9577	0.6108	0.9091	0.6983	0.735	1.2705	1.689	0.5467	0.3141	0.5922	2.2331	1.4121	0.4809	1.0909	0.6762	0.4575	0.1993	1.9208	3.5315	1.9557	0.7501	0.6545	4.5598	0.9184	3.0212	2.4226	1.7311	1.0504	0.5406	1	1.5644	1.9375	0.9147	6.0338	0.1556	0.2084	0.3095
2-aminophenol sulfate	0.3892	0.5899	1.7728	0.3892	1.2641	0.3892	0.3892	0.3892	0.3892	0.3892	0.3892	1	2.2271	0.3892	0.3892	0.3892	0.8775	0.3892	0.3892	0.5815	0.3892	0.3892	0.3892	0.3892	0.7133	3.5918	1.8796	0.3892	0.3892	0.3892	0.3892	0.3892	0.3892	0.3892	0.3892	0.3892	1.4151	0.3892	0.3892	0.3892	0.3892	0.5849	0.3892	0.3892	0.3892
2-arachidonoylglycerophosphocholine*	0.8412	1.0159	1.1187	1.0091	0.9972	0.656	0.7685	0.6999	1.0794	1.4716	0.9637	1.294	1.0028	1.3205	1.1314	0.569	1.1	0.6981	0.6303	0.9307	0.8501	0.665	0.7939	0.8621	1.2181	1.5684	1.6333	1.0234	1.1985	0.5074	0.7445	0.8805	2.6346	1.4684	1.8872	0.6245	1.1243	1	1.4347	0.8093	1.0124	1.1452	0.7829	0.9028	0.8947
2-arachidonoylglycerophosphoethanolamine*	0.5311	0.3626	0.4657	0.9388	0.823	1.4237	1.1146	0.8209	1.2454	0.7355	1.4785	1.1276	1.5813	1.4278	0.9865	0.6501	1.1846	0.4978	1.2055	0.7861	1.044	1.1873	1.0268	0.9571	0.8066	1.4213	1.0058	0.9942	0.3519	0.3519	0.9595	0.572	1.4181	1.1629	2.0515	1.5889	1.0405	0.7655	1.3494	1.1645	0.3591	0.9504	0.3649	1.1054	0.8703
2-docosahexaenoylglycerophosphocholine*	0.5298	0.7515	1.0822	0.7387	0.929	0.6359	0.9828	0.8133	0.9721	1.272	0.8404	2.0984	1.5863	1.0948	0.8656	0.6599	1.4354	0.826	0.5362	1.3264	1.3279	1.0172	1.305	1.4075	2.4555	1.0213	1.3671	0.7431	1.2149	0.6052	1.2338	0.6107	2.3649	1.8892	1.7885	0.8594	1.3467	0.7727	1.2885	0.8091	0.83	1.3487	0.65	0.8058	1
2-docosahexaenoylglycerophosphoethanolamine*	0.5094	0.2584	0.5401	0.7065	0.437	1.9121	1.0087	0.7301	1.034	0.9704	0.8927	2.5127	1.9135	1.4413	0.8276	0.693	1.2059	0.474	0.7935	1.9401	1.4295	0.9913	1.3796	1.4528	1.8815	1.338	1.0263	0.5831	0.3502	0.5716	1.4367	0.5399	1.0774	1.7608	2.232	1.649	0.8731	0.8615	1.0351	1.6054	0.3902	0.7077	0.7226	1	1.2146
2-docosapentaenoylglycerophosphocholine (22:5n3)*	0.1562	0.7476	0.8745	0.2898	1.1218	0.4629	1.5313	0.1562	1.131	2.0705	1.8048	0.1562	0.7154	0.5055	0.3672	0.3636	0.8782	0.8317	0.7416	1.4747	1.6249	0.1562	0.1562	2.765	1.9182	0.1562	2.9944	1.1919	0.8139	0.1562	0.7194	0.9729	1.8861	1.6419	1.8662	0.8531	0.1562	0.5637	1.3897	0.7767	1.1521	1.3478	1.0571	1.0271	0.585
2-eicosatrienoylglycerophosphocholine*	0.9924	0.6894	0.7878	0.955	1.0766	0.7074	0.7912	0.5867	1.2512	1.6176	1.019	1.2906	1.0241	1.0437	1.0076	0.6302	0.8048	0.7701	0.4728	1.2449	1.2201	0.8363	1.0942	0.5979	1.0759	1.8305	1.161	0.7727	1	0.1794	0.3253	1.5175	1.3903	0.9065	1.3162	0.6371	1.1952	1.017	1.1539	0.7389	0.9918	1.3704	1.0309	0.8415	0.7112
2-ethylhexanoate	0.9588	0.9748	1.0451	0.9874	0.8808	1.0566	1.0724	0.8814	1.0497	0.9897	0.9766	1.1912	1.0893	1.0451	1.1221	0.6241	1.0759	0.8923	1.0103	1.0809	0.8568	0.8991	1.1155	1.0235	0.9712	1.133	0.9162	0.9119	1.1181	0.8191	1.0314	1.092	1.0913	0.99	0.926	1.0086	1.1238	0.8574	1	0.9408	0.9004	1.0371	0.8311	0.968	1.0077
2-ethylphenylsulfate	0.1738	0.1738	0.1738	0.1738	0.1738	0.1738	0.1738	0.1738	0.1738	0.1738	0.1738	0.1738	0.1738	0.1738	1	0.1738	0.1738	0.1738	0.1738	0.1738	0.1738	0.1738	1.7431	1.5466	0.7582	0.1738	0.1738	0.1738	0.1738	0.1738	0.1738	0.1738	0.1738	1	0.1738	3.6387	0.1738	0.1738	0.1738	0.1738	0.1738	0.1738	0.4499	0.4272	1.3819
2-hydroxy-3-methylvalerate	1.2911	1.6386	1.1586	0.7217	1.4479	0.144	7.5981	0.7861	2.1991	0.4647	0.8266	0.7775	1.0999	2.4387	1.5847	0.9491	1.3476	0.9699	0.637	0.5555	1.0103	0.9744	0.7462	0.5804	1.056	1.5905	0.9897	1.6734	0.5339	0.5384	1.0719	1.1866	0.7238	1.1273	0.8329	1.1118	1	0.6326	5.4832	1.2328	0.5544	0.6376	2.2998	0.7133	1.2719
2-hydroxyacetaminophen sulfate*	0.3962	1.6038	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	0.3962	1	0.3962	0.3962	0.3962
2-hydroxybutyrate (AHB)	0.8839	0.755	0.4592	2.3078	0.837	5.0654	5.3279	1.8009	1.1341	0.8118	0.941	2.9931	3.952	1.829	2.5838	1.268	1.5258	0.7132	1.0569	0.5084	0.944	1.065	1.056	0.6593	0.8749	0.6553	0.6655	0.795	1.032	0.7419	1.2597	1	1.088	0.8934	1.089	1.4218	0.801	0.6625	1.1725	1.1772	0.601	0.541	0.7596	1.2759	0.5766
2-hydroxydecanoate	0.9779	1.9264	1.9475	1.0172	2.9958	0.441	0.4406	0.4685	0.9714	0.5898	0.6828	0.817	2.9306	0.9123	0.845	1.5125	0.8907	1.0481	1.2739	1.614	0.6933	0.8761	1.6508	2.758	2.0677	0.9828	1.691	2.4102	0.4936	0.4824	1.6132	0.5807	2.2805	1.5959	2.2933	0.8296	0.8161	1	1.4059	1.3091	0.7157	1.2072	0.4756	0.568	1.3141
2-hydroxyglutarate	2.4314	1.2902	0.7434	0.7394	1.3864	2.4213	0.797	0.5143	0.9991	1.0009	1.7609	0.6437	1.5686	1.2622	1.3776	0.5143	0.9877	0.5143	0.6456	0.858	0.5295	0.702	1.0073	1.088	0.9869	1.4567	0.9774	1.0178	1.7557	0.5143	1.3475	1.5594	0.8372	0.9629	0.6649	1.0212	0.5143	1.4588	1.5049	0.6734	0.7308	0.6759	0.9788	0.5143	2.0957
2-hydroxyhippurate (salicylurate)	2.1348	0.3855	1.4535	0.118	0.4121	4.0155	0.118	0.4591	1.5161	1.2929	0.9188	0.5512	6.5548	6.6561	0.7975	1.0039	0.4191	1.659	1	1.7467	0.3908	0.5014	0.118	0.118	1.1335	0.7533	0.4988	2.8065	0.7209	0.118	0.407	0.333	6.5686	2.8383	0.8764	0.3585	0.118	1.349	0.3669	1.0337	6.3327	1	0.118	0.118	1.0955
2-hydroxyisobutyrate	0.9763	0.9372	0.6296	1.2138	0.9436	1.2605	1.0866	1.0056	0.8735	1.5823	1.5543	1.1983	2.3387	1.7618	1.3922	0.5274	0.8827	0.9944	0.9782	1.4236	0.4051	1.2521	1.1206	0.9461	0.971	0.4768	1.1246	0.7011	0.6365	0.4051	2.0589	0.6602	1.2055	1.0214	1.1729	1.1572	0.4051	0.7574	0.9389	1.3452	0.719	1.2382	0.6132	0.8324	1
2-hydroxyoctanoate	1.5657	1.0355	3.1286	1.1628	1.1871	0.4729	0.3908	1.0501	1.2113	0.2856	0.6391	0.6536	0.9956	0.9933	1.0785	0.7309	0.2728	0.8088	1.6989	0.9664	0.7224	0.8283	0.815	1.1315	1.0044	1.1935	1.5712	3.5516	0.5339	0.4301	2.2572	0.5987	1.5257	1.0875	1.0013	0.63	0.437	1.3144	1.4678	1	1.1643	1.8052	0.5385	0.3891	0.724
2-hydroxypalmitate	1.08	0.9227	0.6455	0.7902	0.6778	1.2696	1.3902	0.6728	1.0002	1.1611	1.0335	1.4616	2.3879	1.1851	1.1821	0.6016	0.9998	0.6662	0.7787	1.0403	0.9524	1.2212	1.1085	0.6253	0.88	1.1516	0.8793	0.7641	1.5036	0.6182	1.268	1.2116	1.3762	1.5825	0.9392	0.7174	1	0.5872	1.683	1.2458	0.5539	1.0138	0.9104	0.4884	0.9921
2-hydroxystearate	0.7663	0.8369	0.6167	0.7543	0.4993	1.2346	0.9687	0.7819	1.2578	1.5084	1.197	1.8433	2.0458	1.1152	1.1018	0.7781	1.1087	0.6619	0.8548	1.3681	1.0455	1.1455	1.1163	0.904	1.0126	0.9004	0.9874	0.8109	1.1436	0.6455	1.0901	1.3056	1.3968	1.0262	0.8433	0.908	1.114	0.6476	1.6527	1.0699	0.6214	0.8879	0.8658	0.6932	1
2-isopropylmalate	0.6245	0.9921	1.4372	1.0623	0.4861	1.8568	0.0744	0.5864	1.467	0.0744	1.553	0.4918	0.0814	1.0306	0.6718	0.0744	1.3298	1.0056	1.3435	0.9944	0.5978	0.5237	1.576	1.5825	1.9881	0.5254	0.9199	1.389	0.3773	0.0744	1.9476	0.0744	1	0.3597	0.9246	2.3013	0.7534	1.4815	1.1529	1.9529	0.2195	1.2451	0.2596	2.485	0.8261
2-linolenoylglycerophosphocholine(18:3n3)*	0.3999	0.1894	0.1894	0.1894	1.8979	2.9869	1.1479	0.1894	1.0626	2.3199	2.5819	0.1894	0.4592	0.1894	0.4221	0.5245	0.1894	0.1894	0.1894	0.1894	0.656	0.1894	0.9319	0.704	1.491	1	3.5637	0.4782	0.1894	0.1894	0.1894	1.0017	0.9133	1.0904	1.7001	1	0.7787	0.1894	3.0158	0.1894	0.1894	0.1894	3.552	0.4314	0.8245
2-linoleoylglycerophosphocholine*	1.056	0.7126	2.2682	0.9949	1.2126	0.7513	0.8688	0.6862	1.2026	1.0051	0.7985	1.1438	0.9215	0.6593	0.6926	0.7764	0.8907	0.7973	1.0218	1.1325	1.0595	0.8507	1.9708	0.7503	1.8243	1.2489	2.4758	1.9378	1.0956	0.2729	1.0116	0.8244	2.0098	0.7159	1.3831	0.7555	0.8021	1.1541	1.1655	0.5326	1.046	1.7322	1	0.6528	0.7169
2-linoleoylglycerophosphoethanolamine*	0.8923	0.0949	1.2466	0.7186	0.9999	2.4637	1.0451	0.4114	1.2517	0.2292	1.214	1.0585	2.0453	1.0001	0.575	0.4489	0.6442	0.1563	0.6986	1.8137	0.7672	0.7539	2.7401	0.6691	1.829	1.3066	1.9221	3.0052	0.5517	0.0949	2.0374	1.17	1.0508	0.5306	1.7184	2.9413	0.8579	1.1429	1.6302	0.6427	0.2976	2.2855	0.9492	0.7109	0.5319
2-methoxyacetaminophen sulfate*	0.5207	0.6871	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	1.3129	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	0.5207	1.4793	0.5207	0.5207	0.5207
2-methylbutyrylcarnitine (C5)	0.6726	1.6285	0.8085	0.6735	0.8349	1.2674	1.0782	0.9327	1.9945	0.61	1.1859	0.7194	2.0209	2.1367	1.8346	1.0885	0.7843	0.7425	0.4775	0.6787	1.4841	0.5688	1.0275	0.8307	0.9725	1.4465	1.3878	1.4532	0.5882	0.1078	1.1528	1.2292	1.3854	1.0268	1.2905	0.5011	0.7685	1.3177	1.1252	1	1.0753	0.543	0.8332	0.9457	0.6951
2-myristoylglycerophosphocholine*	1	0.3747	0.5887	0.4513	1.0902	1.9166	1.0063	0.0968	1.2133	2.5652	1.0102	0.577	1.2594	0.0968	0.7249	0.625	0.933	0.3528	0.0968	1.0914	2.4922	0.0968	0.6773	0.6252	0.4891	1.339	2.2735	0.0968	0.8852	0.1894	0.0968	1.5143	1.263	0.0968	1.9419	0.3717	0.8588	1.5535	1.1883	0.2023	1.0352	0.0968	2.4673	0.747	1
2-oleoylglycerol (2-monoolein)	0.141	0.5308	2.0622	0.1851	0.141	0.1431	0.141	0.2132	0.649	0.6314	0.141	1.4116	0.6616	1.3238	0.141	0.141	0.141	2.8172	0.141	1.4863	1.0141	1	3.0975	0.9611	0.4617	0.141	2.5067	3.2102	0.141	0.141	0.141	0.141	0.141	0.141	1.5676	0.141	0.141	0.141	0.141	0.141	0.4324	0.141	2.0405	0.141	0.141
2-oleoylglycerophosphocholine*	1.6094	0.7456	1.483	0.9514	0.9845	1.6201	2.2709	0.5594	1.0905	1.6119	0.7416	0.8965	0.9828	1.4764	0.9643	0.519	0.9411	0.7051	0.7257	1.0155	1.1739	0.613	1.5162	0.7684	1.2278	1.5394	1.968	1.3076	0.5651	0.2257	0.5025	0.8412	1.1473	1.3378	1.0033	1.1197	1.0278	0.7561	1.1245	0.5504	1.111	1	1.7823	0.7848	0.8902
2-oleoylglycerophosphoethanolamine*	0.963	0.4121	0.7021	1.0359	1.0715	3.3074	2.0784	0.2954	0.8314	0.5502	1.4224	0.7438	1.8289	1.0586	0.2815	0.2488	0.5696	0.1222	0.9641	2.0036	1.171	0.6894	3.3478	0.7395	1.7811	1.6945	1.4729	2.3414	0.87	0.1222	1.6886	0.8101	0.91	0.5673	2.0652	2.1669	0.7905	1.3999	2.3425	0.6551	0.3374	1.5268	2.0209	0.9235	1.0765
2-palmitoleoylglycerophosphocholine*	1.3473	0.5212	0.9784	0.1542	0.8223	4.0708	3.6327	0.2518	0.6926	2.8718	1.5135	1.0216	1.1319	1.9346	1.762	0.9271	0.9535	0.6309	0.574	1.2088	1.6268	0.958	1.1852	0.198	0.9536	1.914	2.0377	0.8204	0.4264	0.1635	0.1261	0.9266	1.4042	1.5315	1.5748	1	0.65	1.132	1.4348	0.5011	1.6897	0.598	2.6645	0.4472	1.1765
2-palmitoylglycerophosphocholine*	1.0604	0.7678	1.1813	1.024	1.0986	1.0338	0.6423	0.6448	1.2598	1.6826	0.9097	1.1905	0.976	1.09	0.6376	0.851	0.9057	0.7045	0.7752	1.1585	1.3982	0.6884	1.3365	0.7902	0.9711	1.2041	1.8946	0.7373	0.5554	0.22	0.4411	1.1486	1.0957	1.0613	1.1493	0.6235	0.7736	1.1179	1	0.593	1.2706	1.0069	1.3358	0.6305	0.8382
2-palmitoylglycerophosphoethanolamine*	0.664	0.2476	0.4601	0.4705	0.5282	2.1611	0.8429	0.3171	0.9414	0.8395	2.0528	1.1624	2.4329	1.4615	1.0452	0.7576	1.1507	0.5648	1.2844	2.063	1.4395	0.9548	1.3253	0.7219	1.1479	1.1618	1.6886	0.9493	0.6561	0.113	1.3731	0.8335	1.2505	1.2488	1.4998	1.9659	0.8703	1.188	1.6165	0.9139	0.3689	1.0096	0.8899	0.4202	1
2-piperidinone	3.6114	1.2719	0.7347	1.0418	1.5478	5.8594	1.6205	0.6323	0.74	0.8555	2.7719	0.5352	0.8772	1.0764	1.693	1.1455	2.1205	0.8464	0.9582	0.7331	0.8524	0.8869	1.2886	1.0908	0.6171	0.4351	0.4718	1.1505	0.655	0.5403	0.7314	1.7654	0.5523	2.0714	3.2096	11.4656	1.0212	0.7785	1.6448	0.9014	0.6498	0.6395	5.3717	1	1.2813
2-stearoylglycerophosphocholine*	1.0174	0.5186	1.1312	0.8384	1.1392	0.797	0.6565	0.6695	1.3566	1.2101	0.7874	1.3582	1.0057	0.8759	0.7004	0.9268	0.9943	0.9572	0.7722	1.0629	1.2581	0.8606	1.2065	1.0886	1.3818	1.0317	1.5156	0.8868	0.6003	0.198	0.5902	1.3662	1.1373	1.2851	1.5086	1	1.027	0.8878	1.0377	0.7309	1.5804	0.95	1.3078	0.8146	0.9325
2-stearoylglycerophosphoethanolamine*	0.7382	0.4329	0.4412	0.208	0.8291	2.2027	1.083	0.4658	1.4487	0.9412	1.7175	1.3007	2.9686	2.2903	0.236	0.3468	0.9908	0.9573	1.2004	1.9555	1.1318	1.0092	1.875	1.1008	1.1231	0.9541	0.834	0.8197	0.9126	0.2486	1.2272	0.9265	1.1597	0.9106	1.7684	1.9991	1.0497	0.6948	2.0637	1	0.3398	1.0458	1.0065	0.5766	0.9783
3-(4-hydroxyphenyl)lactate	1.0119	1.1402	0.783	0.9881	1.1271	2.1044	1.7062	0.6583	1.0957	0.7287	0.8286	1.2127	1.4036	1.4001	2.0221	0.7678	1.1609	0.5794	0.8586	0.5758	0.6685	0.7056	0.853	0.5713	0.7773	1.4556	1.2564	1.9062	1.3363	0.2653	1.0969	0.7115	1.3155	1	1.0864	0.9804	0.7172	1.0191	2.8035	0.7747	0.4353	0.7639	1.5354	0.7686	1.058
3-(N-acetyl-L-cystein-S-yl) acetaminophen	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	1.2115	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	1.0152	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.7885	0.9848	0.7885	0.7885	0.7885
3-[3-(sulfooxy)phenyl]propanoic acid*	0.3819	0.6189	0.3819	0.3819	0.3819	1	0.4983	0.3819	1.2828	0.3819	3.058	0.3819	0.3819	0.3819	0.3819	0.3819	0.3819	0.3819	0.3819	0.3819	0.3819	0.3819	0.3819	0.3819	0.3819	0.3819	1.561	0.3819	1	0.3819	0.3819	0.3819	0.3819	0.5396	1.6185	0.3819	0.3819	0.3819	0.3819	0.3819	0.3819	0.3819	0.9559	0.3819	1.3186
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)	0.1186	0.1192	0.7337	0.4403	0.5576	2.0485	1.7085	1.7927	3.1337	0.1086	0.1375	2.6811	6.6653	1.0765	0.8536	0.48	0.4302	1.0614	0.9145	0.9651	1.3711	1.4872	2.6412	2.6784	3.4325	0.0719	1.0349	0.5377	0.2541	0.2895	3.8139	0.8628	2.3885	4.9258	1.8056	1.2226	0.7119	0.5346	1	1.8313	0.7431	1.7788	0.2661	2.9457	0.5836
3-ethylphenylsulfate	0.2571	1	0.2571	0.2571	0.2571	0.2571	0.2571	0.2571	0.2571	0.2571	0.2571	0.2571	0.2571	0.317	1.1914	0.2571	0.2571	0.2571	0.6442	0.2571	0.2571	0.2571	0.2571	1.3163	4.3978	0.2571	0.2571	0.2571	0.2571	0.2571	0.5186	0.2571	1.1233	1.7403	0.2571	3.3047	0.2571	0.3946	0.2571	0.2571	0.2571	0.3766	0.3211	1.7557	1
3-hydroxy-2-ethylpropionate	0.7718	0.0731	0.0731	0.8983	0.1836	2.5879	2.8281	1.1292	1.7227	2.257	2.0279	1.5637	1.7145	2.3163	1.9096	0.7664	0.9452	0.2812	0.9033	0.0731	0.7169	0.8685	0.0731	1	1.6247	0.9751	0.6307	1.1341	0.1483	0.0731	1.19	0.4923	1.291	0.8885	1.3106	1.0867	0.9133	1.1996	0.7751	1.1969	1.3083	0.5242	0.66	1.6625	0.8664
3-hydroxybutyrate (BHBA)	1.5003	0.7086	0.718	0.6818	0.5174	3.7617	21.611	1.5937	1.9298	1.7666	0.6354	3.535	3.5137	0.9325	1.0475	0.7624	1.1617	0.7593	0.8659	0.6938	1.0734	2.9392	0.7512	0.5905	1.0138	0.8141	0.9862	1.9399	0.7035	30.8103	1.0984	1.0455	0.466	5.0511	0.6644	1.4679	1.4756	0.8521	0.6636	1.1339	1.7469	0.7124	0.4067	1	0.9753
3-hydroxydecanoate	0.922	1.1011	0.6538	0.8223	0.6771	1.0816	4.3809	1.0347	0.6557	1.2247	0.5565	2.3347	2.1417	1.3691	1.126	1.3382	0.6854	1.129	0.7934	0.4863	0.9653	1.6659	1.2474	0.8054	0.6831	0.944	0.5489	1.3953	1.3019	3.5044	1.6543	1.1715	0.817	1.331	1.5861	0.603	0.7775	0.546	1.5622	1	0.896	0.5995	0.928	0.9575	8.6041
3-hydroxyhippurate	0.2066	1.8463	4.8391	0.2066	0.9061	0.2066	0.3783	0.2066	2.1016	1.664	0.2066	1.0768	0.6925	1.1659	0.2066	0.5158	0.3185	0.2066	0.2066	0.8592	0.9232	0.2066	0.4135	0.2066	1.7037	3.5521	2.902	0.2066	0.5685	0.2066	0.2066	0.9743	0.3315	2.4608	0.8462	0.2066	0.2066	0.8433	1.2976	3.5981	7.1159	1	1.7562	0.2463	2.124
3-hydroxyisobutyrate	0.8157	0.8779	0.5552	1.2476	0.7979	1.9424	1.7523	1.253	1.8415	0.8237	0.8011	1.2861	2.3233	1.7164	2.1323	0.9648	1.5995	0.6956	0.7655	0.5873	0.947	0.6501	1.5058	0.8824	1.0352	1.1539	0.9299	1.0963	1.6663	0.5595	0.8737	1.0006	1	0.9901	1.1936	1.1213	0.7827	1.1089	1.2187	1.2434	0.8989	0.7446	0.827	1.3322	0.9882
3-hydroxyoctanoate	1.0405	2.1812	1.016	1.437	0.5753	0.9033	3.2986	0.969	0.5665	0.8204	0.7125	2.3333	2.3857	2.1861	1.1747	0.8465	1.2912	0.7585	1.0496	0.6766	0.5588	1.1644	1.8957	0.984	0.9207	0.9706	0.4545	1.9087	0.6493	5.1367	2.1063	1	0.7805	1.8452	1.3319	0.6745	0.5775	0.3505	1.5591	1.0735	0.5642	0.9526	0.5657	1.1493	5.5971
3-hydroxypropanoate	1.1583	1.1289	1.0572	0.6611	0.8011	1.5769	1.6044	0.8242	0.8585	0.9323	0.8307	0.9565	1.0235	0.9929	0.8162	0.9185	0.9595	0.6526	0.7829	1.0815	1.0071	1.1283	0.9748	1.1585	1.1155	1.2459	1.2176	1.0677	1.426	1.2809	0.5847	1.1973	0.7541	0.9861	1.0833	1	0.9469	0.9389	0.9663	1.5727	1.2813	1.0129	0.9421	0.9672	1.3352
3-indoxyl sulfate	2.0587	1.3764	0.2498	1.5072	0.9966	1.0212	0.673	1.1928	0.8106	0.8132	1.1598	0.6714	1.8883	0.6736	2.3445	0.666	2.4921	0.4409	0.373	0.5339	1.0776	0.8204	1.6859	1.0034	1.1602	0.844	1.3869	0.677	1.4535	0.0238	1.7428	1.1618	0.7523	1.7266	2.1061	0.8598	1.6353	0.8137	0.8171	0.9133	0.93	0.8775	1	1.9903	1.0996
3-methoxytyramine sulfate	0.3147	1.1885	0.3147	0.3147	0.3147	0.3147	0.3147	0.3147	0.3147	0.3147	0.3147	0.3147	0.3147	0.3147	0.8115	0.3147	0.3147	0.3147	0.3147	0.394	3.2089	0.3147	0.4577	0.3147	1.7439	0.3147	0.3147	0.3147	0.3147	0.3147	0.3147	0.3147	0.3147	0.3147	0.3147	1.6853	0.3147	0.3147	0.3147	0.3147	0.3147	0.3147	0.3147	0.3147	0.3147
3-methoxytyrosine	1.1829	1.428	0.9336	0.8522	0.9981	0.4061	0.5846	0.8249	1.6952	1.0035	0.9769	0.9086	0.9834	1.9364	1.5032	0.7712	0.5134	1.1937	1.5478	0.7841	1.4058	0.4537	0.5829	1.3308	1.2593	1.9959	1.6016	1.0019	1	0.9441	1.3796	0.7457	1.7515	1.4883	0.8412	1.4878	1.4368	1.3631	1.3892	1.0278	0.7802	0.949	0.5549	0.2241	0.9935
3-methyl catechol sulfate (1)	1	1.7747	0.6747	0.0645	0.3166	0.0645	0.0645	0.3917	1.7334	0.1605	0.9805	0.6403	0.9167	5.5108	13.624	0.1897	0.0645	0.294	7.9762	1.0178	0.9218	0.3114	2.7852	1.4972	13.7544	3.3878	1.3108	5.4241	0.0645	0.0645	1.4698	0.0645	1	1.5545	0.4523	3.1597	0.1276	0.7012	0.5272	0.6418	0.0645	1.4561	1.0321	0.9785	1.0661
3-methyl-2-oxobutyrate	1.0747	1.0097	0.7439	1.0567	0.7431	1.3141	1.2296	0.8244	1.3303	0.9959	0.8869	0.9391	1.8339	1.622	1.3212	0.9076	1.108	0.6707	0.8599	0.6975	0.9579	0.8856	1.1376	0.7837	0.9489	1.0041	1.0589	1.0914	1.1241	0.516	1.4508	1.1354	1.1733	1.0458	0.9893	1.3717	0.8063	1	1.8856	1.2869	0.5951	0.7632	0.9161	0.8462	0.7552
3-methyl-2-oxovalerate	1.5072	0.9426	0.8433	1.0376	0.9363	0.9206	1.7545	0.7686	1.5783	0.9259	1.1074	1.228	2.1308	1.2807	1.0628	1.1789	1.3399	0.8217	1.0062	0.6659	0.9734	0.6653	1.4513	0.7969	0.9938	0.8754	1.3558	0.7603	0.8327	0.4286	1.2869	1.1948	0.9202	1	1.127	0.8861	0.8822	1.0466	2.5223	1.2631	0.6252	0.5405	1.4277	1.0196	0.6631
3-methylglutarylcarnitine (1)	0.2905	2.4314	2.1526	0.7621	0.2905	0.2905	0.8761	0.2905	1.2781	0.3887	0.2905	0.762	2.2414	0.2905	7.6028	0.2905	1.9028	0.2905	0.2905	0.7183	0.864	0.2905	1	0.9144	0.4325	1.3014	2.6706	0.2905	0.2905	0.2905	0.2905	0.2905	1.3459	1.6253	0.2905	1.0648	0.7822	0.2905	0.2905	1	0.2905	0.412	0.2905	0.2905	0.2905
3-methylhistidine	0.4671	1.1124	0.2963	10.3989	1.1048	18.3619	0.772	0.7672	1.7044	0.6769	2.4954	5.9029	1.0891	4.7774	0.6035	2.7933	0.5324	1.6862	0.4379	1.0446	0.2464	0.7575	0.9554	3.9009	0.4524	0.929	1.1625	0.2254	0.4675	0.2254	84.4629	0.9137	3.2405	0.6393	4.4093	10.2334	1.1484	1.0333	1.3164	0.5562	0.6321	0.9667	0.592	2.6011	0.6187
3-phenylpropionate (hydrocinnamate)	0.9935	0.6162	1.3023	0.5611	0.4414	0.5267	0.0715	0.3828	1.3101	1.4857	1.3761	0.5979	0.526	1.0065	0.9841	1.3138	1.1135	0.4163	1.5406	1.3518	1.2896	0.6314	1.3172	0.8535	1.8157	1.1327	0.8106	1.4452	1.8406	0.0533	0.7701	2.155	6.3228	0.7562	3.2824	0.2982	0.6773	1.5355	0.5528	2.2086	1	1.4226	0.5132	0.4014	1.6389
3-ureidopropionate	1.0034	3.1979	0.2705	0.9945	0.2705	4.3832	4.148	0.2705	1.3335	0.9966	1.8833	0.7771	0.6314	1.1617	1.5457	0.2705	3.3386	0.4481	1.1057	0.6981	0.6174	0.3797	1.1069	0.6966	0.7155	0.84	0.9044	1.0861	0.2705	1.54	1.2212	0.2705	1.2626	0.2705	0.2705	2.3823	0.5571	0.3166	1.4263	1	0.2705	0.8881	0.7913	1.0684	0.9005
4-acetamidobutanoate	1.1547	0.6509	0.473	0.9262	0.1133	1.8814	0.1133	1.2421	0.1767	0.8445	2.1801	1.0505	1.8162	1.8697	2.6719	1.1934	0.3929	1.1224	1.2569	0.4826	0.9495	1.2792	0.1133	0.6931	0.3424	0.7651	0.6915	1.3901	1.0081	1.2407	2.2938	0.3132	0.9919	0.7493	0.7321	1.5021	0.1133	0.1706	1.3984	0.3971	1.1758	1.163	0.5899	0.1133	0.1133
4-acetamidophenol	0.0307	1	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	2.3464	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.2753	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	0.0307	1.7247	0.0307	0.0307	0.0307
4-acetaminophen sulfate	0.0042	1.4139	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.5861	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	0.0042	1.9958	0.0042	0.0042	0.0042
4-acetylphenol sulfate	0.3574	0.3461	0.3461	0.3461	0.3461	0.3461	0.3461	0.3461	0.854	0.3461	0.3461	0.3461	0.3461	0.3461	1.0743	0.3461	0.3461	0.3461	0.8319	0.3461	2.4985	0.3461	1	0.3461	22.3892	0.3461	0.3461	1.2384	0.3461	0.3461	0.3461	0.3461	0.6319	1.3742	0.8904	0.3461	0.3461	1.1096	0.3461	0.3461	0.3461	0.3461	0.3461	0.3461	0.3461
4-allylphenol sulfate	4.7771	1.4197	10.8809	0.4054	0.2199	6.0707	0.5336	0.0346	0.8557	0.0346	0.0346	0.1869	1.3908	1.2741	1.0001	8.6869	0.4622	5.1795	0.9999	1.1694	2.6731	2.7822	0.0907	0.6718	0.5495	0.1138	6.3959	0.4005	0.6195	0.0346	0.5517	3.9503	0.4028	9.4298	1.0542	4.1893	0.4335	3.9929	0.2421	8.4156	0.2741	3.4409	0.9458	2.0953	0.1035
4-androsten-3alpha,17alpha-diol monosulfate (2)	3.7904	0.4676	0.0736	3.1105	0.0736	0.6631	0.2846	1.1848	2.4994	0.9435	0.9643	0.0736	0.0736	1.0727	0.6115	1.4584	0.9687	0.4465	0.8039	1.2756	0.5377	0.3584	1.0313	0.2547	1.8849	2.9186	3.0992	1.1637	0.32	0.0736	0.7979	3.2824	2.5546	0.0736	1.2259	0.7775	3.5043	0.6365	1.7664	0.0736	0.6887	1.2021	0.0736	1.2578	0.143
4-androsten-3alpha,17alpha-diol monosulfate (3)	0.4114	0.9981	0.5426	2.3508	0.9195	2.0371	2.1784	0.3977	0.8053	0.8085	0.6407	0.1251	0.1523	1.4353	1.6763	0.6925	1.2269	1.0019	1.1367	1.9089	1.4953	0.8403	0.8713	1.4345	1.2239	2.1691	4.7203	0.686	1.0127	0.1251	0.5549	0.9554	1.8543	0.8656	1.538	0.8644	0.664	1.9866	0.9873	2.0818	0.7955	1.1383	1.2532	0.3872	1.1472
4-androsten-3beta,17beta-diol disulfate (1)	2.172	1.0611	0.4701	0.9208	1.4919	17.6194	17.1923	0.6686	1.0836	0.9884	0.7722	0.6481	0.6096	0.2798	0.2117	0.3958	1.1195	0.6132	1.0116	1.6362	1.3371	0.5762	0.5327	0.88	1.0729	3.1606	2.0259	2.5519	0.5186	0.0033	0.2239	0.5453	0.405	1.7019	2.3915	6.9019	0.4739	1.0019	7.1538	0.5867	1.0883	0.531	4.9711	1	1.5076
4-androsten-3beta,17beta-diol disulfate (2)	2.657	0.9609	0.6758	1.3221	0.7572	1.3411	1.4227	0.4361	1.0739	1.05	0.905	0.196	0.1568	0.316	0.4692	0.8317	1.368	0.4217	0.5299	1.2535	1.0391	0.5224	1.0931	0.5508	1.2727	2.7346	1.5845	1.2868	0.6269	0.0678	1	0.8225	1.4252	0.9625	1.2593	1.4307	1.1235	1.4029	2.7222	0.917	2.4987	0.645	1.0737	0.8861	0.4766
4-androsten-3beta,17beta-diol monosulfate (1)	1.0402	0.893	0.2065	1.3218	0.5767	9.5207	8.6323	0.9598	1.593	1.29	1.3691	0.3511	0.3211	0.4225	0.5528	0.7197	0.8776	0.6421	0.7602	3.471	2.6795	0.7794	0.8015	1.6578	1.315	2.3147	1.8755	1.385	1.0262	0.2065	0.742	2.1041	0.8177	0.4601	1.3756	4.0316	0.9738	1.2189	3.9412	1.1779	0.7958	0.5355	1.225	0.7852	0.5635
4-androsten-3beta,17beta-diol monosulfate (2)	2.3019	0.3947	0.2626	1.211	0.2626	9.7535	6.7903	0.9456	1.015	0.9683	1.5483	0.985	0.7283	0.5588	0.2878	0.6831	1.4479	0.4808	1.1626	2.663	1.3947	0.7883	0.8159	0.5414	0.2626	2.017	3.1114	1.8913	0.2626	0.2626	0.3674	1.3835	0.3323	0.8035	1.6002	2.7946	0.867	1.0504	8.9105	0.5046	1	0.4105	6.0597	0.8953	1.0683
4-ethylphenylsulfate	0.2614	1.4444	1.2486	0.3928	0.0567	0.2702	0.0567	1.2546	3.6897	0.9265	0.5065	0.8811	1.9023	0.5074	0.5507	1.4158	0.4158	4.2174	1	8.4792	44.0039	0.8827	4.4294	1.2575	1.2046	0.6868	0.5984	1.0039	0.9817	0.0567	0.4797	1.1444	0.9566	2.9884	9.1728	5.9967	0.1502	0.8745	1.8803	2.5426	0.5151	0.8802	1.0183	0.6571	1.6067
4-guanidinobutanoate	0.484	4.1968	1.9784	0.8462	1.7813	0.3844	1.1213	0.899	1	4.1164	0.6182	1.1738	0.7127	0.6619	0.0139	3.9384	0.8215	0.5335	0.651	4.3789	3.8476	0.2967	1.0313	1.4041	2.5591	0.0139	2.4977	0.6222	0.0139	0.687	0.4082	1.7282	0.0244	2.3449	0.0483	1.3431	0.6494	0.9364	1.2786	1.642	0.3146	0.5078	1.3183	1.0636	4.1767
4-hydroxyhippurate	6.6107	1.2875	0.9884	0.3012	0.1224	1.0461	0.2865	0.1617	1.8265	0.9734	2.3149	0.7595	1.4064	2.2946	12.6027	1.0116	0.9835	0.1224	1.7214	0.1224	0.7473	0.464	0.9782	0.4744	8.091	1.7434	0.9624	8.0668	1.1548	0.1224	4.7667	0.6086	1.2184	1.0979	0.8027	0.7536	0.1224	0.1224	1.7926	0.9021	1.7273	0.4226	0.8879	0.7007	1.1308
4-hydroxyphenylpyruvate	0.2223	1.1303	1.2553	0.2704	0.5172	0.2223	0.8699	0.2223	1.0699	0.7172	0.434	1.0073	1.7036	0.2223	0.7328	0.2223	1.4931	0.2223	0.2223	0.7154	1.858	0.2223	0.9927	0.496	1.4471	1.7239	1.0789	0.2223	0.728	0.2223	0.2223	0.8253	1	0.5463	0.8819	1.5328	0.8832	1.1611	1.5869	1.2289	1.0298	1.6244	0.5236	1.8037	0.7729
4-imidazoleacetate	1.172	1.5033	0.9544	0.2278	0.433	0.7175	0.6998	1.1105	0.6144	1.0084	0.9502	0.7384	1.1271	1.752	1.4732	3.1228	0.9871	0.3961	0.4807	1.4642	2.0206	0.2278	0.5772	0.9916	1.4632	2.554	0.4336	1.1219	0.3733	0.2278	1.1771	1.4292	0.5269	1	1.4647	0.7997	1.0248	0.8621	0.8704	0.8086	0.5602	1.1286	1.3014	1.1497	1.5193
4-methyl-2-oxopentanoate	1.1542	0.8016	0.6986	1.0379	0.7134	1.5166	1.5199	0.8464	1.5227	0.7702	1.0338	0.9662	1.8799	1.1462	1.3637	0.9352	1.7654	0.6459	0.742	0.682	0.8105	0.8269	1.5351	0.6156	0.7044	1.1348	1.1413	1.3471	1.3103	0.5413	1.717	1.3353	0.9793	0.8591	1.3641	0.8382	0.9744	1.3035	2.3987	1.1926	0.693	0.648	1.5382	1	0.9364
4-methylcatechol sulfate	1.4105	0.8176	0.3638	0.3363	0.7214	0.2308	1.1826	0.7088	2.0692	0.8855	0.3285	3.005	1.0202	1.3637	3.5059	0.5439	1.0004	0.2218	1.7562	0.7242	1.2562	2.4279	0.9996	0.7125	1.0784	1.8384	1.1536	0.5902	0.5865	0.2218	0.5805	0.4799	4.9474	0.5036	6.5323	0.5873	0.5892	1.2183	1.1526	4.6021	2.9048	0.8474	1.9957	0.3764	6.5951
4-vinylphenol sulfate	1.7775	1.0021	1.9821	0.4984	0.0856	0.6117	0.1682	1.2957	3.3795	0.45	0.7887	0.5465	0.3922	0.2545	3.873	0.2348	0.226	0.6463	1.3043	1.9077	1.9787	1.0189	0.6772	1.2362	3.0512	1.0072	0.9979	4.9715	0.7282	0.0152	0.6513	0.4573	5.2691	2.6302	5.2346	4.8772	0.5987	0.478	4.396	0.8809	1.3206	1.925	1	0.5283	2.5536
5,6-dihydrothymine	1.5785	1.3727	0.6759	0.7987	1.1209	1.3739	0.7428	1.1913	0.8854	1.013	1.3987	0.9865	1.4738	1.2565	0.987	0.8154	0.895	0.7748	1.2406	1.1438	0.5084	1.3093	0.5413	0.4514	0.8686	1.52	1.0845	0.81	1.2881	0.5481	1.405	1.3057	1.2507	1	1.628	1.0978	0.8657	0.8358	1.4272	0.7607	1.0905	0.9792	0.9017	0.5428	0.4264
5,6-dihydrouracil	2.0795	1.3246	0.542	0.7539	0.9676	1.2683	0.8038	1.0719	1.2141	0.9925	1.2027	1.3019	1.4358	1.4502	1.6202	0.8122	0.9315	0.7925	0.9641	1.3963	0.4497	1.1304	0.5884	0.8614	0.8638	2.1026	1.0075	0.6318	1.4692	0.4876	1	1.5845	1.1452	0.8645	1.0033	1.3527	1.1936	0.5904	1.5189	1.1437	0.7443	0.5321	0.8395	0.7183	0.8713
5-acetylamino-6-amino-3-methyluracil	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	1.372	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	0.628	1	0.628	0.628	0.628
5-acetylamino-6-formylamino-3-methyluracil	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	1.3068	0.6932	0.6932	0.6932	0.6932	0.6932	1	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932	0.6932
5alpha-androstan-3alpha, 17beta-diol-17-glucosiduronate	1.3576	0.4319	0.4319	0.4319	0.4319	0.4319	0.4319	0.4319	1.9245	0.7615	1.2385	0.4319	0.4319	0.4319	0.4319	0.4319	0.4319	0.4319	0.4319	0.4319	0.4319	0.4319	0.4319	0.4319	0.4319	0.4319	0.4319	0.7383	0.4319	0.4319	0.4319	0.6654	0.4319	0.4319	0.4319	0.4319	0.4319	0.4319	1.8941	0.4319	1	0.4319	0.4319	0.4319	0.4319
5alpha-androstan-3alpha,17alpha-diol monosulfate	0.2025	0.2025	0.2025	1.6685	0.2025	0.2025	0.2025	0.2025	0.2025	0.2025	0.2025	0.2025	0.2025	1.8501	0.2025	0.2025	0.2025	0.2025	0.2025	1	0.3022	0.2025	0.4928	0.2025	0.2025	0.2025	3.5026	0.2025	0.2025	0.2025	0.2025	0.2025	0.543	0.2025	0.7406	0.2025	0.2025	1	0.2025	1.5561	0.2025	0.2025	0.2025	2.1578	0.2025
5alpha-androstan-3alpha,17beta-diol disulfate	4.8455	0.4917	1.1689	1.0104	0.8352	3.4191	3.9913	0.283	1.136	0.6581	0.4179	0.2459	0.2459	0.5991	0.9896	0.2459	0.2459	0.2459	0.2459	0.2459	0.2459	0.2459	0.2459	0.2459	0.2459	1.0719	2.552	0.6997	0.2459	0.2459	0.2459	0.3468	0.9965	0.9373	1.3956	1.0753	0.6699	1.0035	2.8689	0.4784	21.6281	0.2459	2.8005	2.0169	0.4768
5alpha-androstan-3alpha,17beta-diol monosulfate (2)	7.516	0.2885	0.1366	1.3054	0.1366	0.9605	0.5515	0.6492	2.9446	0.1366	0.6043	0.1366	0.1366	3.6898	2.061	0.1366	0.1366	0.1366	0.1366	0.1366	0.1366	0.1366	0.1366	0.1366	0.1366	1	2.7715	0.4769	0.1366	0.1366	0.1366	0.5157	1.5326	0.1366	1.0126	0.1366	1	0.1366	0.8727	0.1366	11.4332	0.2971	0.1366	1.8884	0.1366
5alpha-androstan-3beta,17alpha-diol disulfate	0.1821	0.8574	0.6969	1.2344	1.4496	0.3426	0.0899	0.4817	1.13	1.4095	1.2583	0.1345	0.0899	0.7957	1.243	0.7424	0.9491	0.925	0.2733	1.7482	1.5439	1.4485	1	0.0899	0.0899	4.26	2.2765	0.0899	0.1623	0.0899	1.091	0.4447	1.5651	0.909	1.3571	0.1685	0.2131	1.886	0.4356	4.7296	3.7279	0.1698	0.0899	1.8508	1.6525
5alpha-androstan-3beta,17beta-diol disulfate	10.0667	0.8638	1.204	1.9885	1.1362	38.2251	29.7286	0.8156	2.6035	3.5244	2.6748	0.3741	0.6273	2.1897	2.0572	0.4249	0.6267	0.6874	0.5646	0.6557	0.6327	0.5349	0.8225	0.4236	0.662	2.6306	4.3702	2.054	0.0923	0.0923	0.1099	0.5067	0.7206	2.1445	0.9747	2.5278	0.5165	1.0253	2.8146	0.8652	3.2403	0.3617	3.3696	1.0908	1.5749
5alpha-pregnan-3(alpha or beta),20beta-diol disulfate	0.5107	1	0.5107	3.731	0.8558	0.5107	0.5107	0.5107	0.5107	0.9803	0.8105	0.5107	0.5107	0.6107	8.4137	0.5107	6.4565	27.2959	0.5107	0.7287	1.6407	2.4272	37.7877	0.7674	109.7109	0.5107	0.7755	0.5107	43.4258	0.5107	1.4188	0.5107	0.5107	0.6693	0.654	0.5107	1.1654	3.9862	0.5107	0.5107	2.7191	0.5107	0.6002	0.8346	0.8302
5alpha-pregnan-3beta,20alpha-diol disulfate	2.1347	0.9995	0.8712	1.8658	1.0005	0.4817	0.7176	0.1525	0.5233	0.6543	0.6337	0.2125	0.4214	0.6373	2.1368	1.8269	9.1294	11.5485	0.7157	2.4349	1.687	6.368	23.869	2.4007	81.236	3.6911	0.8793	0.9825	21.5462	0.2247	2.1464	0.3659	2.4799	1.0388	1.1171	0.2046	1.3034	2.3482	0.7089	0.9218	5.7387	0.8438	0.3455	0.8604	1
5alpha-pregnan-3beta,20alpha-diol monsulfate (2)	1.7162	0.44	0.5124	1.6384	0.0677	0.0349	0.1681	0.3041	0.8577	0.4064	0.6472	0.0631	0.2045	1.8198	3.9914	1.4945	2.053	11.1069	0.7379	2.3859	2.8295	2.96	19.7113	1.3436	37.8957	1.1423	0.8451	0.3063	15.8378	0.3293	2.7862	0.9921	3.9616	0.2647	0.4725	0.0349	1.9137	1.3819	0.593	1.1359	4.5806	1.0079	0.3164	0.3587	0.5401
5-dodecenoate (12:1n7)	2.6307	1.3403	0.256	0.8196	0.6162	4.7926	10.4707	1.1767	0.6656	3.079	0.486	2.8151	2.9032	1.5646	1.125	1.7043	0.7352	2.2614	0.9113	0.0025	0.8929	3.6794	0.6908	0.4374	0.0719	0.3684	0.3225	1.0887	1	1.4442	0.493	1.5841	0.371	1.1622	0.4411	0.3157	1.1343	0.3346	1.2096	0.3011	1.7633	0.1384	1.2588	0.5643	2.7469
5-hydroxyhexanoate	1.0956	0.7884	1.7948	0.507	0.4437	4.7051	2.2677	0.0623	0.7531	0.7841	1.4249	0.5466	1.6131	0.0623	1.1692	0.0623	1.4944	0.4421	1	0.9335	0.0623	0.0623	0.8179	0.0623	0.0623	1.2127	0.0623	0.0623	0.0623	0.7809	0.9857	0.9898	1.7093	1.2028	1.1468	3.2943	0.0623	0.3828	0.7779	1.1761	0.0623	1	1.1939	0.7233	1.8018
5-hydroxyindoleacetate	1.1314	1.3054	1.7928	0.1927	0.5788	4.1847	0.1619	0.1619	0.4562	0.633	1.4887	0.7795	1.2948	1.2209	4.7199	0.1619	0.923	0.8497	1.1934	0.6276	4.7489	0.3867	5.1399	1.077	4.9975	0.6348	0.7964	0.334	0.8265	0.1619	2.6686	0.4299	1.1308	0.9443	5.2632	1.242	0.2151	0.1619	0.6827	0.5797	0.1619	1	0.1619	5.8639	1.0624
5-methylthioadenosine (MTA)	0.3911	1.1549	0.3911	0.3911	0.3911	0.3911	0.7261	0.3911	1.1827	1.2988	0.3911	0.3911	1.5569	1.0966	3.7054	0.3911	1	0.3911	0.3911	0.3911	0.3911	0.3911	0.3911	0.5256	0.9395	0.4856	0.9198	0.3911	1.003	0.3911	0.3911	0.3911	0.997	0.3911	0.3911	0.3911	0.3911	0.3911	0.3911	0.3911	0.3911	0.3911	0.3911	0.3911	0.3911
5-methyluridine (ribothymidine)	0.719	1.0137	0.7948	1.1854	1.1077	0.7334	0.6704	0.8082	1.2493	0.7595	0.9476	0.9708	1.5944	0.9912	1.172	0.7627	1.1445	0.6281	1.1362	1.086	0.7824	0.8202	1.0416	0.9149	1.0088	1.0591	1.0437	1.0157	1.1138	0.2346	1.0066	0.8316	1	0.9278	0.6819	1.1613	1.0322	1.0169	1.1557	0.8702	0.1252	1.1819	1.0203	0.5951	0.6255
5-oxoproline	1.4636	1.1688	0.2691	0.9681	1.2488	1.669	1.0402	0.8617	0.5676	1.2234	0.6344	0.9888	0.5258	0.7155	0.8194	30.4889	0.4622	0.9964	1.1773	1.2128	30.3463	1.0401	1.1282	0.9424	1.0036	0.7358	1.6012	0.3743	0.5557	1.0998	0.705	1.1185	0.5454	0.9702	0.6845	1.0838	1.1778	1.2833	1.2446	1.1588	0.9148	0.9711	1.1598	0.8677	1
6-oxopiperidine-2-carboxylic acid	1.462	1.0162	0.4359	1.2321	0.2768	0.3888	0.3866	0.5019	1.064	1.5336	2.5009	0.4408	1.3767	2.2544	1.573	0.9838	1.1775	1.7179	0.6359	0.7813	0.3698	0.7212	1.0277	0.4272	0.8221	1.9344	0.6778	1.0769	2.0092	0.548	1.1728	0.9282	1.5315	1.315	0.5586	0.7138	1	0.6164	1.4	1.9526	0.7253	0.7919	1.7941	0.6613	1.502
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)	1.5437	0.9995	1.0678	1.1019	0.8318	1.211	0.5728	0.6401	0.9935	0.7253	1.1449	1.1879	2.3331	2.0342	0.9495	0.7854	0.8269	0.9735	1.0005	1.1387	0.5796	1.1533	0.9376	0.8041	1.2363	1.2793	0.9726	1.4547	1.1093	0.3326	2.3687	0.958	1.4738	1.0602	0.5487	1.2135	0.8922	0.5983	1.4624	1.2072	0.4235	1	1.8611	0.7327	0.6247
7-methylguanine	0.6342	1.3593	0.925	0.9465	0.9935	0.2552	1.4386	0.0814	1.2737	1.0065	0.4404	0.9101	1.6577	1.7237	1.8458	0.2123	1.1112	1.1288	0.1388	1.0182	0.9628	0.0751	1.1898	0.8729	1.0337	1.0626	1.5457	0.3885	1.0781	0.1643	0.0712	1	1.0961	0.8476	1.1974	1.7779	0.9962	0.9735	1.7413	0.9068	0.8709	1.2253	1.0774	0.6661	1.1312
7-methylurate	0.5091	0.5091	0.5091	0.5091	0.5091	0.5091	0.5091	0.5091	0.5091	0.5091	1.4569	0.5091	0.5091	0.5091	0.5091	0.5091	0.5091	0.5091	0.5091	0.5091	0.5091	0.5091	0.5091	0.5091	0.5091	0.5091	0.5431	0.5091	0.5091	0.5091	0.5091	0.5091	0.5091	0.5091	1.5873	0.5091	0.5091	0.5091	1.0984	0.5091	0.5091	1	0.5091	0.5091	0.5562
7-methylxanthine	0.272	0.272	0.272	0.272	0.272	0.272	0.9489	0.272	0.272	0.272	1.0511	0.272	0.272	0.272	0.272	0.272	0.272	0.272	0.272	0.272	0.272	0.272	0.272	0.272	0.272	0.272	1.8773	0.272	0.272	0.272	0.272	0.272	0.9231	0.272	1.2539	0.272	0.272	0.272	1.1523	0.272	0.272	1	0.272	0.272	0.6708
acetoacetate	0.7918	0.7524	0.5494	0.6262	0.507	1.0724	6.863	1.4934	1.0765	0.9161	1.5407	1.2337	2.7897	0.7971	2.0164	0.9538	0.9313	0.7089	0.7331	0.4896	0.6004	1.0462	0.6903	1.1053	1.3171	2.1101	1.2473	2.2863	0.7358	6.9547	1.02	1.0028	1.2934	1.7456	1	0.3517	1.3984	0.411	1.5437	0.649	0.5372	0.8507	0.62	0.962	1.3715
acetylcarnitine	0.4794	1.118	0.698	0.9399	0.7292	1.2178	2.095	0.7331	1.3373	1.146	1.0381	1.7284	2.3675	1.5249	1.0861	0.8409	0.993	0.6051	0.4845	0.9428	0.9904	0.7636	1.0087	0.9023	1.007	0.8327	1.5492	1.3274	0.6097	1.2096	1	0.8891	1.0746	1.75	1.1398	1.8906	0.9618	0.7184	1.3219	1.4206	1.0869	0.48	0.5968	0.8565	0.9674
acisoga	1.1123	1.17	1.2207	0.7768	0.6633	0.7464	0.6221	0.382	0.3613	0.8565	0.4452	0.7751	1.5323	3.036	0.7015	1.3961	1.0128	1.0497	0.6081	1.0339	1.3713	0.9116	0.8573	0.9872	1.1321	1.3192	1.1288	1.8585	1.1509	0.0996	1.8809	1.1715	0.6147	0.8898	1	0.5046	0.7193	1.0505	1.2693	0.7567	0.6934	1.1203	1.2613	0.5665	1.2724
adenosine	0.0673	0.0673	0.0673	0.0673	0.0673	0.0673	0.9917	0.0673	1.6529	4.6294	50.6698	1.2591	0.7244	1.4283	16.4297	0.0673	4.7038	0.6975	0.1061	0.0974	0.0981	1	1.1098	3.19	0.0673	0.6522	0.0673	0.0862	0.4148	3.3012	0.284	1.1358	0.8602	0.694	2.3853	0.0673	1.7437	0.0673	0.799	0.0673	2.1683	1.5437	2.4845	0.8642	0.7835
adenosine 3',5'-cyclic monophosphate (cAMP)	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	1	0.7988	1.1162	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988	0.7988
adenosine 5'-monophosphate (AMP)	0.0398	0.0504	0.0398	0.0398	0.0398	0.0398	0.1663	0.0398	0.0398	0.0398	1.8134	0.0398	0.0398	0.1866	3.8704	0.0398	8.2418	0.0398	0.0398	0.0398	0.0398	0.0398	0.0398	2.7131	0.0398	0.0398	0.0398	0.0398	0.0398	0.0398	0.9291	3.5109	0.65	0.0398	0.7839	0.0398	2.1449	0.0398	1	0.0398	0.0398	6.1006	0.0398	0.0398	0.0398
adrenate (22:4n6)	1.2925	0.0408	0.0408	0.0408	0.3762	0.1182	3.1669	0.0408	1.605	3.3022	0.0408	0.1015	3.3259	1.2256	0.2348	0.0408	0.0408	1.2539	0.0408	0.1767	0.3871	1.383	1.0888	0.0408	0.0408	0.9112	0.0408	0.1621	2.0118	1.7678	0.1851	0.0408	0.3986	0.0408	0.2893	0.0408	3.1728	0.0408	1.364	1.1753	0.6665	0.0408	1.8547	0.1378	0.8247
ADSGEGDFXAEGGGVR*	0.2592	0.2592	0.2592	0.2592	0.2592	2.2176	0.2592	1	0.2592	0.9629	0.2592	10.1178	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592	0.2592
alanine	1.5507	0.6902	0.8118	0.8173	0.829	0.7976	0.6727	0.5243	1.2757	0.6553	1.0016	0.8215	1.4076	1.9198	1.3226	1.6776	1.4978	0.7614	1.0331	1.1163	1.329	0.9984	0.9892	0.9301	0.5552	1.1976	1.2046	1.5424	0.8783	0.3505	1.6738	0.9603	1.4019	1.0048	1	0.9887	1.0505	1.6952	1.0353	0.938	0.9055	1.3527	1.0447	0.8238	0.8318
alanylleucine	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	1.3427	0.1502	0.9101	0.1502	1.0899	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502	0.1502
allantoin	2.9755	1.3462	3.7027	1.274	1.1268	0.9143	0.4915	0.6252	0.7261	1.98	1.0539	0.689	0.9121	1.5285	0.9461	0.7289	1.409	0.8933	0.6971	12.1477	7.6029	0.4947	0.4698	0.3848	0.6098	2.7371	1.429	1.9811	0.4635	0.2301	0.2301	1	0.2301	1.1084	0.2301	0.9191	1.1019	0.9683	1.4191	1.8761	1.0923	0.2301	0.6363	0.9952	1.5216
allo-isoleucine	2.1746	0.5933	0.7235	0.9102	0.8312	2.7897	0.9125	0.4102	1.3199	0.8544	1.0875	0.8821	1.175	1.8021	1.5925	0.4102	1.1407	0.4102	0.4102	0.4102	0.4102	1.1361	0.5204	0.537	0.4102	0.7176	1.6755	1.3825	1.0146	0.4102	0.4102	0.4102	0.7194	1.2712	1.221	0.9854	0.4102	0.4102	0.4102	0.4102	0.4102	0.4102	0.4625	0.4102	0.4102
alpha-hydroxycaproate	0.2494	1.8178	0.865	0.2174	2.5891	0.1412	1.3069	0.1412	1.3259	1.1669	0.1412	0.1412	0.937	0.4452	0.2338	0.2591	1.9185	0.506	0.1412	3.0208	1.0075	0.1412	0.7227	0.2524	1	2.5293	2.2818	0.1412	2.2796	0.6105	0.581	1.9382	1.4582	2.3395	0.7974	5.9778	4.1591	1.87	0.2232	0.9071	0.5675	3.3571	0.1412	1	0.3254
alpha-hydroxyisocaproate	0.0448	1.1735	1	0.0448	0.8556	0.3812	1.8048	0.0448	2.4238	0.8343	0.0777	0.9533	1.4125	1.7054	1.9232	0.0448	2.1625	0.0448	0.0448	0.8462	1.2303	0.2737	1.4732	0.7608	0.84	3.5728	0.0448	0.0448	1.3025	0.0448	0.3673	0.9611	1.0472	0.7402	1.0389	0.4374	1.7749	1.5576	2.5261	1.061	0.6284	0.6026	1.4252	0.8214	0.7506
alpha-hydroxyisovalerate	1.2911	2.2727	0.8573	0.7914	1.3885	10.4035	11.9611	0.8616	2.1947	0.6968	1.0104	0.5789	0.9564	0.0285	2.5568	0.0631	1.2134	0.3335	0.9896	0.6588	0.1366	1.0562	1.1221	0.8357	0.7735	2.4316	1.0475	1.916	0.6589	0.4111	0.4819	1.2062	0.6308	0.8762	1.1637	1.6018	1.3192	0.6842	7.8006	1.1238	0.0285	0.7256	3.1182	0.4851	1.7695
alpha-ketoglutarate	0.8287	0.5089	0.6803	0.797	0.6865	2.3742	1.9206	0.884	1.3083	0.6445	1.3813	1.116	1.8832	1.2874	3.7846	0.7186	0.6202	0.5596	0.7522	1.1846	0.4856	0.7087	0.8756	1.1852	1.3424	3.1219	1.4434	1.6955	1.5407	0.545	1.2961	1.0727	1.1501	0.6792	1.6841	0.8291	0.8089	0.4856	0.6747	0.7444	0.5525	1.1757	1.0326	0.9674	1.3073
alpha-tocopherol	0.9998	0.8442	0.6285	0.703	0.8729	1.2586	0.9713	0.6862	0.9295	0.7596	1.0335	1.2164	1.7733	0.9817	1.0495	0.663	1.0265	1.0192	1.2493	1.41	1.0352	1.069	1.0099	0.8462	0.8784	1.0002	0.8336	1.101	1.8691	0.4856	1.6468	0.986	0.7274	1.9849	1	1.0597	1.2437	0.6763	2.2813	1.6052	0.6	1.2395	0.4074	0.9882	0.9272
andro steroid monosulfate (1)*	0.9754	0.111	0.111	0.111	0.111	0.111	0.111	0.111	0.111	0.111	0.111	0.111	0.111	0.111	0.111	0.111	0.111	0.111	0.111	0.111	0.111	0.111	0.111	0.111	0.111	2.7391	0.111	1.0246	0.111	0.111	0.111	0.111	0.111	0.111	0.111	0.111	1	0.111	0.111	0.111	0.111	0.111	0.111	0.111	0.111
androsterone sulfate	0.2206	0.3449	0.309	1.3026	0.4354	1.1497	1.1258	0.4127	0.7345	1.0623	0.9651	0.1462	0.0957	1.5594	1.4398	0.6503	0.629	0.861	1.0901	1.8814	1.297	1.0349	1.1718	1.4346	1.065	0.7095	4.4887	0.2723	1.0304	0.0957	0.722	1.5686	2.5053	1.7383	1.9088	0.6257	0.5198	2.6555	0.8354	4.0599	0.7367	0.9696	0.8663	0.6503	1.1571
arabinose	0.7402	1.9677	1.027	0.9177	1.1456	1.1546	1.6508	1.1795	0.9611	2.7077	0.8839	0.7695	0.7472	0.6569	0.4875	2.577	0.5848	0.9066	0.6397	2.3106	2.3648	0.973	0.6262	2.5002	3.4007	0.4398	3.6158	1.0508	0.1742	1	0.6834	1.0472	0.344	1.4367	0.1681	1.1254	1.3451	0.5598	1.3019	0.6817	0.7512	0.7868	1.4182	1.3231	3.043
arabonate	1.0634	3.7302	0.8086	0.6225	0.9763	1.42	1.332	0.8872	0.9029	2.3317	1.0078	0.8695	0.9756	0.9922	0.51	2.1441	0.8779	1.2116	0.6855	2.7953	1.6872	1.105	0.7849	1.9125	2.6333	0.3832	2.2731	0.902	0.2946	2.7367	0.6633	2.0312	0.2028	2.0453	0.2028	0.9954	1.5451	1.0046	0.9076	0.9138	0.8465	0.9604	1.14	1.5231	3.2404
arachidate (20:0)	2.6468	2.5186	1.5302	0.4555	2.478	0.3052	4.8093	0.0719	2.3314	2.4052	0.4071	0.6458	3.4057	2.0156	0.3157	0.2561	2.2867	1.2788	0.3414	0.7212	0.25	0.4303	1.5073	2.04	0.4505	2.4603	0.1825	0.2634	1.9445	1.6186	0.4788	0.7575	1.5535	0.5353	0.6304	0.6078	1.9102	1.712	0.6817	1.3868	1.1827	0.5239	1	0.4298	1.6533
arachidonate (20:4n6)	1.1352	0.804	0.8601	0.7278	0.8136	0.8797	2.1477	0.8022	0.8934	2.3832	0.9152	2.1953	3.0482	1.6539	1.1411	1.0359	0.8717	0.8138	0.964	1.0115	1.4215	1.1381	1.055	0.5032	0.865	1.2499	0.9885	1.0237	1.0438	0.581	1.0453	1.2043	1.2002	1.6677	0.9851	1	1.0619	0.6275	1.7756	1.0969	0.9792	0.8548	0.6803	0.5993	0.8273
arginine	1.0032	0.9636	1.0986	0.8592	1.2215	1.0396	1.1861	1.1566	1.0261	1.1165	0.8217	0.9275	0.7744	0.8334	0.0172	1.1935	0.8951	1.0885	1.0137	1.0396	1.1094	0.9968	0.8774	1.1064	0.96	0.0424	0.9267	0.9263	0.0266	1.3595	0.5987	1.1343	0.0512	0.8676	0.026	0.8857	1.0032	1.0575	0.8872	0.8367	1.3322	1	1.0542	1.1333	1.2869
asparagine	1.0371	0.9203	1.2001	0.8443	1.0967	1.0253	1.1256	1.0629	1.0214	1.0093	0.8416	0.9927	0.8236	0.8507	0.0749	1.0319	0.9787	1.0434	0.9317	1.0156	0.9962	1.0038	0.8953	1.108	1.0379	0.0966	0.9635	0.9462	0.057	1.239	0.5997	1.0561	0.0673	0.8834	0.0644	0.9472	1.0398	1.0201	0.8554	0.8626	1.2034	1	1.105	1.2165	1.1458
aspartate	1.0192	0.9917	1.1904	0.8693	1.1361	0.9669	1.1536	1.0028	1.1638	1.2495	0.875	0.9657	0.8661	1.0446	0.034	1.1544	0.9381	1.0081	0.9972	1.0202	1.0872	0.9818	1.1199	1.0921	0.9724	0.058	0.9313	0.9274	0.0439	1.2332	0.6997	1.0196	0.0281	0.9084	0.0247	1	1.0429	1.1314	0.9046	0.8933	1.2298	0.9938	1.0967	1.13	1.1566
aspartylleucine	1.4441	1.3406	1.1319	1.615	1.2062	0.6328	0.1808	0.1808	1.2053	0.7099	0.8701	1.0926	0.7724	0.9765	0.7324	0.1808	1.9851	0.7098	0.1808	0.3397	0.3671	0.1808	0.6179	0.1808	1.0235	2.0461	1.0904	0.7495	1.592	0.1808	1.6857	0.8137	0.9762	1.4343	0.1808	0.1808	0.1808	0.2373	1.2945	1.2893	0.1808	0.4753	0.2437	0.1808	1.0238
azelate (nonanedioate)	0.9128	1.5036	1.1764	1.184	1.1456	1.1541	1.4885	1.1537	0.96	0.8468	1.2449	0.9141	1.8073	1.297	0.9532	0.5209	1.0942	0.8852	0.9653	0.9448	0.6486	1.0176	0.7663	1.2746	0.8886	0.9824	0.9515	2.1606	1.3024	0.6507	0.9882	0.8707	1.1464	1.1647	1.4838	0.9766	1	1.2353	0.6136	1.1866	0.7925	1.1174	0.9879	0.8415	1.6145
benzoate	1.0129	0.6438	0.9223	0.9263	0.9871	1.1501	1.4938	1.0506	0.7352	1.2117	1.1033	1.4057	1.5965	0.7622	1.112	0.9721	0.6978	1.0319	1.3355	1.0278	0.4836	0.897	1.0944	0.597	0.594	0.6504	0.8512	1.1099	1.2904	0.5817	1	1.7396	0.6831	1.3275	1.7468	1.7857	0.6753	0.7121	0.5725	0.9559	1.1115	1.6548	0.9764	1.7963	0.5019
beta-alanine	1.8183	0.8512	0.6055	0.7849	1.1531	1.3678	1.5685	1.2062	1.2886	0.6055	0.886	0.7264	0.9282	1	0.8042	2.3693	0.7191	0.6367	1.4297	0.9843	1.5252	1.4635	0.6095	0.8522	1.1496	1.2184	1.6962	0.7266	0.6055	0.6055	1.3376	0.6055	1.0223	0.6055	0.8026	0.6055	1.0022	0.9978	0.6055	0.6055	0.6055	0.6055	0.6055	0.727	0.6055
beta-hydroxyisovalerate	0.6518	0.9925	0.5293	0.9975	0.6644	1.6392	1.4412	0.6803	1.0025	0.5943	1.0118	0.6955	1.3768	1.41	1.5606	0.6652	1.4656	1.037	0.7852	1.0088	0.8248	0.701	1.2194	0.8328	1.1298	1.3621	0.9594	1.0515	1.3695	0.6108	0.9574	1.2306	1.3045	0.5293	1.3431	1.1133	1	0.5437	1.4211	0.9511	0.5293	0.5293	0.99	0.5293	0.6889
beta-hydroxypyruvate	1.0551	0.9521	1.0117	1.0776	1.1253	0.9044	1.2902	0.9144	0.9501	1.1398	0.7767	0.9047	0.7434	0.9964	0.2064	1.4569	0.7641	1.1375	0.9508	1.3623	1.1236	0.9874	1.0211	1.0175	1.1422	0.3467	0.7953	1.0036	0.2064	0.2064	0.2064	0.7312	0.2064	0.2064	0.2064	0.7139	1	1.0819	0.2064	0.2064	1.0253	0.7479	0.2064	1.0819	0.2064
betaine	1.1243	1.1619	0.8181	0.8381	1.1018	0.5915	0.4818	0.8003	1.3867	0.9201	1.2221	1.2297	1.7081	1.303	1.1436	1.0799	1.3751	0.7449	0.8284	0.6793	0.7546	0.7997	0.7791	0.8069	0.4331	1.6206	1.1647	1.2036	1.2602	0.4873	1.1487	0.7927	1.9106	1.1599	1.045	0.6738	0.8425	1.429	2.0831	1	0.7213	1.2315	0.68	0.6908	0.4242
bilirubin (E,E)*	0.9382	3.5316	0.3242	0.4731	1.0282	0.9895	1.7188	3.7618	5.104	0.9763	1.0994	0.6221	1.1417	1.4515	1.2057	1.2523	1.5318	0.4473	0.2268	1.3355	0.5003	0.7883	0.6514	0.3591	0.4097	0.8299	1.1935	1.0105	1.3548	0.0183	1.1792	1.8248	0.681	1.9093	1	0.7055	1.715	0.7526	1.2783	0.4752	1.1174	1.1159	0.7279	0.33	0.9415
bilirubin (Z,Z)	0.6923	5.8193	0.2504	0.4842	0.9111	1.684	0.8435	3.9002	8.4896	0.7186	2.6132	0.3235	1.2724	2.0211	1.4808	2.8888	3.0659	0.2803	0.22	1.3764	0.5013	0.6065	0.3595	0.3976	0.389	1.5089	1.15	1.0889	2.312	0.1505	0.903	1.097	1.4635	1.4574	2.0115	0.5545	1.5579	0.2531	1.5836	0.7152	0.2492	1.2607	0.504	0.1505	0.7376
biliverdin	0.4516	6.0902	0.1205	0.1205	0.1699	0.1205	0.7481	5.6899	21.1497	0.1205	1.9854	0.1205	0.5948	1.4429	0.1205	6.7286	1.0807	0.1205	0.1205	0.1205	0.8706	0.9193	0.3993	0.1205	0.1205	0.1205	0.5838	3.2839	0.6769	0.1205	0.8391	1.813	0.7384	2.7363	1.1609	0.1205	2.2564	0.1205	1.3288	0.1205	4.0775	0.6471	0.1205	0.1205	0.3476
biotin	0.92	0.9123	1.1617	0.8491	1.1116	1.1518	1.1801	0.9609	1.0356	1.0254	0.7687	0.9699	0.8326	0.8408	0.4574	1.0432	0.8803	1.1673	0.972	1.0217	1.0929	1.0116	1.0209	1.1496	0.9815	0.4574	0.9823	0.9884	0.4574	1.152	0.4574	1.0627	0.4574	0.8546	0.4574	0.9369	0.8971	0.9705	0.877	0.7766	1.2412	1.0295	1.0328	1.1521	1.129
bradykinin, des-arg(9)	1.5926	0.0238	0.0238	0.0238	0.0238	1.4626	0.1242	1.8602	0.0238	2.2381	0.0238	1	1.3306	0.0238	0.0238	0.0238	0.0238	0.4907	0.2017	0.0238	0.1552	0.0238	0.0238	0.0238	0.0238	0.0238	0.0238	0.0238	0.0238	1	15.7402	0.0238	0.5874	0.0238	2.0574	0.2709	0.0238	0.0238	0.0238	0.0781	0.0238	0.0238	0.0238	2.174	0.0238
bradykinin, hydroxy-pro(3)	1.5226	0.5255	0.5255	0.5255	0.5255	0.8916	9.2361	0.5255	0.5255	0.5255	0.5999	0.5255	1.1084	0.5255	0.5255	0.5255	0.5255	0.5255	0.5255	0.5255	0.5255	0.5255	0.5255	0.5255	0.5255	0.5255	0.5255	0.5255	1.2629	0.8436	0.5255	0.5255	0.6798	0.5255	1.2441	0.5255	0.5255	0.5255	0.5255	1	0.5255	0.5255	0.5255	0.5255	0.5255
butyrylcarnitine	0.7193	0.9917	0.5951	0.6447	1.0548	0.9398	0.8406	0.5736	1.8201	1.0083	1.8111	1.165	3.0522	1.4938	1.1965	0.5796	0.8791	0.863	0.3661	2.1579	1.514	0.8591	0.6993	1.1487	1.1668	0.7718	1.8978	1.7104	0.6724	1.6626	0.6938	1.2163	1	1.0568	1.7782	0.8458	2.1079	0.7077	1.1146	1.0397	0.7861	0.4779	0.6053	0.6334	1.6011
caffeine	8.4709	1.1113	3.031	0.4567	2.3648	11.9053	13.7416	0.2895	1.8064	0.3781	4.3874	1.259	0.0888	1.1811	2.3486	0.0443	0.3098	0.7976	0.563	0.5776	0.2873	0.0435	0.8154	0.5227	0.8887	3.6574	14.0904	4.0839	0.102	0.8902	0.0252	0.0389	11.6571	0.0118	2.2805	2.3999	1.7391	0.0059	6.1125	0.0059	0.0634	12.1765	1.1098	0.1798	2.8675
caprate (10:0)	1.9559	2.1403	0.677	0.9389	0.8984	1.3511	2.4124	0.9042	0.7056	1.2927	0.9044	1.3855	1.5626	1.1767	0.7394	1.0311	0.9631	0.9221	1.0115	1.1115	0.8073	1.1973	0.9885	0.7364	0.7674	1.0255	0.728	1.2769	1.1693	2.7337	0.8144	1.3678	0.7574	1.099	0.8181	0.8062	1	0.6913	1.1126	0.6423	0.9837	0.6555	1.2411	2.4169	1.9352
caproate (6:0)	1.4135	1.1739	1.233	0.7203	1.1559	1.4935	0.6337	1.0156	1.029	0.8833	1.094	0.9919	0.988	0.6337	0.8454	1.098	1.1908	1.3801	0.893	0.6945	0.7563	1.0623	0.9224	1	1.2709	0.8571	0.7996	0.9931	1.0704	1.0449	1.0287	0.876	1.8186	1.1329	0.7799	1	1.0403	2.0226	0.9624	1.0836	0.9705	0.8148	0.809	0.8809	0.8551
caprylate (8:0)	1.8141	1.707	0.7113	0.8161	0.9528	1.5991	1.5136	0.7782	1.014	0.8761	0.7073	1.2815	1.2104	0.9932	0.7888	1.0068	1.2585	0.8951	1.0742	0.822	1.0565	0.9315	0.9668	1.1468	0.9539	1.1598	0.6841	1.787	1	1.4728	1.1672	1.4548	0.8549	0.9916	0.8715	0.9529	0.9868	0.6333	1.3807	1.0471	1.0108	0.7218	0.7405	1.4236	2.041
carnitine	0.3859	1.0207	0.5732	1.1299	0.9039	1.0639	0.5789	0.8271	1.1729	0.8894	1.6504	1.2331	1.8227	1.7218	1.3372	0.8614	0.9837	0.8589	0.7233	1.0668	0.8137	1.0163	0.9627	0.9749	0.9016	1.1173	1.4337	1.377	0.6253	0.2213	1.1292	1	1.319	1.16	1.0902	1.3494	0.9926	0.8811	1.3693	1.1364	0.7107	1.0749	0.6568	0.7202	0.4661
catechol sulfate	1.573	0.4406	6.91	0.3116	0.2524	0.6789	0.1442	0.5871	2.2453	1.0585	1.1937	1.4755	0.8155	1.0828	0.6592	1.2794	0.4918	0.3609	2.1262	0.8782	2.9094	1.3131	0.7149	0.5363	1.516	1.7001	0.9415	3.7814	0.5615	0.1442	0.9762	0.5552	1.5509	2.0606	1.1327	0.2523	0.6164	0.9944	1.2843	2.306	5.445	1.0056	0.4155	0.4205	1.0447
C-glycosyltryptophan*	0.127	0.127	3.3575	0.127	0.127	0.127	0.127	0.127	0.127	0.4883	0.127	3.9613	1.5706	0.8284	0.8267	0.127	0.5507	0.127	0.127	0.5038	4.9111	0.127	0.127	0.127	1	3.9994	0.127	0.127	0.127	0.127	0.127	0.4206	0.127	0.127	0.127	1.5794	0.127	0.127	0.127	0.2177	1.8495	1.6788	0.127	0.127	0.127
chenodeoxycholate	19.6002	1.2298	1.7063	1.1439	1.2658	1.0879	0.3071	0.6875	1.8744	0.4853	0.8904	0.649	0.4556	1.5649	1.5523	0.7725	1.3114	0.6398	0.7955	0.9054	0.6965	0.9121	1.8588	0.8897	0.7891	1.481	2.7854	1.1194	1.0826	0.2069	1.197	1.2479	2.276	0.8408	0.5987	1	1.3935	1.8053	0.9555	1.1269	0.8465	1.2621	0.9065	0.5036	0.3908
cholate	33.7271	1.7311	3.1013	0.7088	1.1546	7.4059	0.4944	0.4007	4.7795	0.6219	1.6517	0.7066	0.7395	0.5938	0.9907	1.0093	1.7978	0.4911	0.9309	2.8394	2.4045	0.6351	0.9004	0.7374	1.2703	2.9034	10.2126	0.6183	0.2627	0.1968	0.6443	0.2894	5.6833	6.1112	2.072	1.4616	0.9327	5.5029	2.2395	0.4567	1.5586	1.5926	1	0.458	0.5243
cholesterol	0.9568	0.9211	0.5808	0.8008	0.8596	1.1689	1.0899	0.7556	1.0979	0.9249	1.0866	1.1804	1.5836	1.0683	1.0043	0.7782	1.169	1.0916	1.1086	1.4286	1.1003	0.9957	1.115	0.86	0.8545	0.8886	0.9416	0.9281	1.211	0.6689	1.605	0.9927	0.7405	1.4325	1	1.4045	0.9811	0.626	2.081	1.4872	0.5792	1.1239	0.478	1.2925	0.9211
choline	1.0012	0.9777	1.0661	0.9701	1.1801	1.103	1.0177	0.9576	1.0756	1.0283	0.903	1.029	1.066	0.9988	0.4594	0.8238	1.0119	1.0118	0.9811	1.0865	0.9223	0.9784	0.9099	1.0476	0.8856	0.3595	1.0331	0.8801	0.3537	1.0863	0.7963	1.0786	0.3397	1.0433	0.2797	0.9675	0.894	1.0468	1.0568	0.8956	1.1483	0.9678	1.0201	1	1.066
cinnamoylglycine	0.589	0.6704	0.7562	0.2406	0.342	9.5011	15.0761	0.5189	1.2701	2.9731	1.337	2.9152	1.4233	0.8769	0.4808	0.5074	0.6186	1.1101	1.3655	1.0197	1.1464	2.2315	1.5124	0.4957	0.9803	0.404	1.1695	0.9351	1.5831	0.0758	0.801	1.8367	1.5409	0.4296	2.7553	2.1072	0.9979	1.8707	0.2585	1.0021	0.7927	1.591	0.0758	0.2303	0.8835
cis-4-decenoyl carnitine	6.3724	1.3116	0.9931	1.2249	0.6727	0.8282	1.0001	1.9389	0.9999	1.1275	0.3945	2.9805	3.7247	1.9692	1.8854	2.7934	0.9741	1.268	0.7149	0.574	0.6468	1.4133	0.5233	0.3278	0.1544	0.7888	0.886	3.8523	0.6772	0.5585	1.7075	6.2383	1.7228	1.5228	0.02	0.1667	1.6607	0.5462	2.9977	1	3.288	0.2834	0.5897	0.3542	5.0282
cis-vaccenate (18:1n7)	1.0387	1.1076	1.0158	0.7198	0.3407	2.0126	7.2207	0.8478	0.6523	3.3564	0.7467	2.3955	3.0762	1.2108	1.2361	0.9417	0.5628	1.2576	0.9842	1.1207	0.8994	1.6824	0.844	0.6865	0.6896	0.7242	0.8247	1.0528	1.1507	1.3329	0.66	1.0549	0.32	3.126	0.9398	1	1.0034	0.2975	1.1985	0.7159	1.332	0.316	1.1338	0.7684	0.8282
citrate	0.9992	0.9041	0.3333	1.0465	1.1751	1.0982	1.238	1.0527	0.4984	1.1348	0.3307	1.1237	0.3882	0.5659	0.7258	1.3579	0.3379	1.1688	1.2707	1.0008	0.918	1.0784	1.2861	1.02	0.9985	0.556	0.7576	0.4693	0.4739	1.7149	0.831	1.247	0.5408	0.8308	0.4194	0.9593	1	1.3615	0.8067	0.901	1.5493	1.4335	1.1542	1.5539	1.2257
citrulline	1.2232	1.1636	1.2406	0.8911	1.0394	0.8227	0.7415	0.7823	0.9985	0.9658	2.3224	1.3668	1.8499	1.43	1.4323	0.777	1.1159	0.7714	0.714	0.7867	0.6888	1.0037	0.7615	1.0015	0.7741	1.0082	1.7052	0.9549	0.9705	0.2093	1.4803	1.0524	1.4446	1.3647	1.1552	0.5429	1.0127	1.2716	1.371	0.7987	0.5447	0.8798	1	0.6919	0.4409
corticosterone	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945	1.3911	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945	4.6582	0.7384	0.6945	1	0.6945	0.6945	0.6945	1.2951	0.7049	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945	0.6945
cortisol	0.7974	0.9038	0.3677	1.1132	0.1967	0.9817	0.9967	0.4977	1.0033	0.9437	1.0484	0.3707	0.1226	0.0781	1.2341	0.4699	1.0701	1.1719	1.175	1.0382	1.3694	0.3865	1.1645	0.484	1.3811	1.0332	1.1574	1.3932	1.2054	0.6425	0.9636	1.585	1.1445	1.2515	1.143	1.2949	0.7264	0.6498	1.2178	1	0.527	0.6809	1.2724	0.4284	0.8776
cortisone	1.4638	0.693	1.1587	1.566	0.5275	0.9021	0.5496	0.7047	1.2885	0.8603	1.3337	0.4629	0.1886	0.1886	1.355	0.4326	1.4809	0.9125	1	1.2014	1.0953	0.5116	1.1641	0.3744	0.8615	1.7551	1.7402	1.2452	1.9627	0.2943	1.1044	1	1.3856	0.8328	1.0805	1.0198	1.1311	0.8982	1.2522	1.0044	0.2752	0.832	0.9996	0.3135	0.7239
cotinine	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	1.3435	0.2929	1.5802	0.2929	0.2929	0.2929	0.2929	0.2929	0.2929	1	0.2929	0.9563
creatine	0.7916	0.9886	0.8295	0.9412	1.855	0.6972	0.5269	0.9392	0.8535	0.9083	1.3453	1.4659	1.622	0.8611	0.9487	2.8294	2.5661	0.7028	0.8159	1.7472	1.2996	1.2383	1.2625	1.362	1.2935	1.0114	1.1747	0.9112	1.616	1.0369	1.0073	0.7773	1	1.3978	1.374	0.8539	0.6491	0.5722	1.1819	1.4266	0.4896	0.7852	0.3701	1.3903	0.6235
creatinine	0.8975	0.9152	0.6786	0.9745	0.7088	1.4599	1.146	0.8002	1.0669	1.0155	1.2014	1.0624	1.2081	1.2509	1.4519	0.7058	0.9754	0.9257	1.0878	0.8036	0.718	0.8555	1.0029	0.8661	0.9971	1.0388	1.3491	1.0187	0.8368	0.2813	1.0289	0.8531	1.3202	0.8682	1.0667	1	1.1277	1.0165	1.2844	1.0494	0.8697	1.1575	0.9353	0.9116	0.9123
cyclo(leu-pro)	1.3908	0.5005	0.8736	0.1042	0.1042	3.5506	1.4232	0.1042	1.6243	3.7511	0.3063	0.3763	6.5894	7.6217	2.9891	0.1042	0.9074	0.2087	0.3419	2.3898	0.6289	1.0926	2.0163	0.4677	0.3847	0.1961	1.3142	0.8599	0.1042	0.5882	0.8364	0.3219	1	2.4287	4.715	1.0194	0.7559	0.444	4.2747	0.5413	0.5096	1.7843	2.0657	1.5999	2.0488
cyclo(L-phe-L-pro)	0.446	0.446	0.446	0.446	0.446	1.0977	0.6156	0.446	0.446	0.446	0.446	0.446	2.348	0.9023	7.3196	0.446	0.446	0.446	0.446	0.446	0.446	0.446	0.446	0.446	0.446	0.446	0.446	0.446	0.446	0.446	0.446	0.446	0.446	0.446	1.0754	0.446	0.5797	0.446	0.9246	0.446	0.446	0.446	1.328	0.446	0.446
cys-gly, oxidized	1.3752	0.8366	0.4018	1.0062	1.0841	1.5821	0.8552	0.3189	1.4049	0.5307	0.9419	0.9938	1.7526	2.4287	4.6759	0.1055	0.8236	1.3744	0.7021	1.3827	0.1055	0.5908	1.2135	0.7168	0.8048	2.5041	2.0507	0.6332	2.2508	0.1055	1.2399	1.5009	1.8381	1.225	1.796	1	0.4163	0.9585	1.5161	0.8783	0.6093	0.8348	2.7633	0.6901	0.7704
cysteine	0.9392	0.8391	0.9603	0.7983	0.934	1.3956	1.0048	0.7954	1.1438	0.9772	1.0633	0.9674	1.0956	1.2042	0.3533	1.4267	1.3315	1.1236	0.9337	1.154	1.4872	1.292	0.9925	0.9952	0.7176	0.3437	1.3151	1.018	0.4631	1.5358	0.5678	1.6777	0.5085	1.274	0.4299	1.0038	0.9044	1.319	0.878	0.8641	1.2132	1.117	0.8728	1.2183	1
cysteine sulfinic acid	0.6325	3.3429	1.0282	0.6117	0.7407	1.5529	2.3517	0.2458	0.4802	5.384	0.4565	1.147	0.3692	0.7123	0.2458	4.9256	0.8246	1.6275	0.7147	3.4555	5.0527	0.8264	0.9718	2.1197	2.4069	0.2458	3.6352	0.4774	0.2458	1.0808	0.762	0.7999	0.2458	1	0.2458	1.7308	0.7375	0.2458	0.8397	1.0282	0.3654	0.4141	1.5572	1.2502	2.1269
cysteine-glutathione disulfide	1.4091	0.9796	1.3692	0.3718	0.6974	0.4577	0.5923	0.9674	1.7627	0.806	1.0969	0.3666	0.6608	1.5131	1.082	1.7038	2.5805	0.8152	0.8246	2.4526	0.7892	2.2284	1.1204	3.0099	1.4151	0.696	0.2536	1.0204	0.8443	0.3157	0.8176	2.8326	1.0797	1.0509	1.3886	0.2292	2.1955	0.8609	0.255	1.0838	1	1.8951	1.3335	0.9395	0.8734
cystine	1.2037	0.4494	0.9088	0.7581	1.1438	0.9	1.6625	1.1684	0.8683	2.3316	0.3055	1	1.1847	0.3055	0.3055	0.6084	0.9454	1.2711	1.0106	0.9352	0.6248	1.1759	0.8425	1.7439	1.0631	0.8363	1.425	0.7104	0.3055	3.6518	1.0069	1.5381	0.3834	0.8405	0.3055	1.3715	1.3347	2.3623	0.7167	0.4949	2.2771	0.9001	0.7356	1.8038	0.9931
cytidine	0.3763	0.3763	0.3763	0.3763	0.3763	0.3763	0.3763	0.3763	0.3763	0.3763	1.2234	0.3763	0.682	0.3763	1.3002	0.3763	1.0908	0.3763	0.3763	0.3763	0.3763	0.3763	0.3763	0.6534	0.3763	1	1.9189	0.6612	0.3763	0.7962	1.3427	0.3763	0.3763	0.3763	4.0124	1	0.7678	0.3763	0.3763	0.3763	0.3763	0.3763	0.3763	0.3763	0.3763
decanoylcarnitine	5.1081	1.9001	0.4574	0.8395	0.8906	1.4024	2.2969	1.3541	0.9821	1.0179	0.3758	2.7407	2.8213	1.5982	1.276	1.6802	0.7705	1.1944	0.2855	0.5142	0.6	1.8579	0.3383	0.3655	0.1538	0.6207	0.9452	2.1903	0.5189	0.9421	1.4327	8.1746	0.5238	4.5329	0.5871	0.4612	2.7115	0.7931	4.106	1	5.0818	0.3082	1.2313	0.894	9.2009
dehydroisoandrosterone sulfate (DHEA-S)	0.7909	0.5063	0.2998	1.1178	0.5151	1.6834	1.5461	0.6909	1.062	0.9899	1.0893	0.2589	0.1339	0.3915	0.4608	0.876	0.8794	0.7935	0.9608	3.1296	2.4652	1.0738	1.4348	2.2052	2.4057	1.6275	1.2927	1.0101	1.3463	0.0157	1	1.6222	1.5163	0.6184	1.6338	1.5097	0.9079	1.3131	2.3571	1.2743	0.889	0.4598	0.6979	0.8917	0.7986
deoxycarnitine	0.7725	0.8437	0.5861	1.0354	0.7261	1.107	0.7372	0.9743	1.5445	0.7126	1.2564	0.9115	1.3879	1.6679	1.6507	0.6558	1.0215	1.2141	1.0654	0.7323	0.6499	0.9059	1.0898	0.8084	0.9785	1.467	1.5513	1.5422	0.7094	0.1965	1.0746	1	1.7256	1.3292	1.5027	0.9319	0.7976	1.0999	1.7687	1.1161	0.8005	1.1235	0.7217	0.5761	0.4528
deoxycholate	1.1753	2.4358	0.3134	1.2842	1.2707	0.6786	0.446	0.5646	1.3399	1.0942	1.3279	0.5869	0.9149	1.2972	1.8909	0.6774	0.8522	0.4915	0.3677	0.3791	0.7711	0.6534	1.3163	1.0851	1.2271	1.951	0.8317	1.8527	1.1433	0.1232	2.1758	0.9223	1.8149	2.791	2.8306	0.5919	0.4424	1.0406	1	0.3683	1.3835	1.1499	0.67	0.8128	0.7929
dihomo-linoleate (20:2n6)	1.5124	0.6908	0.8838	0.7216	0.5373	1.1956	6.3735	0.9717	0.9281	3.2729	0.5553	2.8691	5.3257	1.1673	0.8937	1.4397	0.955	1.5677	0.8952	0.9682	1.5911	2.0289	1.0283	0.5588	0.5188	1.2326	0.758	1.189	1.6439	1.1893	0.9323	1.6815	0.4654	1.3313	0.6766	0.4727	1.2389	0.2752	1.4921	0.7183	1.1722	0.3749	1.1663	0.5829	1
dihomo-linolenate (20:3n3 or n6)	0.9995	0.8698	0.597	0.6679	0.7478	1.0384	2.4781	0.6574	1.0081	2.7019	0.9286	2.086	2.4736	1.0694	0.8594	1.0809	0.7302	1.001	0.6517	1.0005	1.5934	1.5258	1.122	0.5103	0.5824	1.1598	0.6416	0.809	1.6742	0.7811	0.7365	1.7167	0.8808	1.6335	1	0.6305	1.2045	0.6076	1.7627	1.165	1.0908	0.6711	1.0522	0.7955	0.8965
dihydroferulic acid	2.4018	0.2766	0.2766	0.2766	0.2766	0.2766	0.2766	0.2766	0.2766	0.2766	0.2766	0.2766	0.2766	0.2766	0.5927	0.2766	0.2766	0.2766	0.2766	1.0513	0.2766	0.2766	0.9487	1.6103	0.2766	0.3231	0.4297	7.1256	0.4515	0.2766	2.1302	0.2766	1	0.2766	0.2766	0.2766	0.2766	0.5237	0.2766	1.7174	0.2766	1.2411	0.2766	0.2766	0.2766
dimethyl sulfone	1.1086	3.2503	0.6229	3.016	0.4858	0.3045	0.0695	0.9887	1.0113	0.4811	1.1756	0.9065	1.1626	0.4125	2.1314	0.2664	0.3521	0.2402	0.9167	2.0322	1.2541	0.534	0.9843	1.0534	2.4467	2.7636	1.1194	1.0471	0.4384	0.0486	3.987	1.4822	1.459	1.9393	1.7889	0.8525	0.4417	1	0.876	1.6908	2.2737	1.3249	0.514	0.362	0.8024
dimethylarginine (SDMA + ADMA)	1.2104	1.3058	0.7312	0.9421	0.744	0.9588	0.7663	0.7182	0.9776	1.0188	1.1967	1.1398	1.4657	1.5659	1.6426	0.7083	1.0531	0.9225	1.0372	1.035	0.7653	0.9266	0.9812	0.918	0.9213	1.431	1.1668	1.3306	1.0344	0.4514	1.0096	1.0492	1.0717	1.0693	1.0548	0.9131	0.8476	0.67	1.2515	1	0.7418	1.1585	0.9094	0.5657	0.6633
docosadienoate (22:2n6)	1.0572	0.8626	0.701	0.7167	0.4153	1.3882	7.6608	0.5689	0.5137	2.445	0.5295	1.987	3.9013	1.1459	1.0582	0.994	0.9052	1.258	0.6518	1.0859	1.4406	1.4147	0.6641	0.4737	0.5022	1.2488	0.6282	1.006	1.3856	2.497	1	1.6307	0.2643	1.5296	0.7587	0.565	0.7337	0.2563	1.7502	0.8084	1.0522	0.3127	1.3053	0.3727	1.3433
docosahexaenoate (DHA; 22:6n3)	1.0026	0.6462	0.6035	0.4375	0.5482	1.5324	4.0254	0.87	0.9974	1.8687	0.6628	5.1467	8.093	1.3364	0.8755	1.6945	0.9838	1.3191	0.873	1.579	2.8991	1.7967	1.583	0.9251	1.4498	0.5056	0.8879	0.6443	1.2457	0.6845	1.4249	1.371	0.7643	2.7771	0.9454	1.2702	1.0282	0.3266	2.2299	1.2607	0.7936	0.5914	0.9621	0.7835	1
docosapentaenoate (n3 DPA; 22:5n3)	0.7075	0.7131	0.5966	0.2953	0.453	1.5123	5.2202	1.0334	0.9666	4.2038	1.1219	2.8835	5.862	1.0709	0.6835	1.4317	0.7444	1.5503	0.8151	1.0896	2.8218	1.4228	0.8371	0.9504	1.0757	0.57	0.6643	0.6708	1.0022	0.5909	0.81	1.6732	0.8066	3.5372	1	0.9752	1.0967	0.3633	1.4812	1.0197	0.9598	0.7102	1.0419	0.8711	1.1309
docosapentaenoate (n6 DPA; 22:5n6)	1.2543	0.807	0.6603	0.8571	0.7124	1.2002	3.9713	0.6356	0.9002	2.1696	0.7189	4.2297	4.9729	1.6854	1.0317	1.1336	0.8318	1.1242	0.7829	0.8715	2.4147	1.9229	1.5481	0.3924	0.6928	0.9992	1.0008	0.8472	1.1266	0.7537	0.8177	1.5333	0.7257	2.7836	1	0.3884	2.264	0.4547	1.507	1.2536	0.9854	0.3584	1.3604	0.353	1.3502
docosatrienoate (22:3n3)	0.7741	0.7114	0.5995	0.4276	0.6218	1.2615	5.3151	0.4771	0.3801	2.2609	0.6945	1.6167	4.6506	1.0952	1.1799	1.3623	0.9272	1.1064	0.525	1.5311	1.1394	0.667	1.0302	0.131	0.131	0.131	0.9698	1.132	2.8474	1.8466	0.7225	3.2258	0.8673	1.7197	0.9211	0.6398	1.368	0.4888	2.5592	0.6087	1	0.6808	1.0703	0.6234	1.7903
dodecanedioate	0.8159	2.2065	1.4072	0.9831	1.5076	0.5111	5.6693	0.4773	0.9088	0.6082	0.9678	0.9841	1.2976	1.1821	1.1806	0.445	1.4248	0.3383	0.8079	0.805	0.7918	1.0159	1.6511	1.449	1.4218	0.3089	1.2368	3.0613	0.2693	6.5672	2.2097	1.0054	0.9856	3.997	2.5609	0.6337	0.2578	0.567	0.2578	1.4233	0.9946	0.4788	0.6858	4.0263	3.789
DSGEGDFXAEGGGVR*	0.1115	0.1115	0.1115	0.1115	0.1115	2.3965	0.1115	0.7528	0.1115	1.2472	0.1115	4.3262	0.1115	0.1115	0.1115	0.1115	0.1115	0.5017	0.1115	0.1115	0.1115	0.1115	0.1115	0.1115	0.1115	0.1115	0.1115	0.1115	0.1115	0.1115	0.1115	0.1115	0.1115	0.1115	0.1115	1	0.1115	0.1115	0.1115	0.1115	0.1115	0.1115	0.1115	0.1115	0.1115
eicosapentaenoate (EPA; 20:5n3)	0.5823	0.7657	0.5178	0.3027	0.6304	3.0132	2.6632	1.7915	0.7783	4.1116	2.6485	3.1966	4.7309	0.8771	0.6661	2.2155	0.6983	1.0598	1.6245	2.1491	2.8892	1.178	0.8494	0.852	3.1167	0.5822	0.9402	0.5106	0.7048	0.3123	0.8779	2.5391	1.0252	7.8624	1.4836	3.5637	0.7276	0.5405	4.3743	1.4376	0.6732	1	0.8405	3.0886	0.8101
eicosenoate (20:1n9 or 11)	1.6938	0.813	1.071	0.882	0.5188	1.167	13.1194	1.3529	0.8112	2.956	0.6092	3.1221	6.7811	1.5106	0.9364	0.6529	0.6633	1.325	0.8641	0.9576	1.2649	2.2526	0.9588	0.5437	0.6763	1.0412	0.502	1.5475	1.2863	1.5033	0.9715	1.4231	0.4202	2.0244	0.6375	0.4253	1.0768	0.2259	1.4975	0.685	1.4789	0.2614	1	0.7183	1.1641
epiandrosterone sulfate	0.4674	0.2301	0.3922	1.4914	0.3916	2.1163	1.7781	0.5905	1.0808	1.8189	1.6911	0.1627	0.1362	1.9303	2.1481	0.6846	0.4436	0.6879	0.9088	2.2228	1.389	0.9192	1.301	1.2192	1.1924	0.5561	3.3956	0.2597	0.5539	0.1362	0.607	1.3987	2.4322	1.4973	1.8094	0.9308	0.3166	1.7601	2.2807	3.4596	0.9447	0.6953	1.0538	0.9462	0.8973
erythritol	1.0419	0.8114	0.6238	0.8465	0.8192	1.398	0.6802	0.5467	0.9967	0.7993	1.3956	1.0033	1.6886	1.2652	1.7978	0.98	1.0711	0.6818	1.1728	0.8725	0.7429	0.7141	0.9109	1.0234	1.2079	1.1269	1.1773	1.2739	1	0.555	1.4997	0.7437	0.9074	1.0455	0.9423	1.043	1.0456	1.3568	1.4606	0.8866	0.7386	1.2041	0.9493	0.6631	1.0201
erythronate*	1.0181	2.6574	0.7809	0.8176	1.0715	1.1728	0.949	0.8031	0.9749	2.2652	1.0374	1.0357	1.1919	0.9553	0.8133	1.1618	0.8276	1.0016	0.9984	3.0528	0.9168	0.8205	0.8215	1.415	2.1461	0.541	2.1189	0.9037	0.3758	1.372	1.1917	1.5479	0.3824	1.661	0.3699	1.1128	1.2005	0.7472	1	0.9478	0.8133	0.8686	0.949	1.2634	3.1128
estrone 3-sulfate	0.3126	0.3126	0.3126	0.3126	0.3126	0.3126	1.1155	0.3126	0.3126	0.3126	0.3126	0.3126	0.3126	0.3126	0.3126	0.3126	0.3126	0.8845	0.3126	0.5466	0.3126	0.3126	1.8036	0.3126	1.9931	0.3126	0.3126	0.3126	0.3499	0.3126	0.3126	0.3126	1.6501	0.3126	0.3126	0.3126	0.3126	0.3126	0.3126	0.3126	0.3126	0.3126	0.3126	0.3126	0.3126
ethanolamine	1.6576	1.0398	0.4272	1.6533	0.8862	1.4429	0.6293	1.0398	1.1829	0.7321	1.1644	0.8618	1.0492	0.9602	0.6854	3.0056	0.8916	0.5017	1.5287	1.0777	2.3935	2.0932	0.5317	0.7525	0.479	0.6537	1.7804	0.8176	2.3965	1.4977	5.8576	1.0837	1.4105	0.5616	1.3431	0.7268	0.7899	1.116	0.8109	1.0419	0.4272	0.9581	0.6695	0.4555	0.5197
ethyl glucuronide	1.0241	1.141	0.269	0.269	0.269	364.3063	339.6514	0.585	0.269	0.269	0.269	0.9759	0.269	1.496	0.269	1.0712	0.269	0.269	0.7411	0.269	0.9659	0.269	0.269	0.5118	0.269	0.269	0.269	0.5033	0.269	0.269	0.6837	0.269	0.9751	0.9529	0.269	247.2711	0.269	0.269	33.2042	1.0249	0.269	0.442	17.7572	0.269	34.4051
etiocholanolone glucuronide	0.7364	0.4555	0.116	0.8221	0.116	1.054	1.2527	0.8007	1.5278	1.5442	2.3329	0.116	0.116	0.8145	1.4664	0.2846	1.067	0.3824	0.4298	3.3574	2.631	0.5801	0.9808	1.0192	1.7294	0.89	2.3	0.116	0.4447	0.116	0.5091	2.2321	1.5371	0.3877	1.9423	1.0684	0.2956	0.3863	2.2737	1.2626	0.9553	1.0941	0.2941	1.0447	0.8019
ferulic acid 4-sulfate	0.1845	0.1845	0.1845	0.1845	0.1845	1.2154	0.1845	0.1845	0.3422	0.1845	0.1845	0.1845	0.1845	0.1845	1.4903	0.1845	0.1845	0.1845	0.1845	0.3266	0.1845	0.1845	1.8198	0.1845	0.7846	0.1845	0.1845	1.263	0.1845	0.1845	0.3711	0.1845	1	0.1845	1.9502	0.1845	0.1845	0.1845	0.1845	0.1845	0.1845	0.1845	0.1845	0.4327	2.1128
folate	1.109	0.6745	1.6309	0.968	1.2724	1.0651	1.0648	1.1417	1.2451	0.8092	0.7565	1.0401	0.8399	0.6244	0.3993	1.0608	0.8688	0.9414	0.9434	0.7335	1.0929	0.7906	1.032	1.1241	0.7461	0.3993	0.5601	1.2945	0.3993	1.2267	0.3993	1.1921	0.3993	0.6915	0.3993	0.9146	0.8714	1.3097	0.772	0.7234	1.5527	1.2322	0.8168	1.1491	1.0854
fructose	0.7414	1.2398	0.4505	0.6626	0.8914	1.3438	1.0995	0.4544	1.2537	1.0412	1.0405	0.7166	0.8575	1.1358	0.7181	0.5454	0.9875	1.3954	1.0509	1.3765	0.3661	0.5995	0.9499	1.6047	2.0192	0.4862	1.323	1.0125	0.1764	1.5161	2.2548	1.6391	0.7556	1.0643	0.2255	1.29	2.7215	0.9397	1.7716	0.7658	0.8912	1	0.3898	0.7684	3.2623
fumarate	1.3508	0.8596	0.8333	0.6377	0.8275	3.1026	2.0273	0.8466	1.4898	1.0037	1.2294	0.7886	1.448	1.5699	1.4892	0.8875	0.9557	0.9824	0.9963	1.4192	0.8177	0.8171	1.0106	0.7664	1.4201	0.7975	1.0958	1.3948	1.4923	0.5333	0.9551	0.8739	0.6284	1	1.391	1.3818	1.0259	0.8575	1.0086	0.9465	0.9719	1.3881	1.4154	0.7172	1.6696
gamma-CEHC	1.9932	1.0316	1.0125	1.1622	1.2991	0.2951	0.0435	0.4464	1.277	0.1009	0.3812	0.9875	1.669	1.3215	0.5823	1.6492	0.9521	0.6088	0.6505	0.6707	0.7154	1.1341	2.8194	0.4586	1.1909	1.6273	0.8824	1.2937	2.7893	0.0435	2.7084	0.651	3.5127	0.9061	0.589	0.1115	0.2905	1.1344	1.4628	0.6271	0.5239	1.4036	1.0939	0.2749	1.2864
gamma-CEHC glucuronide*	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	3.0116	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	1	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	1	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006	0.5006
gamma-glutamylalanine	0.9217	0.6272	0.6544	1.068	1.1085	0.81	0.666	0.427	1.396	0.6199	0.7252	1.2225	1.2343	2.1404	2.0422	0.8407	1.2793	0.3696	1.0577	1.5399	0.8465	0.9817	0.9697	1.0183	0.5741	1.7398	1.7181	1.2309	0.8279	0.1668	1.4506	0.9486	1.7181	0.9464	1.155	1.0247	0.9575	2.0363	1.3086	1	0.3624	1.112	1.1511	0.85	0.7879
gamma-glutamylglutamine	1.695	0.9639	0.3617	1.6724	1.8108	1.6435	1.3601	0.8077	0.6073	1.311	0.5495	1.7506	0.5285	0.8985	0.842	0.9833	0.4074	0.6187	1.1394	1.078	1.25	0.7425	1.02	0.6849	1.0167	1.05	2.8439	0.5936	0.57	0.825	1.3601	1.3239	1	1.2708	0.6346	2.0136	0.9042	1.7286	2.7677	1.498	0.748	0.8612	1.4266	0.7866	0.9478
gamma-glutamylisoleucine*	1.5123	1.8425	0.2902	1.3713	1.3198	1.1844	1.1988	0.6624	0.5864	1.0336	0.709	1.918	1.3859	0.7881	0.4277	1.0828	0.7789	0.6836	1.0956	0.8561	0.9951	0.7445	1.0488	0.5979	1.0049	0.7192	2.052	0.5381	0.212	0.8111	1.0946	1.0802	0.456	1.261	0.5343	1.6141	0.8004	1.323	2.2298	1.2542	1.0347	1	0.7041	0.6753	0.7222
gamma-glutamylleucine	1.4198	1.3961	0.3713	1.1186	1.2596	1.1389	1.2502	0.7081	1.0791	0.8952	0.9682	1.7173	1.8165	1.0318	1.118	0.6868	1.2021	0.745	0.7565	0.8923	0.9237	0.6998	0.9529	0.5775	0.8045	1.328	1.8605	0.7511	0.663	0.6804	1.3697	1.2271	0.9539	1.2229	1.3819	1.4364	0.9666	1.7929	2.4489	1.2008	0.8422	0.7719	1	0.8343	0.9929
gamma-glutamyllysine	1.3871	1.0675	0.11	1.4501	1.0769	1.5778	2.1275	1.069	0.7133	1.6311	0.4876	2.3981	1.689	1.325	0.908	0.6591	0.7019	0.0557	1.1301	0.6617	0.9325	0.5046	0.8318	0.6114	1.1788	0.782	3.1654	0.2801	0.2818	0.6061	1.4	1.2819	0.9733	1.3524	0.2137	3.2879	0.3172	1.6513	3.3878	1.4664	0.8466	1.0052	1	0.586	0.835
gamma-glutamylmethionine	1.5278	1.1976	0.1765	1.5573	2.1638	1.6592	1.8135	0.6867	0.894	1.3431	0.634	2.8245	1.461	1.0899	0.7652	0.8059	1.0215	0.5737	1.1034	0.6293	0.8563	0.4613	1.4361	0.697	0.9785	0.9246	3.3069	0.6818	0.119	0.8937	1.0375	1.1126	0.8608	1.1556	0.6418	1.9251	0.5998	2.1862	2.9901	1.3873	1	0.4979	1.6459	0.8034	0.6171
gamma-glutamylphenylalanine	1.5875	1.5412	0.5613	1.2403	1.17	1.0674	0.9326	0.8432	1.301	0.8893	1.3987	1.4801	2.3534	1.5524	2.4884	0.7355	1.4922	0.7813	0.7585	0.8366	0.6791	0.7166	0.7794	0.6264	0.7514	2.4817	2.038	0.8524	1	0.5963	1.2194	0.9823	1.2514	1.236	1.5111	0.8939	0.7633	1.3074	2.0008	1.1455	0.8183	0.9156	1.335	0.7535	0.5686
gamma-glutamyltyrosine	1.2989	0.676	0.3697	0.4009	1.3699	0.6008	0.8016	0.3697	0.7173	0.3777	0.5714	1.8147	4.9354	1.6986	1.8847	0.3697	1.1984	0.3697	0.3697	0.3697	0.645	0.3697	0.3697	0.3697	0.3697	2.9305	1.5384	0.7554	1.4544	0.3697	0.3697	0.3697	3.6486	0.3697	2.1129	1	0.3697	1.7019	4.2927	0.3697	0.7332	0.4121	0.6297	0.3697	0.9916
gamma-glutamylvaline	1.3667	1.6491	0.3677	1.1052	1.1335	0.6893	1.04	0.5539	1.0445	0.8166	0.7019	1.2364	2.1614	1.3332	1.2521	0.9999	0.9781	0.77	0.8164	0.856	1.1648	0.5464	1.0001	0.6662	0.3849	1.0908	1.9501	0.3838	0.6577	0.8684	1.5218	0.9684	1	1.4743	1.1449	1.5824	0.9852	1.4116	2.4749	1.6379	1.0275	0.9206	0.8795	0.788	0.6678
gluconate	0.756	2.1436	0.8481	0.9874	1.1443	0.8018	1.0479	0.9027	0.8713	2.3505	0.7671	1.0741	0.9447	0.8376	0.3795	1.6489	1.091	1.0768	1.0843	2.1795	0.941	0.8896	1.0126	1.3189	1.7822	0.2702	1.5841	0.7573	0.2288	1.2726	0.8392	1.5377	0.2357	1.5039	0.0776	1.0401	0.9576	0.7962	0.7965	1	0.787	1.0024	1.0888	1.2293	1.8728
glucose	0.9453	1.065	0.9784	1.0759	1.0784	1.0075	1.2307	1.0333	1.0711	1.0813	0.9137	0.9499	0.9041	0.9192	0.5844	1.1362	0.9606	1.0123	0.9899	1.0466	0.9759	1.028	0.9651	1.0286	1.1135	0.477	0.9925	0.9616	0.3423	1.2455	0.9224	0.9932	0.2206	1.064	0.3295	0.9171	1	0.9988	1.015	1.0351	1.1834	0.9693	1.0201	1.1603	1.1352
glutamate	1.1029	0.9585	1.1287	0.9465	1.167	1.2738	1.2161	0.9859	1.0123	1.1121	0.8839	1.1458	0.8799	0.8355	0.22	1.2085	1.1244	1.0072	0.9928	0.9666	1.19	0.9171	0.8836	1.0249	0.9726	0.3109	1.1143	0.9567	0.2015	1.3253	0.6312	1.0508	0.1304	0.8118	0.1744	1.1508	0.9435	1	1.0887	0.8305	1.137	0.9274	1.0527	1.0671	1.0945
glutamine	1.0174	1.089	0.2719	0.9694	1.1784	1.1087	1.1898	0.9848	0.3003	1.1023	0.3846	0.9646	0.3238	0.3402	0.352	1.187	0.3251	1.1098	1.0291	1.1471	1.2426	1.1153	0.9696	1.19	0.9211	0.5775	1.0152	0.3394	0.346	1.3623	0.8435	1	0.4754	0.9075	0.3461	0.9753	1.1233	1.1264	0.9618	0.9513	1.1165	1.085	1.0556	1.0923	1.2462
glutamine-leucine	0.2752	1.9222	0.2752	0.2752	1.3936	0.3238	2.1741	0.2752	0.2752	4.768	0.9267	3.7562	0.511	0.3038	0.2752	0.3883	2.626	0.2752	1	0.2752	1.0434	0.2752	0.8502	0.2752	0.7624	0.2752	2.2524	0.2752	0.2752	0.8515	1.0798	1.956	0.2752	0.2752	0.2752	1.5849	0.2752	1.2936	2.6644	0.6308	0.9202	0.2752	0.653	0.2752	0.5029
glutarylcarnitine (C5)	2.0071	1.7657	0.8557	0.8351	0.9465	0.6307	1.2741	0.9115	1.5915	1.0482	0.966	0.725	1.7622	2.5501	1.7312	0.3287	0.7393	0.7292	1.034	0.8042	0.7393	0.3425	0.6543	2.1792	1.0788	1.1057	2.453	4.5148	0.7438	0.2532	1.6445	2.0144	1.5541	0.8244	1.028	0.8368	3.7885	2.4809	2.3044	0.972	0.9411	0.2532	1.2709	0.6822	0.5937
glycerate	0.8732	1.5568	0.5024	1.1354	0.852	1.2233	0.7132	0.9502	1.0217	1.4676	0.8648	0.9674	1.0739	1.2205	0.8388	1.3587	0.9301	0.8275	1.2624	1.4493	0.9783	0.9287	1.3798	1.0291	2.4062	0.4495	1.8566	0.8402	0.9672	0.9796	1.9682	1.3502	0.695	2.0428	0.8221	0.8244	1	1.1049	1.3765	1.597	0.7468	1.1628	0.9087	0.7711	1.712
glycerol	0.9691	0.9088	1.0176	0.9643	0.9945	1.6062	2.3012	0.9593	0.8892	1.1286	0.6926	1.117	1.398	0.7996	1.0472	1.1504	0.8315	1.0813	0.9882	1.0096	0.9162	1.0671	0.9462	1.0382	1.0055	1.104	0.8507	0.949	1.578	1.3238	0.4963	0.9428	1.0472	0.9542	1.7926	1.1556	1	0.8679	0.9364	0.5892	1.2543	0.7318	0.9353	1.1029	1.2154
glycerol 2-phosphate	0.5704	0.857	0.2995	0.2995	0.5836	1.3596	0.4763	0.8619	3.3249	0.5384	0.6168	2.0537	0.6012	1.7944	0.9769	1	0.7337	1.4161	1.0041	0.2995	1.1831	0.7568	1.1776	10.1501	10.1781	18.6674	4.9785	0.8641	0.2995	0.2995	2.8532	0.3236	8.6592	0.8832	0.5124	0.2995	5.5744	1.0113	24.9591	0.9887	0.2995	0.8806	0.2995	0.2995	7.5952
glycerol 3-phosphate (G3P)	0.731	1.371	0.5717	0.8413	0.823	1.3606	0.4442	0.3966	10.1685	0.718	1.0078	2.0671	0.8875	1.5427	0.7012	0.5266	1.3079	0.9922	0.7993	1.0879	3.2079	1.0572	0.9022	28.6216	43.1027	56.7084	25.6093	0.9696	1.0008	1.4617	3.5729	0.3707	43.7851	0.4517	0.769	0.2954	23.9543	0.6241	84.979	1	0.3435	1.2218	0.4532	0.3155	26.0184
glycerophosphorylcholine (GPC)	1.0489	0.3574	0.8526	0.8917	1.5169	1.7887	0.61	0.3683	1.0744	0.8995	1.2629	1.016	1.5989	1.0348	0.7481	0.0548	1.3141	0.4164	1.0024	1.9234	0.2673	0.6394	1.3196	0.7806	0.9976	1.7371	1.318	0.8276	1	0.358	1.2664	0.8127	1.3846	0.8615	0.7999	0.9875	1.085	0.7115	1.4463	1.1685	0.3902	7.0879	1.2185	0.5238	1.0524
glycine	1.0562	0.851	0.8791	1.1758	0.6942	1.1173	0.804	0.9929	1.2971	0.9163	0.9627	0.8125	1.0018	1.0044	0.3559	3.1712	1.2003	0.8335	1.2298	0.9982	1.7987	1.6911	0.7774	0.8733	0.7493	1.1148	2.464	1.2709	0.8556	1.1674	2.2863	1.1454	0.8974	1.2941	1.1587	1.0388	1	1.8587	0.9673	1.1686	0.8766	0.843	0.6157	0.9112	0.7958
glycochenodeoxycholate	2.7952	5.1933	0.4181	0.6901	1.2616	0.5489	1.9922	0.1342	1.357	0.0758	0.9857	1.6016	3.9835	1.0192	0.7216	0.1544	5.1129	0.5433	0.996	0.3615	0.1783	0.5201	1.8596	0.6772	1.9513	3.9724	1.004	3.431	0.8713	3.6784	2.1502	0.4008	2.9865	1.2432	1.5355	0.4735	0.1035	1.1041	0.4277	0.3857	0.1047	0.6181	1.5668	1.6548	1
glycocholate	0.9788	10.689	0.75	0.3185	0.6016	1.1408	1.2874	0.1029	1.1275	0.2163	0.7497	0.7795	2.6714	0.2025	0.2194	0.4367	3.796	0.3992	1.1797	1.1104	0.187	0.3362	1.0212	1.3049	4.8517	4.0302	1.2063	2.8577	0.8332	6.7246	1.3009	0.1213	1.4368	1	4.4259	0.8782	0.1165	0.8535	1.0819	0.3928	0.0503	1.0062	1.2913	2.1405	0.4263
glycocholenate sulfate*	1.8459	0.6305	1.0878	1.8377	0.8984	0.8128	0.8401	0.495	1.4096	1.8919	1.4524	1.0967	0.8996	1.5639	1.3942	0.3586	1.0346	0.4633	0.6094	0.675	0.7239	0.872	1.3288	0.8448	0.9654	1.4185	1.0793	1.2063	1.0314	0.3611	1	2.2973	2.7533	1.696	0.4633	1.9131	1.4495	1.6346	1.6637	0.7799	0.7878	0.822	0.9472	0.9601	0.7723
glycodeoxycholate	0.533	7.2322	0.1839	1.1551	0.3603	0.5666	2.4103	0.0304	0.1509	0.3836	2.3956	1.73	7.8619	1.7906	2.1242	0.1811	3.0711	0.4944	0.2653	2.2684	0.2766	0.149	0.8449	2.7569	8.0779	2.2545	0.3271	1.9907	0.7465	0.0082	8.7723	0.0834	2.6509	4.5938	8.985	0.3861	0.0082	1.0721	0.1063	0.9279	0.171	0.6836	1.5065	1.6919	1.0793
glycohyocholate	0.8683	3.46	0.24	0.2103	0.2103	0.7343	0.7227	0.2103	0.3341	0.2103	0.2103	1.2238	1.3892	0.2103	0.2103	0.7594	1.6263	0.2103	0.2103	0.2103	0.2103	1.1317	1.2824	0.2103	1.3111	0.5405	1.6217	0.2103	0.2103	23.2728	3.3205	1.5169	0.8298	0.9324	0.7142	0.3258	0.2103	1	1.9836	0.323	0.2103	1.1611	0.8813	1.2497	0.2103
glycolate (hydroxyacetate)	0.9976	1.9743	0.997	0.9573	1.1876	1.3071	1.0401	0.8363	0.963	1.687	0.7766	0.8672	0.9363	0.8943	0.5575	1.7946	1.0368	0.9383	0.8193	2.2305	1.1245	1.0794	0.8869	1.2045	2.1142	0.7941	1.4225	1.0024	0.5725	1	1.5064	1.0865	0.6477	1.3588	0.9583	1.1611	1.0755	0.952	1.0613	0.7432	0.6725	0.903	0.9645	1.2561	2.3753
glycolithocholate sulfate*	0.9959	4.9953	1.9454	1.0041	0.6333	0.9312	4.3529	0.1755	0.4786	3.1851	2.4426	5.2293	3.0724	1.5675	4.0936	0.4821	0.7784	0.27	0.4191	0.7685	0.7231	0.7478	2.647	1.6182	2.5803	0.7992	0.5423	1.7673	0.4018	0.0181	3.9857	1.7283	1.7181	2.7315	1	0.0867	0.2558	1.404	0.7361	1.8159	0.5868	0.6638	0.33	2.1998	1.1402
glycoursodeoxycholate	5.6606	3.3427	0.5343	0.4798	1.2718	0.9837	5.6787	0.0548	0.6377	0.1994	1.5887	0.8158	2.8538	1.2942	1.0163	0.515	4.57	0.5758	0.7931	0.2851	0.2241	0.5381	1.1999	0.144	1.4234	2.4954	1.4623	3.2621	1.3166	1.0336	4.1612	0.813	2.9048	5.5353	1	2.104	0.2878	0.9806	0.6052	0.3226	0.2688	0.6972	3.5298	1.8287	0.6676
glycylleucine	0.5182	0.5182	0.5952	0.5182	1.361	0.5182	0.5182	0.5182	0.5182	0.5182	0.5182	0.5182	0.5182	0.5182	0.5182	0.5182	1.404	0.5182	0.5182	0.5182	0.5182	0.5182	0.5182	0.5182	0.5182	0.5182	1	0.5182	0.5182	0.5182	0.5276	1.4724	0.5182	0.5182	0.5182	0.5182	0.5182	0.5182	0.5182	0.5182	0.5182	0.5182	0.5182	0.5182	0.5182
glycylphenylalanine	0.1603	0.1603	0.1636	0.1603	6.6062	6.2914	0.3263	10.55	1	11.9517	0.1603	32.0524	2.0373	0.1603	0.1603	0.1603	0.1603	0.1603	0.3615	0.4147	1.7015	0.1603	0.1603	0.1603	0.1603	0.1728	0.1603	0.4015	0.1603	0.1603	6.2125	0.1603	0.1603	0.1603	0.1603	1.2595	0.1603	0.1603	0.7405	0.6585	0.1603	0.1603	0.1603	0.1603	0.1603
guanidinoacetate	0.4495	0.811	0.981	1.3516	1.0801	0.9087	0.4952	0.2048	1.798	1.2076	1.896	0.1346	0.4217	1.019	1.3199	0.3613	0.7325	0.6291	0.6402	1.1255	0.1346	1.3119	1.3924	0.3609	0.42	2.1214	2.6212	1.0538	1.2263	0.1346	0.8795	0.2727	1.6316	1.5982	1.6367	0.4421	0.7933	1.0587	1.7746	1.0203	0.5249	1	0.1346	0.1346	0.1843
guanine	0.1531	1.1272	1.1024	0.2256	0.3686	0.1531	2.0825	0.1531	0.5278	3.0947	1.392	0.5107	0.1531	0.3849	0.1531	0.5955	4.4975	1.8087	1.726	0.1531	0.8976	0.1531	0.1531	1.5685	0.1531	0.1531	0.1531	0.2417	0.1531	1.8853	0.8993	3.6496	0.1531	1.4525	0.1531	0.2541	0.4073	0.1531	2.0632	0.1531	1.1007	0.6285	0.5884	1.3585	0.5696
guanosine	0.1615	2.1397	2.5642	0.6803	0.1003	0.1003	0.8449	0.1003	1.2045	0.9966	1.5371	1.0613	1.6985	1.0034	1.124	0.7531	3.567	1.2936	0.3381	1.6251	0.8111	0.1003	0.2421	2.1961	0.6682	0.1003	0.6587	0.1189	0.1003	0.2404	0.1003	2.8576	0.1003	1.2826	0.1003	0.943	1.0809	0.5503	2.579	0.2291	0.3036	1.2929	1.1657	1	0.6929
heme	0.2438	0.2438	0.5101	0.2438	0.2438	0.2438	0.2556	0.2438	2.1842	3.1297	0.2438	0.5179	0.2438	0.2438	0.2438	0.2438	0.2438	0.2438	0.2438	0.2438	0.2438	0.2438	0.2907	0.2438	0.2438	1.4821	1.4986	0.2438	0.2438	0.2438	0.2438	1.0567	1.1159	0.9433	4.8418	0.8255	0.2438	2.383	0.9347	0.2438	5.4249	0.2438	0.2438	0.8332	0.2438
HEPES	1.6265	0.9937	0.9869	0.7299	0.9379	1.1418	1.3188	0.8729	0.9491	0.9662	0.7801	0.8629	0.8973	1.0063	0.5027	2.6824	1.0375	1.1767	1.0816	0.9494	2.7547	1.0497	1.14	0.9568	1.191	0.5027	0.8196	1.1068	0.5027	0.9704	0.5027	1.2185	0.5027	0.9273	0.5027	1.1373	0.8361	0.9451	0.7435	0.7308	1.429	1.1279	1.1868	1.2617	1.0296
heptanoate (7:0)	0.912	0.7535	1.0429	1.0024	0.9079	1.4737	0.5791	0.9688	1.266	0.9296	1.1386	0.8082	0.7325	0.7886	1.9476	1.3168	0.997	1.1928	1.4603	0.8299	1.6272	0.8591	1.2635	1.0411	1.3381	2.1938	0.7044	0.9976	2.1809	0.7287	1.1728	0.7979	2.1432	1.145	2.383	1.4172	0.8131	0.8366	1.1297	1.2277	0.9378	0.786	0.7329	1	0.8886
hexadecanedioate	0.9144	1.5424	1.9193	0.863	0.9677	0.6885	1.6266	0.941	0.7149	1.4901	1.0025	0.9975	1.3272	1.2562	1.0591	0.5324	1.4901	0.9065	0.7166	0.8303	0.7189	0.7724	2.1485	1.3151	1.3678	0.8522	1.0068	1.3404	0.8127	1.17	1.346	0.7612	1.8773	2.9929	0.9657	0.7173	0.7534	0.8413	0.9602	1.0597	0.8125	1	1.1873	2.217	2.1278
hexanoylcarnitine	2.4395	1.4196	0.224	1.0751	0.7008	0.9661	1.9961	1.5461	1	1.1114	0.6653	2.7049	4.1281	1.538	0.1418	1.5046	0.6698	1.0544	0.4419	0.6833	0.7264	1.5568	0.5924	0.6162	0.1418	0.6297	0.2946	2.4882	0.4357	1.7504	1.2827	5.384	0.4251	2.7108	0.556	0.1527	1.9797	0.4942	3.0092	1	2.9511	0.1539	0.654	0.8452	5.97
hippurate	1.1923	1.1885	2.719	0.3451	0.4979	0.549	2.6553	0.372	0.947	1.4364	1.6153	0.752	1.0089	1.0293	0.508	2.4152	0.8033	0.5245	3.6413	1.0694	0.953	0.6659	0.9911	0.7782	1.4088	0.8592	1.1649	1.3392	1	0.0201	3.7384	0.9233	1.9625	2.5002	2.4934	0.1595	0.4115	1.479	0.7476	2.5144	4.5509	0.9353	0.8548	0.4925	1.137
histidine	0.9357	0.9477	1.2599	0.9805	1.0586	0.9625	1.0011	0.898	1.093	0.9538	0.9472	1.023	1.0866	1.1121	0.4121	0.7616	1.022	1.0938	0.9817	1.0436	0.8087	0.9989	1.2394	1.0665	1.0011	0.6168	1.087	0.9874	0.3906	1.0306	0.9005	0.8868	0.5218	0.879	0.5244	0.8964	1.0866	1.0995	1.0514	0.8721	1.0811	1.0044	1.0358	1.0673	1
homocitrulline	0.7018	1.0079	0.3715	1.0118	0.3403	0.8989	0.7669	1.1848	2.218	0.9921	3.2687	1.1079	4.4555	2.1637	2.2871	0.2606	0.3824	1.2726	0.8106	0.988	0.7462	0.5963	1.2782	0.8912	1.128	1.483	3.5622	0.6994	0.9911	0.2606	0.8649	1.5972	1.4457	0.7402	2.6271	0.9179	0.7036	0.3536	1.411	1.9526	0.3865	1.1492	1.0089	1.1896	0.6386
homocysteine	2.2569	1.8418	0.7263	1.2046	0.6562	1.4294	0.2584	0.9025	0.4294	1.7178	0.5522	0.5949	0.9381	1.0283	0.7055	6.8078	0.9488	1.2697	1	2.3774	6.2446	1.0856	0.7651	1.0354	0.9305	0.2584	1.9952	0.7138	0.2584	1	1.2757	1.8425	0.2584	0.8652	0.2584	0.2584	0.9855	0.2584	0.986	0.2584	0.2584	0.2584	1.0663	0.2584	0.2584
homostachydrine*	0.1636	1.3724	0.1636	0.5896	0.1636	0.1636	0.1636	0.1636	4.1321	0.1636	0.5927	0.5767	0.3835	0.1636	4.1066	1.8624	0.1636	1.2476	0.1636	0.1636	2.3175	0.1636	0.5713	1.9342	0.2815	0.7524	1.3879	0.7073	0.8332	0.4281	0.1636	0.1636	1.8936	1.1668	3.1937	0.1636	2.8919	0.2234	38.1347	0.5494	0.1636	2.5888	0.1636	0.1636	0.5619
HWESASLLR	1.1962	0.9394	1	0.6224	0.2035	0.2178	1.0161	3.8144	0.2035	4.4823	0.2035	1.3377	0.2243	0.2035	0.2035	2.0044	0.7353	0.2035	1.1036	0.2035	0.3459	0.2035	0.2035	0.2035	0.3637	0.2035	2.0813	0.2035	0.2035	0.2035	2.099	0.3172	0.2035	0.5279	0.2035	0.6237	0.4946	12.045	0.2035	1.1244	0.2035	1	0.2035	0.2035	1.1079
HWESASXX*	1.9977	2.1005	0.592	3.2475	3.0552	1	0.4552	3.814	0.8636	4.8801	0.3616	2.1408	0.9816	0.3604	2.8964	1.1956	0.8793	0.5375	2.3763	0.7491	2.4041	0.1011	0.8354	0.2447	0.6235	7.4758	1.5397	0.1011	6.9402	0.6275	4.1967	0.122	4.6679	1.3536	4.0782	1	0.4438	2.013	1.6833	2.8982	0.1835	0.6044	0.563	0.2571	0.4174
hydantoin-5-propionic acid	0.5465	0.5889	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465	1	0.5465	0.5465	0.5465	2.0291	0.897	3.2054	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465	2.5594	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465	0.5465
hydroquinone sulfate	6.2435	1.0311	2.6824	0.2468	0.3915	0.2468	0.2468	0.2468	1.1302	0.2468	0.4384	0.837	1.4426	0.2468	0.7398	0.2468	0.9423	0.714	2.7226	0.6007	0.7524	0.5151	1.139	0.2468	1.4751	2.1386	0.9689	4.4356	0.8023	0.2468	1.1977	0.2468	4.6879	0.2468	2.0685	0.2468	0.2468	0.6184	0.3514	0.2468	3.0302	0.2468	0.2468	0.2468	0.2468
hydroxybutyrylcarnitine*	0.1587	0.7615	0.1587	0.1587	0.1587	1.6494	16.8574	0.1587	1.1884	0.2922	0.1587	3.09	4.1453	0.1587	0.1587	0.1587	0.3402	0.1587	0.1587	0.1587	0.1587	0.1587	0.8116	0.1587	0.1587	0.1587	0.1587	0.1587	0.1587	2.6653	0.1587	1.1099	0.7632	1	0.1587	4.9145	0.6292	0.365	0.5592	1.9357	1.0356	0.1587	0.1587	0.1587	0.8928
hydroxycotinine	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	0.297	2.2413	0.297	3.7438	0.297	0.297	0.297	0.297	0.297	0.297	1	0.297	0.7675
hypoxanthine	1.2727	0.5725	0.8587	1.2356	1.0582	0.4681	0.3964	0.4371	0.9464	0.8836	0.7414	1.2435	1.4426	1.2026	1.0559	0.7684	1.791	1.0299	1.2537	1.1089	0.8326	0.9831	0.9162	0.8232	0.6829	1.2454	1.363	1.0169	1	0.517	1.4089	2.0294	0.9456	0.9667	1.0106	0.6973	1.3295	1.0698	1.5573	1.2983	0.6871	0.867	1.6525	0.5812	0.9146
imidazole lactate	0.5782	0.8196	0.4723	1.064	1.0693	2.4511	1.6438	0.6595	0.7124	0.8602	1.1471	1.4464	1.4663	1.9807	1.8542	0.4416	0.5882	0.7257	0.5484	0.6351	0.6252	0.936	1.4189	0.8731	1.4741	1.1033	1.3955	1.2422	0.653	0.2832	1.0215	0.5278	1.1316	1.0087	2.0831	1.5885	0.9217	0.8204	2.8365	0.9913	0.2832	1.1104	1.6413	0.4455	0.4733
indole-3-carboxylic acid	0.5316	3.9339	0.2613	1.3791	0.9287	2.7963	2.9729	0.333	0.4957	6.1069	0.1403	1	0.7671	2.0117	0.1403	1.023	0.8424	0.1403	0.2733	2.2079	0.2399	0.6418	0.1403	3.7558	4.1932	0.3649	2.1619	0.1403	0.1403	0.6977	0.4232	2.776	0.1403	3.0904	0.1403	4.9989	0.7184	0.5721	0.6928	3.8075	1	0.8633	3.8743	1.4091	1.6007
indoleacetate	1.5814	2.6862	0.6498	0.9606	0.6103	0.6528	0.4891	0.8536	1.2154	0.6962	1.6371	1.4283	3.7338	2.4534	4.9645	0.932	1.6878	0.6979	0.5535	1.0394	1.4554	0.9044	1.1468	0.3951	0.872	4.9819	1.8641	0.9327	0.9314	0.0841	1.3653	0.8191	2.4266	1	1.2511	1.5442	0.8375	1.1025	1.6879	1.9241	0.5528	0.6829	1.4771	0.7379	0.8651
indoleacetylglutamine	0.574	1.4884	0.155	0.3241	0.155	0.155	0.155	0.155	0.2014	0.155	1.8103	1.6545	4.6217	1.844	6.2107	0.155	0.2153	0.7259	0.2854	0.9616	1.1014	0.155	0.155	0.4616	1.0384	1.7849	2.4249	0.4776	0.155	0.155	0.8554	0.155	1.2968	0.5464	0.8554	1.4469	1.0351	0.9649	1.5809	1.04	0.427	0.155	1.1814	0.2718	0.155
indolelactate	1.2271	1.136	1.016	1.4441	1.1484	2.1726	0.984	0.6822	1.1029	0.4615	1.0525	1.0787	1.6224	1.4092	1.2299	0.6324	0.9238	0.7134	0.677	0.5115	0.7972	0.7627	0.8637	0.5672	0.7863	0.751	1.3151	1.5491	1.0553	0.2984	0.9939	0.9956	1.5686	1	1.4985	0.472	1.0045	0.7908	4.3434	1.0582	0.6178	1.1877	1.9981	0.9776	0.5021
indolepropionate	0.6336	0.9356	3.3337	0.4587	1.1719	1.6599	0.951	0.1433	1.752	0.5523	1.8242	0.6446	0.4339	0.9159	0.6601	1.1572	0.8374	0.582	2.4124	1.049	1.0652	1.2313	1.726	0.4893	0.7018	3.2172	1.3423	1.4226	5.5407	0.114	0.975	2.2235	3.6798	0.9734	0.6027	0.1082	1.8923	1.5224	1.2222	0.9588	1.7991	2.8701	0.7976	0.3479	1
inosine	0.3446	1.61	1.7183	0.8131	0.3384	0.6131	1.0235	0.3666	1.217	1.1899	1.485	0.9592	1.1176	1.4922	1.1389	0.9765	3.6589	2.042	1.0653	0.9374	0.5746	1.4332	0.3983	2.4793	0.3433	0.0389	0.5717	0.7312	0.0338	1.164	1.7413	3.1939	0.2371	1.4487	0.0447	0.9565	1.6926	0.8195	2.49	0.5502	0.641	1.5439	1.9074	1	0.8941
inositol 1-phosphate (I1P)	0.9325	0.6591	1.0174	0.977	0.8807	1.9923	0.7178	0.633	0.8715	1.0405	1.7467	1.0016	1.8025	0.9694	0.5812	1.3763	0.9984	1.2779	1.4878	1.0725	1.1179	1.4551	2.0458	0.5926	0.4152	0.3734	0.551	1.5993	1.0305	1	2.1231	0.8441	0.3734	1.2002	0.997	0.975	0.3734	0.3734	0.5168	1.8749	0.3734	0.3734	1.4579	0.8398	0.3734
isobutyrylcarnitine	0.9165	1.3742	1.0459	0.5403	0.3143	0.2296	0.2064	0.8344	1.5784	0.9058	1.5601	0.4116	1.6988	2.137	1.3817	1.2654	0.8442	0.8868	0.7153	1.5116	3.1153	0.783	1.5163	0.9541	1.7287	2.0329	0.7348	1.3638	0.4791	0.0748	1.4991	1.2378	1.4696	0.6628	1.31	0.1321	1.4688	1	0.5598	1.2734	1.9121	0.8302	0.5163	0.651	1.4317
isobutyrylglycine	0.7473	1.3509	0.6089	1.004	0.3837	0.5331	1.0108	0.4504	1.1256	1.2069	0.7742	0.4217	1.5835	1.2367	0.4561	0.6987	1.1605	0.7152	0.3837	0.4801	2.1444	0.4404	1.612	0.5781	1.3466	1.7249	1.0355	0.996	1.1647	0.3837	1.1954	1.7666	0.7286	0.7704	0.9902	0.8766	1.3229	1.1735	1.3176	1	1.0631	1.1597	0.9377	0.4122	0.6422
isoleucine	0.5661	1.0728	1.1696	0.9353	1.2291	0.4831	1.2656	0.4858	1.0534	1.1221	0.4386	1.0869	0.9794	0.4562	0.1513	0.6028	1.0206	0.5449	0.4798	1.0809	1.0449	0.4441	1.022	1.231	1.0757	0.1839	1.0658	0.4385	0.1443	0.6708	0.2443	1.1557	0.1567	0.9893	0.2261	1	1.0603	1.1928	1.1341	0.9793	1.3766	0.9983	1.2067	1.2506	1.2843
isoleucylleucine	1.1567	1.0658	0.8512	1.9092	1.5776	0.5141	0.2973	1.0398	0.8635	1.5576	1.4754	1.7197	0.6901	1.0006	0.5719	0.9998	2.7866	0.4909	2.023	0.7336	0.9229	1.0002	0.7467	0.6652	1.1616	0.5918	1.4521	0.5417	0.7815	0.6053	4.625	2.3733	1.485	2.9522	1.0457	0.5691	0.6066	0.7527	4.7475	1	0.7413	2.0077	1.5589	0.5592	0.8792
isoleucylvaline	0.1647	0.1647	0.1647	0.7016	3.636	10.8127	0.1647	55.6134	0.1647	101.3933	0.1647	137.9329	0.588	0.1647	0.1647	0.495	0.1647	4.1645	1.5412	0.1647	0.9872	0.1647	0.3094	0.3627	1.0128	0.1647	0.6973	0.1647	0.1647	0.1647	10.909	1.4139	0.1647	0.931	0.1647	0.5432	0.34	0.1647	2.9811	1.069	0.1647	0.3744	0.1647	0.1647	0.1647
isovalerate	0.9862	0.7606	0.0151	0.5179	0.2393	0.9545	0.6623	1.2274	0.8186	1.4944	0.6473	0.0151	1.2794	0.0151	1.5232	1.0061	1.2862	0.4956	0.0151	1.242	1.4368	0.8327	1.2661	0.8513	1.1895	1.6508	1.4971	1	1.0793	0.6442	0.8101	1.8928	0.9682	0.9945	1.8114	0.696	1.0055	0.2335	1.8483	1.1569	0.4637	0.0151	1.2689	0.6634	1.3452
isovalerylcarnitine	1.0338	1.9484	0.6024	0.4428	0.922	0.9191	0.4996	1.3868	2.5974	0.5669	1.0416	1.4283	3.4804	1.7693	3.2708	0.8541	1.6126	0.6132	0.3385	0.7122	0.9662	0.5671	1.6826	0.5213	0.6302	2.3677	1.3569	2.0669	1.2308	0.1828	0.6523	2.0157	1	0.482	2.7068	0.499	0.8488	1.526	2.6139	1.0462	0.6781	0.5126	1.0633	1.2565	0.8811
kynurenate	2.0331	1.8174	0.8996	1.0203	0.6497	0.5059	1.1622	0.315	1.436	0.9797	0.438	1.2271	2.2643	1.8385	1.3794	0.9178	0.7904	1.4509	0.6157	0.9167	0.8368	1.2793	1.0662	0.7897	1.1309	0.359	0.8411	1.3036	1.3647	0.9144	1.2378	0.7994	1.828	1	0.7919	0.2061	0.6467	1.337	2.4032	0.9381	0.7165	0.7692	2.2434	1.1886	1.2837
kynurenine	0.9528	1.1526	2.1254	0.9607	0.5849	0.8843	0.7566	0.5767	0.7841	1.5409	0.8376	1.7813	1.2412	1.5292	1.8812	0.8152	1.1709	1.1606	0.9322	0.9969	3.5734	0.8135	0.8563	0.9169	1.2419	1.7888	1.2009	1.0031	0.9204	0.6027	0.7199	1.1336	1.1849	1.0962	0.6959	2.3442	0.9358	0.7655	1.7371	1.4472	2.4571	3.2998	1	0.8353	0.7781
lactate	1.1606	0.9478	0.6503	1.2773	0.9994	1.5062	1.159	0.5319	1.144	0.8262	0.8334	0.9688	1.2109	1.3325	1.4513	0.886	1.25	1.0006	0.9385	1.2541	0.9065	0.8476	0.9928	0.8034	0.8206	1.1124	1.091	1.0786	1.5416	0.3542	1.0516	1.2054	0.9595	0.9193	1.2803	1.2607	0.9561	1	1.1359	1.5658	0.6942	1.1788	0.9137	0.7968	0.9022
laurate (12:0)	1.0713	1.4714	0.7161	0.8871	0.924	1.4141	1.6375	1.1816	0.8144	1.1417	0.8269	1.6047	1.4773	0.8944	0.8847	1.22	0.8113	0.9653	1.253	1.2083	0.9529	1.1791	0.886	0.7815	1.0324	1.0087	0.9913	0.945	1.1616	3.6117	0.8839	1.4352	0.8448	1.1035	1.0208	1.1973	0.9391	0.7372	1.206	0.7697	0.8454	0.7978	1	1.4154	0.93
laurylcarnitine*	2.6211	1.2769	0.784	0.8814	0.8825	1.1146	3.7456	0.8854	0.8694	1.7534	0.2602	2.2426	1.7481	1.8369	1.8936	1.8563	0.7243	1.4032	0.0588	0.2691	0.5381	1.4959	0.5259	0.246	0.0997	0.7514	1.8574	1.972	0.2885	1.3673	0.7977	4.64	0.3651	1.5641	0.4893	0.1232	1.5169	0.9312	1.8141	1	3.4394	0.0581	1.0323	0.3918	5.3536
leucine	0.9747	1.0277	1.0434	0.8349	1.1806	0.3657	1.1964	0.9533	1.128	1.1145	0.6677	1.0415	1.0182	0.6717	0.3366	0.8956	1.1563	0.9549	0.9069	1.0817	1.0196	0.3074	0.9999	1.1667	1.0001	0.3416	1.0496	0.8518	0.2587	1.1129	0.1739	1.0567	0.2028	0.9171	0.3374	0.8583	1	1.1205	1.1311	0.8712	1.1916	0.9126	1.1266	1.1141	1.1935
leucylleucine	1.7248	1.0113	0.5932	2.0444	3.0746	1.4436	1.2959	2.5023	0.5664	3.2208	0.3741	4.604	0.9887	0.4324	0.6748	1.0935	0.7872	0.3876	1.2316	0.7227	2.4818	0.2189	0.4853	0.3189	0.8829	2.1027	1.4118	0.0542	1.9776	0.6497	3.3243	1.5738	0.8761	1.2576	0.7769	0.6615	0.0542	3.7225	3.4159	2.1396	1.1239	0.5602	0.8434	0.5753	0.7688
linoleate (18:2n6)	1.6482	0.584	0.9216	0.936	0.861	0.6086	2.2422	1.2175	0.7648	2.6632	0.4063	4.3273	7.2045	1.2916	0.7177	0.9513	0.522	1.6884	1.1624	1.0954	0.9776	2.5443	1.1053	0.4718	0.5994	1.0224	0.6793	2.3411	2.1428	0.9956	1.7601	2.5357	0.8173	1.8699	1.1487	0.7929	1.3803	0.4802	1.8686	0.6855	1.6788	0.8843	0.9245	0.3664	1
linoleate, methyl ester	0.226	0.3008	0.226	0.226	0.226	0.226	0.226	0.226	1.4479	0.226	0.226	0.226	0.2269	0.226	0.226	0.226	0.226	0.226	0.226	0.226	0.5521	0.226	0.268	1.5028	1.8583	3.0258	3.4279	0.226	0.226	0.226	0.226	0.226	0.5971	0.226	0.226	0.226	0.6361	0.226	1.6234	0.226	0.226	0.226	0.226	0.226	1.3639
linolenate [alpha or gamma; (18:3n3 or 6)]	0.8729	0.6103	0.4697	0.4658	0.6519	1.4529	2.3415	1.4008	1.1123	4.3618	0.7328	4.043	5.4023	1.2233	0.5651	2.3718	0.4455	2.0103	1.4358	1.9164	1.1604	2.2503	0.7104	0.5695	0.5671	0.7219	0.8877	0.8255	1.7418	0.5985	0.6583	3.1158	0.3317	2.7256	0.8165	1	1.0853	0.3201	3.0041	0.6649	1.1461	0.5049	1.6242	2.0457	0.8114
linoleoylcarnitine*	1.0488	1.0668	1.1806	1.1018	0.8472	0.63	0.5804	0.8762	1.9028	2.0104	0.5684	1.6626	0.8563	1.4459	1.3666	1.4988	1.2406	0.852	0.9619	0.7308	0.6984	0.7786	0.9294	0.4819	0.9382	1.0381	3.7095	1.2368	1	0.1115	0.5547	2.1128	1.6725	0.7389	2.0582	0.6792	1.5825	1.4698	0.816	0.7333	3.0988	1.2296	1.1901	0.3428	0.7591
L-urobilin	4.5363	16.9998	0.2271	0.3187	2.2453	0.2271	8.7686	0.2271	0.2271	0.2271	0.2271	4.3953	6.5247	4.7644	0.3232	0.2271	1	0.2271	0.2271	0.9008	0.3675	0.2271	0.2944	0.2271	0.2271	0.2271	0.3476	0.2271	0.2271	0.2271	0.7127	0.2271	0.4215	1	3.5313	0.2271	0.2271	0.6488	0.2271	0.2271	3.119	0.2271	0.2271	0.2271	5.0862
lysine	0.9394	0.9274	0.9056	0.9708	1.0272	0.9079	1.0219	1.0883	1.1295	1.1425	1.0028	1.2748	1.0934	0.9882	0.3795	1.2649	1.0718	0.9426	0.9239	1.0927	1.2018	0.9972	0.9215	1.0267	0.9855	0.3355	1.0781	0.9104	0.24	0.9606	0.844	1.0224	0.297	1.0174	0.3503	0.9179	0.9799	1	1.0005	0.9517	1.069	1.0771	1.0357	1.1504	1.0499
malate	0.9404	0.6822	0.5199	1.1563	0.9544	3.2878	3.3766	0.5009	1.5321	1.0456	0.9384	1.1766	1.1867	1.4524	1.8739	0.6641	1.1719	0.7265	1.3569	0.9426	0.6286	0.5758	1.1412	0.7319	0.8512	1.14	1.1142	0.9241	1.1242	0.4964	1.1318	1.0928	0.5431	0.58	0.7826	1.6866	0.5096	1.0092	1	1.0812	0.7657	1.0657	1.1639	0.5176	0.968
mannitol	0.8831	3.2698	0.4995	0.8693	0.9605	1.5466	1.2469	0.4419	0.7755	1.623	1.4558	4.9727	0.8913	4.9914	0.9852	1.6714	0.7815	1.0148	0.7672	0.4431	0.4739	0.664	1.1647	0.7328	1.4977	9.8916	1.1102	1.0723	0.6324	0.4419	1.0945	0.7853	0.7452	1.1715	0.8948	1.4901	0.9055	0.8929	1.3269	1.8708	1.2747	1.3084	0.873	0.873	1.1922
mannose	1.0531	1.4544	0.7099	0.9848	0.5571	0.9198	1.2438	0.9861	0.729	1.0915	0.9548	1.0139	1.5487	1.2311	1.3061	1.1442	0.8818	0.9365	0.7536	0.6637	1.0353	1.0809	0.6305	0.8487	1.1653	1.4366	1.3911	0.9598	1.27	0.9652	1.8002	1	0.6247	1.5757	0.5895	1.0144	1.6212	0.507	2.9194	1.3401	0.72	0.7597	0.7937	0.9063	1.382
margarate (17:0)	0.9101	1.0133	0.7215	0.9305	0.9747	0.9255	2.9798	1.0516	1.0903	1.9598	1.0697	2.2285	3.905	1.114	0.973	0.8092	0.8862	1.0357	0.8976	1.6224	1.2984	1.5516	1.0914	0.9867	0.7832	0.7765	0.946	0.9552	1.5052	1.2637	1.0014	1.4239	0.7736	1.5885	0.9451	0.7471	1.2291	0.7649	1.1495	0.9322	1	0.7343	0.9836	1.0764	0.9726
mead acid (20:3n9)	1.0326	0.8407	0.6989	0.6639	0.5001	2.3697	16.3471	0.8836	1.2394	9.4132	1.4491	2.2911	5.0126	2.6628	1.9519	0.9399	0.8462	0.6921	0.5074	0.831	2.099	1.5125	1.2093	0.2706	0.5298	1.2499	0.6085	0.9674	1	0.9092	0.3486	1.9173	0.5276	1.7627	1.0303	0.2585	2.5726	0.4426	2.306	0.8048	1.0541	0.5878	1.9168	0.6788	1.5543
methionine	0.9465	0.8342	1.1041	0.928	1.2167	0.9274	1.2127	1.1488	1.1572	0.9923	0.9378	1.1626	1.0512	0.9917	0.3038	0.8785	1.1631	1.0889	1.0889	0.8429	0.7922	1.1794	1.0443	1.1526	0.9495	0.3476	0.9639	1.0077	0.204	1.282	0.6426	1.0134	0.3285	0.8346	0.3253	0.8523	1	1.1881	1.0006	0.8918	1.3255	1.0313	1.1238	1.1926	0.9859
methyl glucopyranoside (alpha + beta)	0.1198	0.8349	1.1225	0.6618	0.1198	3.7116	2.0427	0.2256	0.555	0.2424	0.8761	0.1198	0.1198	1.2039	1.9256	0.1198	0.1198	0.2172	1.0116	0.8984	0.5531	1.0322	1.2024	0.9884	1.523	1.3959	0.1198	2.6071	0.8812	0.1198	2.686	0.9056	1.8114	1	2.6217	7.1533	0.8698	0.432	0.9057	1.4511	0.8847	1.9734	13.1591	0.1198	0.6326
methyl indole-3-acetate	0.1371	1.7064	0.1371	0.1371	0.1371	0.1371	0.1371	0.1371	0.1713	0.1371	0.7871	0.4218	4.3615	1.7667	1.98	0.1371	0.1371	0.1371	0.1371	0.1371	0.1371	0.1371	0.1371	0.1371	0.1371	1.2129	0.1774	0.1371	0.1371	0.1371	1.278	0.1371	0.7881	0.6676	0.1371	0.1371	0.1371	0.1371	0.1371	0.1371	0.1371	1.2119	0.1371	0.1371	0.1371
myo-inositol	1.0168	0.9257	1.068	0.9065	1.2363	1.0554	1.1034	1.0696	1.0493	1.0904	0.8589	1.0627	0.9105	0.8177	0.1756	1.309	0.9936	0.9651	0.9674	1.0339	1.0908	1.0264	0.8935	0.9828	1.0064	0.0866	0.8773	0.8661	0.0582	1.3617	0.6021	1.144	0.0721	0.9459	0.0703	1.0091	0.9522	1.1422	0.8731	0.7501	1.3657	1.0595	1	1.244	1.1625
myristate (14:0)	1.0196	1.3307	0.6296	0.8852	0.9173	1.7017	2.7999	1.2505	0.9878	2.1695	0.8416	2.5968	4.0759	1.0877	0.8159	0.9263	0.7599	1.4336	1.3949	1.6973	1.0122	1.6214	0.872	0.7355	0.7858	0.9872	0.7954	0.8368	1.2659	1.8145	0.7281	1.8057	0.6146	1.9363	1	1.0271	1.1466	0.7177	1.47	0.6715	0.8721	0.6705	1.1844	0.9973	0.8511
myristoleate (14:1n5)	1.983	1.2919	0.3344	0.5612	0.3421	3.2601	6.1702	1.7642	0.6216	3.9531	0.5983	3.2298	4.0965	1.701	0.8276	1.2405	0.3476	2.1989	1.6143	1.1341	0.804	3.2602	0.4325	0.3238	0.289	0.8659	0.4419	0.7181	1.5042	1.0891	0.3698	2.1609	0.2156	2.56	0.689	0.4464	1.1328	0.2029	1.9427	0.2993	1.4818	0.1125	1.8815	0.7027	1
myristoylcarnitine	1.5342	1.7429	0.4271	0.6337	0.6768	1.5318	6.185	0.5478	1.6326	3.2505	0.5516	1.82	1.4718	2.7927	2.1015	0.961	0.8834	1.728	0.2034	0.5148	0.3882	1	0.6085	0.3116	0.2034	0.6005	4.0845	1.8763	0.4457	2.0006	0.4067	3.4977	0.9322	1.9049	1.8872	0.5813	1.7409	0.8598	1	0.4812	2.5834	0.3021	1.6377	0.43	2.8444
N-(2-furoyl)glycine	0.731	1.2925	0.2181	0.3784	0.6365	0.5197	0.0874	0.0874	0.5536	0.0874	1.1393	0.1854	0.9779	1.3135	1.5504	0.5776	0.4924	0.0874	1.6595	0.6838	1.0737	0.0874	1.6007	1.0221	1.8823	1.6008	1.3068	3.1279	0.0874	0.2495	3.4708	0.0874	0.7282	0.545	1.997	1.0946	0.0874	2.7853	0.9054	1.4914	0.4818	0.6125	0.2993	4.4758	3.8935
N1-Methyl-2-pyridone-5-carboxamide	0.4542	0.5409	0.903	1.5163	0.4611	0.4151	0.1575	1.8361	1.7586	3.3559	1.3202	3.3714	3.8631	1.2041	0.4904	1.3759	1.7915	1.6189	1.777	0.8257	0.649	2.0124	0.3841	0.9311	0.4863	0.8663	1.0689	0.9121	1.1343	0.1304	1.1011	0.6723	3.0518	0.4147	1.3158	0.1093	0.3531	0.4918	1	1.4983	1.3551	1.3138	0.3769	1.1885	0.3239
N1-methyladenosine	1.0288	1.0978	0.8249	0.8517	0.4648	1.0747	0.9005	0.6549	1.1286	1.6623	1.6038	1.2189	1.9371	1.474	1.8384	0.5156	0.9229	1.0125	0.6526	0.8853	0.9555	0.7201	1.1848	0.8838	0.8203	0.9875	1.4366	1.2512	1.1667	0.5333	0.9783	1.0477	1.241	1.0955	0.7517	1	1.053	0.8421	1.2128	0.7887	0.8616	1.1558	1.058	0.7425	0.7377
N1-methylguanosine	0.8036	0.9223	0.9426	0.857	0.4264	0.2116	1.1215	0.2116	1.438	1.1204	0.2116	1.2701	1.5089	1.5266	1.9279	0.2116	1.2408	1.0766	0.7258	1.2865	0.8184	0.7094	0.5416	0.658	0.8383	1.8568	1.7462	1	0.9438	0.2116	0.4097	1.4849	1.0607	0.837	1.4921	1.1986	0.5935	0.5933	1.8112	0.95	1.05	1.1502	1.2194	0.6066	0.5355
N2,N2-dimethylguanosine	1.2623	1.1304	0.6118	0.8134	0.8724	0.9705	0.883	0.5033	1.1583	1.3582	0.9891	1.3079	2.264	1.4084	1.6299	0.7269	0.8637	1.1632	0.871	0.814	0.9254	0.5709	1.1133	0.9817	1.0509	1.3472	1.3756	1.0109	1.3648	0.2814	1.1877	1.1022	1.1663	0.9188	1.5342	1.3798	0.7703	0.8662	0.594	0.8791	1.2397	1.2154	1	0.6495	0.7958
N4-acetylcytidine	2.0662	0.6726	1	1.6169	0.2719	0.4766	0.2719	0.752	1.4038	1.2941	1.4821	0.8476	1.4902	1.5834	2.9209	0.5707	0.8147	0.5005	1.0662	0.4316	0.5625	0.6631	1.1532	0.4536	0.6899	1.7168	3.9958	1.2309	1	1.0217	2.553	0.4034	0.4629	0.8646	1.1757	1.7954	1.175	1.2633	0.9378	1.5686	0.6681	0.8638	1.1062	0.2941	0.9122
N6-acetyllysine	1.1878	1.4585	0.6543	0.9169	0.634	1.0651	0.8062	0.4242	1.1067	0.9157	1.3959	1.2368	2.4923	1.6453	1.7055	0.6752	1.0029	0.8901	1.0864	0.9346	0.9869	0.7188	0.9971	0.8264	1.0649	0.894	1.3798	1.0349	0.9065	0.6234	1.3238	1.1574	1.2775	1	1.3196	1.1063	0.7307	0.8431	1.2177	1.1443	0.7626	1.2553	0.8719	0.6366	0.5826
N6-carbamoylthreonyladenosine	1.3609	1.5707	0.1856	0.5987	0.662	1.2601	0.8083	0.6127	1.2557	0.99	1.0088	1.1727	2.486	1.5735	2.0452	0.7123	1.2779	0.5816	0.9912	1.1755	0.2075	0.5386	0.5282	0.5956	0.8892	1.8315	1.1615	1.0676	0.5265	0.6586	1.3871	1	1.5293	1.0287	1.2773	1.1383	0.8303	0.4504	1.2706	1.0754	0.8511	1.0761	0.7665	0.4186	0.7322
N-6-trimethyllysine	1.8201	1.1405	0.1081	0.835	0.3483	1.7585	0.2028	0.2472	0.8595	1.2483	2.0395	1.167	1.8731	2.5217	2.7727	0.839	1.1681	0.8511	1.2206	0.5719	0.5936	0.4467	0.6301	0.5543	0.6878	1.8252	1.9795	1.2405	1.5133	0.1081	2.0194	0.9949	2.4774	0.8435	1.4711	0.4039	0.581	0.5566	1.0051	1.1849	0.5219	1.9137	1.096	0.2077	0.4798
N-acetylalanine	1.3227	1.1087	0.4183	0.7877	0.6986	1.1404	0.8836	0.6924	1.3382	0.9106	1.3397	0.98	1.5051	1.7669	1.7475	0.7663	1.1204	0.9442	1.3561	0.8927	0.9822	0.834	1.0178	0.8052	0.965	1.4435	1.0994	1.0312	1.0838	0.5031	1.2716	0.9273	1.2989	1.1207	1.0877	1.073	0.7648	0.9663	1.5896	1.5588	0.6997	1	0.871	0.5787	0.6551
N-acetylalliin	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	1	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	1.6673	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327	0.3327
N-acetylarginine	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	1	0.6457	0.6457	0.6457	0.6457	0.6457	4.068	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457	0.6457
N-acetylaspartate (NAA)	1.1556	1.0421	0.4787	1.0239	0.3795	1.5342	0.5369	0.2467	1.3244	0.7385	1.1996	1	1.8061	2.226	1.2325	0.5857	1.6408	0.9329	1.7232	0.991	0.8424	0.6064	1.2846	0.9502	0.6817	1.0092	0.637	0.6766	1.7524	0.2467	2.0698	0.7175	1.0962	0.9423	1.0282	0.2467	0.6906	1.041	1.2278	1.3202	1.1657	0.8892	0.9718	0.3736	0.762
N-acetyl-aspartyl-glutamate (NAAG)	0.5003	0.7898	0.5003	1	0.5003	0.5003	0.5003	0.5003	0.9675	0.5003	0.5003	0.5003	0.831	0.8917	0.7772	0.9255	2.2434	1.1006	1.1909	1.1517	0.5003	0.5003	1.0532	0.5003	0.5003	4.0344	1.327	0.6083	1.0286	3.5647	0.5003	0.7606	1.3263	0.8048	1.1887	0.5003	1.023	0.5003	1	0.5903	0.5003	0.953	0.5003	0.5003	0.5003
N-acetyl-beta-alanine	2.0613	1.5479	0.5628	1.0747	1.447	1.1572	0.9247	0.324	1.1344	0.2723	0.9949	1.0617	1.7538	1.791	1.8474	1.1746	1.6912	0.7538	0.8903	0.7542	0.268	0.8072	1.1689	0.5082	0.873	0.9457	0.8773	1.0051	1.0066	0.6352	0.7143	1.3829	1.1549	1.0522	1.5882	1	1.1113	0.7042	1.6186	0.8359	0.5293	0.5396	3.1266	0.781	0.3758
N-acetylcarnosine	1.2016	0.8649	1.0454	2.0266	0.366	1.5252	0.9569	0.8834	2.2065	0.9562	1.4843	0.722	1.4873	1.2886	1.1347	0.5679	0.9864	0.8911	1.4465	0.7419	0.6168	0.6872	1.0136	0.7222	0.6923	2.0155	2.8293	1.0587	0.6645	0.366	1.2408	0.9435	3.9055	0.4014	1.5723	0.7848	0.9844	1.4487	1.5532	1.4735	0.4624	1.0705	1.0156	0.9551	0.7181
N-acetylglutamate	0.9909	0.9429	0.9312	0.5219	0.3866	1.6589	2.6185	0.3866	1.3413	0.6179	1.8262	0.8267	3.9228	2.4521	0.785	0.3866	1.8189	1.0087	1.073	1.1326	0.3866	0.9913	1.705	2.5926	0.4766	0.8943	0.3866	0.7712	0.544	0.7541	1.9208	0.6416	2.2387	1.6702	2.5645	1.2278	0.7722	2.6599	1.6575	0.4871	0.3866	0.3866	0.6635	0.3868	0.3866
N-acetylglutamine	0.8802	1.1322	0.5314	1.1583	0.5869	4.2703	2.8845	0.4355	0.185	0.6056	0.185	1.0863	1.3772	0.8698	0.776	1.4873	0.8753	1.0038	1.2456	1.0872	1.6361	0.3538	1.0142	1.6676	0.7611	0.7351	1	0.6695	0.1955	0.7857	0.9909	0.8685	1.0455	1.8375	0.185	3.9474	1.0289	1.0091	3.3706	1.4445	0.706	1.12	0.754	0.6391	0.9504
N-acetylglycine	0.8948	0.7257	0.3595	1.2041	0.5081	7.3762	2.8273	0.6661	0.987	1.0251	1.1036	1.5577	1.7851	1.6493	1.6996	0.6086	0.9176	1.1904	1.013	0.6734	0.4732	1.2417	0.8037	0.8437	0.8045	0.8885	1.4269	1.048	0.5872	0.4101	1.3622	1.0815	0.9902	1.526	1.0675	3.5505	1	0.9715	1.5726	1.1531	0.5945	1.6559	0.602	0.355	0.5581
N-acetylhistidine	0.8356	1.2015	0.3841	0.5478	0.3841	1.3998	0.5851	0.5525	0.99	1.3487	1.1639	0.8626	2.2316	1.01	6.1481	0.3841	0.6153	1.2565	0.8934	0.9296	0.3841	0.3841	1.0442	1.331	1.4674	0.4627	1.1135	0.9746	0.3841	0.519	0.5364	0.9962	1.5609	1.898	0.9183	1.7001	1.076	0.7038	2.4542	1.0038	1.4643	0.592	1.4236	0.8634	0.8311
N-acetylisoleucine	0.9205	0.8526	1.1942	0.4804	0.7249	1.6979	1.5585	0.7345	1.2736	0.5741	1.0492	1.097	1.4611	1.2747	0.9026	1.2887	1.1908	0.9684	1.1516	0.6078	1.009	0.6432	0.991	0.8334	0.9721	0.8874	1.2685	1.4659	0.1274	1.0228	1.0742	0.5219	0.9192	0.5991	1.1699	0.7667	0.6143	1.0706	1.4509	1.2631	0.8283	0.6114	1.0723	1.0567	1
N-acetylleucine	0.9915	1.2242	0.8985	1.0085	0.9093	1.6521	2.4107	0.6971	0.9344	0.6407	0.7573	1.0175	1.5597	1.2335	0.9169	1.2126	1.6553	1.0383	1.0807	0.952	1.7046	0.6313	0.8686	1.1041	0.5412	1.0659	0.8301	0.8269	0.5412	1.3153	1.1676	0.9585	0.9325	0.9728	0.8724	1.2272	1.144	1.434	2.0919	0.9026	1.0272	0.9062	0.8628	1.0961	0.7033
N-acetylmethionine	0.8017	1.6903	0.3837	1.0079	0.6377	1.0092	0.9669	0.7597	1.2599	0.6628	1.1037	0.5196	1.5758	1.4805	1.8982	0.7029	1.3588	1.0837	1.2843	0.5001	0.8206	0.4248	1.0231	0.7842	0.9165	1.2934	0.9921	1.2332	1.3888	0.1297	1.3597	0.7542	1	0.5505	1.0663	1.1057	0.6929	1.2539	1.1528	1.9542	0.6071	1.1587	0.4507	0.3941	0.5305
N-acetylmethionine sulfoxide	0.2491	1.384	0.2491	0.2491	0.2491	0.2491	0.2491	0.2491	1.1816	1	0.2491	0.2491	0.2491	0.2491	0.2491	0.2491	0.2491	0.2491	0.2491	3.5787	0.2491	0.2491	0.6476	0.2491	0.6041	0.2491	0.2491	0.6587	0.2491	1.9644	0.2491	0.2491	0.2491	1.4666	0.2491	0.2491	0.5334	0.2491	0.3433	0.2491	0.2491	0.2491	0.2491	0.2491	1.762
N-acetylphenylalanine	0.8794	1.457	0.7635	0.8625	0.5346	2.4628	2.3513	0.5796	1.2889	0.8377	1.1429	0.5724	1.5257	1.4577	2.0817	1.216	2.0295	0.6874	0.7554	0.6004	0.7839	0.4983	1.0683	1.1081	1.2166	0.9654	0.8712	1.0346	0.5676	0.5633	0.5555	1.1854	1.0394	1.4371	0.9016	1.8871	0.5538	1	3.2774	0.7051	1.0265	0.6203	2.7379	0.9354	1.3519
N-acetylthreonine	0.9671	1.0895	0.602	0.939	0.621	0.9754	0.6356	0.8489	1.2832	0.9741	1.1275	1.1557	1.9369	1.2873	1.6049	0.8146	0.98	0.9574	1.1248	0.9355	1.0317	0.654	1.1372	0.8422	1.0649	1.6147	1.3773	1.02	1.1241	0.4656	1.1944	1	0.761	1.0459	0.9518	1.0226	1.0063	1.0443	1.4954	1.1283	0.7078	0.9638	0.7439	0.531	0.8241
N-acetyltryptophan	0.9807	0.1642	0.7238	0.5523	0.1642	4.5971	2.3828	0.1642	0.7929	0.2514	1.3636	0.1642	0.1642	1.3746	1.3466	1.5008	1	0.1642	0.1642	0.1642	0.819	0.1642	0.6302	0.1642	1.1027	0.1642	2.2934	0.1642	0.7853	0.1642	0.1642	1.8209	0.8375	1.6943	1.592	0.445	0.5212	1.5846	5.9219	0.4117	0.1642	0.4049	3.5755	1	0.1642
N-acetyltyrosine	0.4303	2.3723	0.7974	0.3459	0.3459	0.3459	2.2001	0.3459	1.2463	0.4207	0.3459	0.5436	1.6052	0.3459	1.0767	1.0709	3.3982	0.3459	0.3459	0.3459	1.1583	0.3459	0.3626	0.9291	0.8081	0.4707	1.2863	0.3459	0.5591	0.3459	0.3459	0.8021	1.1437	0.8911	0.6007	1.823	0.3459	0.5762	2.0961	0.3459	0.3459	1.1089	1.2783	0.5936	1.1562
N-delta-acetylornithine	0.7275	0.6362	0.6256	1.1836	0.1429	1.5312	0.7575	0.8816	3.5691	7.6285	11.5384	0.9413	1.811	3.5777	2.984	0.2822	0.2065	1.0511	0.4975	1.3335	0.7424	0.1584	1.1606	0.4099	0.9489	1.649	8.9968	1.6967	1.6923	0.1429	3.3752	0.6278	0.5554	0.9676	2.9622	1.0324	0.4371	0.4676	1.5297	1.1842	0.8949	1.6941	0.5863	0.3112	4.4884
N-formylmethionine	1.0484	0.9982	0.793	0.9573	0.6906	1.5614	1.3196	0.6965	1.1371	0.867	1.249	0.9702	1.4719	1.6298	1.9088	0.8173	1.2506	1.0018	1.1741	0.7606	0.9442	0.7712	0.9475	0.8393	0.9917	1.4257	1.2393	1.2523	1	0.4922	1.1815	0.8509	1.2304	1.0956	1.1035	1.2075	0.8787	0.9349	1.3684	1.2952	0.6654	1.1447	0.992	0.7493	0.739
nicotinamide	0.9405	0.9674	1.2894	0.8272	1.2182	1.0065	1.1504	1.0217	0.9935	1.1122	0.7855	1.0429	0.7319	0.8043	0.0266	1.1907	0.8728	1.202	0.9854	1.0705	1.1556	1.0245	0.9773	1.1664	1.1046	0.0111	0.958	0.9215	0.0132	1.4655	0.5458	1.1472	0.0207	0.8945	0.0374	1.0204	1	1.0832	0.8837	0.8353	1.4465	0.9982	1.1802	1.3027	1.2918
N-methyl proline	3.0124	0.6417	2.6503	2.3481	0.1553	0.546	0.2602	1.2642	2.5824	0.5756	1	0.3214	1.127	1.6112	7.9238	1.0249	0.6864	0.1553	2.2588	0.4009	0.5874	0.6306	0.5614	1.8321	1.3492	0.8448	0.7135	7.0901	1.1379	0.1553	1.1089	1.5673	1.5038	1.0917	0.9083	0.1784	0.4982	4.2022	0.4474	1.7779	1.8058	0.4412	0.6572	0.6532	0.1914
N-oleoyltaurine	0.4549	0.4549	0.4549	0.4549	0.4549	0.4549	7.242	0.4549	1.0537	2.0282	0.5623	1.48	0.8541	0.4549	0.4549	0.4549	0.4549	0.6073	0.4549	0.4549	0.4549	0.4549	0.4549	0.7541	1	1.917	0.4549	0.4549	0.4549	0.4549	1.1108	1.0639	0.4549	0.4549	0.4549	0.4549	0.8688	0.4549	1	0.6192	0.4549	0.4549	0.4549	0.4549	0.4549
nonadecanoate (19:0)	0.9399	1.1402	0.7701	1.0719	1.0169	0.9142	2.3648	1.1221	1.0348	1.3728	0.9831	1.4387	1.7801	0.8686	0.872	0.8499	0.9624	0.852	0.9149	1.0723	1.1209	1.2475	1.1402	0.9462	0.9449	1.0574	0.9191	0.9744	1.3944	1.1054	0.9646	1.2586	0.9352	1.4639	0.9627	0.8315	1.2427	0.9566	1.1724	0.9424	1	0.8184	0.9018	1.0365	1.0099
N-palmitoyl glycine	0.8861	0.5548	0.883	0.5707	0.2512	1.4927	2.5445	1.06	1.8343	1.8734	1.2377	1.9578	2.0851	0.9288	0.8244	0.4103	0.5099	1.9603	1.5263	0.4947	0.4094	1.3837	1.1499	0.4705	1.2857	1.7484	0.94	0.7896	1.5897	0.469	2.6089	2.1847	0.9863	1.0561	1	0.4774	1.4011	1.0464	1.2878	1.1665	0.4917	0.4678	0.8852	0.4533	0.9519
N-palmitoyltaurine	0.6996	0.5965	0.5965	0.5965	0.5965	0.5965	2.2941	0.5965	0.5965	0.5965	0.5965	1.1121	0.5965	0.5965	0.5965	0.5965	0.5965	0.5965	0.7888	0.5965	0.5965	0.5965	0.5965	0.5965	0.5965	1	0.5965	0.5965	1	0.5965	1.309	0.8738	0.5965	0.5965	0.5965	0.5965	0.5965	0.5965	1.2551	0.5965	0.5965	0.5965	0.5965	0.5965	0.5965
o-cresol sulfate	1.2202	1.6305	1	0.3935	0.2511	0.8583	0.1378	0.4549	1.6734	0.5363	0.1378	0.2391	1.2081	1.9464	4.2067	0.8743	0.1378	0.404	2.2417	0.6187	1.3323	0.5677	6.126	1.9449	4.095	0.9068	0.955	2.8171	0.3878	0.1378	1.7422	0.1378	1.9213	2.4555	1.0074	9.2917	0.2908	0.7717	0.5319	0.9926	0.8479	0.828	1.1906	2.163	1.5857
octadecanedioate	0.9646	0.983	1.2409	0.9663	0.6888	1.1697	1.9518	1.1972	0.7163	1.3359	0.799	1.2435	1.321	1.1793	0.4438	0.6963	1.4079	0.8881	0.8408	0.8256	0.8241	0.914	1.6386	1.2755	1.2133	0.9051	1.017	1.153	0.7902	1.2835	1.1355	0.8649	1.3609	1.5301	0.63	1.0394	0.7422	0.7328	1.1582	1.0656	0.6254	0.833	0.7752	1.1233	1
octanoylcarnitine	4.9902	1.6706	0.4362	0.852	0.7746	1.5529	2.3665	1.5451	1.0279	0.9721	0.3965	2.8314	3.5219	1.6809	1.3751	1.8232	0.7406	1.2112	0.3567	0.6182	0.6778	1.5826	0.3858	0.4468	0.2098	0.687	0.8439	2.303	0.542	0.8079	1.5586	9.1619	0.5886	4.9262	0.654	0.4778	2.5775	0.7708	4.5752	1.0282	4.7983	0.3339	1	0.7765	9.2869
oleate (18:1n9)	1.2096	0.9563	0.6571	1.1325	0.8068	1.1688	5.45	1.5631	0.6458	2.4397	0.6043	3.5484	6.1247	1.4511	0.6961	0.7028	0.5871	1.4912	1.0437	1.1274	0.9001	2.4023	0.9076	0.7832	0.8785	0.6702	0.735	1.2397	1.0779	1.5776	1.0537	1.8065	0.2539	2.8227	0.9079	0.5774	1.3889	0.265	1.7681	0.6821	1.3322	0.4061	0.987	0.6311	1
oleic ethanolamide	0.6944	0.9322	0.6544	0.291	0.856	2.0239	2.6938	0.605	1.1992	1.7601	0.7544	1.2522	2.7579	1.3268	1.0678	0.1191	0.6436	1.4793	1.1178	0.4675	0.3331	1.3832	1.2701	0.7532	0.6575	2.7377	0.6636	1.2972	1.3307	0.674	1.7369	1.5171	1.6564	1.1509	0.1232	0.6623	1.6417	1	1.2112	1.2878	0.9364	0.7387	0.7163	0.6123	0.9555
oleoylcarnitine	1.1304	1.3779	0.622	1.2535	0.7588	1.1188	1.6037	0.7344	1.3879	2.0556	0.5533	1.7472	0.9705	1.8661	1.6635	0.8499	1.1294	0.8272	0.7136	0.735	0.6703	0.8965	0.9661	0.7139	0.8452	1.0295	2.6757	1.0531	0.8121	0.4353	0.4035	1.9783	1.1	1.3339	1.6757	0.9058	1.8546	1.1987	1	0.7032	3.0705	0.8426	1.4729	0.6652	0.9642
O-methylcatechol sulfate	1.3271	0.7614	3.8004	0.1282	0.4022	0.1635	0.0623	0.8383	4.1231	1.0576	1.272	1.1784	0.8672	1.6649	1.589	0.9226	0.4317	0.4935	2.9399	1.508	1.7291	0.7058	1.066	0.2192	0.5122	0.9424	1.4952	3.7852	0.7636	0.0623	0.869	0.6216	2.3739	5.3483	1.1393	0.5539	0.9462	0.6771	1.6317	5.4523	3.6344	1.0158	0.9842	0.9485	2.0655
ornithine	1.3624	0.9291	0.8127	1.1191	0.9772	1.1053	0.8844	1.0824	1.1459	0.9612	1.0096	0.9598	0.9198	0.9198	0.4083	2.1713	0.9904	0.9031	1.0473	1.1291	1.763	1.412	0.7836	1.1211	0.8369	0.4944	1.4638	1.1126	0.6715	1.2421	2.213	1.1051	0.6803	1.1519	1.1867	0.7705	1.178	1.4449	0.9596	0.8908	0.8524	0.9479	0.909	1.0279	1
O-sulfo-L-tyrosine	1.1504	1.7704	0.7403	1.0075	0.9784	0.358	0.8855	0.5427	1.1606	0.8699	1.026	1.9439	3.1949	1.355	1.2534	0.6843	1.3901	0.4866	0.6281	0.9925	0.9613	0.1154	1.0793	0.9517	1.1313	2.2419	1.1743	0.7643	0.7532	0.089	0.1642	1.1192	1.1931	1.2294	1.2775	1.1573	0.9125	1	1.5019	0.9414	0.7001	1.1877	1.0459	0.5819	0.7449
p-acetamidophenylglucuronide	0.0202	1.9702	0.0202	0.0202	0.0202	0.0202	0.0202	0.0202	0.0202	0.0202	0.0202	0.0202	0.0202	0.0202	9.5304	0.0202	0.0202	0.0298	0.0202	0.0202	0.0202	0.0202	0.0202	0.0202	0.0202	0.0202	0.0202	0.0202	0.0202	1	0.0202	0.0202	0.0202	0.0291	0.0202	0.0202	0.0202	0.0202	0.0202	0.0202	0.0202	18.8399	0.0202	0.0202	0.0202
palmitate (16:0)	1.1056	0.9495	0.5901	0.9979	0.9797	1.1957	2.8251	0.8853	0.9553	1.776	0.8173	2.6103	3.8683	1.1473	0.796	0.6115	0.7044	1.4012	1.015	1.4865	1.0021	1.9037	1.2173	0.6618	0.6178	0.8961	0.8587	1.089	1.4093	1.1689	1.0527	1.4153	0.6692	1.8586	0.9912	0.6646	1.4013	0.5849	1.3157	0.752	0.8997	0.6145	1.1724	0.5267	1
palmitate, methyl ester	0.7554	2.695	0.5467	0.9946	0.4598	1.2641	1.063	0.4598	12.4467	0.5925	0.7826	0.5449	1.0054	1.1678	0.5874	0.4598	1.3801	0.7633	0.6366	0.9116	5.774	0.6437	1.2823	9.1606	11.8013	21.719	28.9119	0.7012	0.5296	1.5212	0.8236	0.4598	8.4094	0.8996	0.4598	0.4598	8.4873	0.8136	20.2502	1.1486	0.5749	1	0.7202	0.4598	18.5166
palmitoleate (16:1n7)	1.0301	0.5911	0.4734	0.6913	0.4631	2.7701	11.3536	1.6695	0.4432	5.4912	0.6477	4.7192	8.3023	2.4879	0.9699	0.7627	0.4952	2.1515	1.4842	1.7519	1.1613	3.4485	0.4739	0.4427	0.3022	1.2479	0.5574	0.5277	1.0948	1.136	0.4087	2.7277	0.2804	5.1741	0.8431	0.8839	1.5781	0.2994	3.9478	0.5089	1.6061	0.223	2.1277	0.5173	1
palmitoyl ethanolamide	0.8445	1.24	0.755	0.763	0.965	1.2355	1.0339	0.7811	1.1407	0.8882	1.1173	1.3259	1.9163	0.8732	1.0509	0.798	0.7881	1.1201	1.3273	0.9661	0.9082	1.0768	0.8717	0.7694	0.7847	1.384	1.2421	1.105	1.2144	0.8513	1.3756	1.4	1.136	0.807	0.7916	0.9452	1.5857	1.0761	1.2482	1.3593	0.8432	0.9796	1	0.6104	0.865
palmitoyl sphingomyelin	1.0278	0.9898	0.5263	0.7711	0.8138	1.4293	1.0102	0.6327	0.9606	0.7926	1.0249	1.0541	1.6096	1.1101	1.1188	0.8645	1.1926	1.1136	1.0784	1.466	0.9834	0.9538	1.035	0.7486	0.6913	0.941	0.9251	1.0609	1.1882	0.5829	2.0852	0.9665	0.9734	1.3109	0.8053	1.4629	0.9583	0.5925	1.7331	1.3573	0.666	1.0236	0.3505	1.2186	1
palmitoylcarnitine	0.9438	1.4993	0.7176	1.282	0.8414	0.8092	1.1413	0.736	1.3544	1.8277	0.6501	1.7679	1.2541	1.5001	1.2443	0.7484	1.0867	1.0465	0.8967	0.9235	0.8574	0.6943	1.1099	0.7686	1.0492	0.9287	3.3024	0.9535	0.6907	0.7152	0.6256	1.7911	1	1.0829	1.7771	0.8377	2.1793	1.3358	1.0813	0.8002	2.3523	0.8756	1.4698	0.7009	0.8118
p-aminobenzoate (PABA)	0.7234	1.1277	1.0601	0.8988	1.4271	1.0344	1.4214	1.2167	1	1.2273	0.4922	1.2362	0.7747	0.6855	5.00E-02	0.9702	0.9111	0.8784	1.0025	1.2698	0.8571	1.0854	0.812	1.2158	1.0149	2.00E-02	0.7035	0.669	2.00E-02	1.4615	0.3973	1.0709	3.00E-02	0.7724	0.0013	1	0.9999	1.2013	0.8314	0.7714	1.6813	1.0068	1.0214	1.3167	1.3535
pantothenate	0.9668	0.9824	1.1399	0.7888	1.0012	0.9713	1.1653	0.9061	1.0015	1.1283	0.684	0.9988	0.9264	1.0142	0.1285	1.0301	0.8888	1.0899	0.8433	0.838	1.1062	0.9761	1.0113	1.199	1.1154	0.0637	1.0503	1.1786	0.0702	1.1738	0.5618	1.0757	0.0822	0.9774	0.0719	0.8885	1	1.0861	0.7889	0.9573	1.1517	1.0929	1.168	1.1838	1.0788
paraxanthine	8.8759	0.9198	4.7904	0.9335	3.3717	4.2068	6.4273	0.4994	2.083	0.6258	9.7963	1.588	0.0304	1.3672	2.7497	0.1732	0.7935	0.9952	0.4067	0.64	0.5806	0.0304	0.4839	0.6653	0.14	2.4834	19.0324	1.0048	0.297	0.0304	0.0304	0.0446	5.5446	0.0304	3.8346	1.3164	2.4916	0.0631	5.5053	0.0874	0.0304	7.3195	0.6836	0.1404	2.572
p-cresol sulfate	1.5039	1.1721	0.5148	0.9845	0.5664	0.3382	0.3103	1.5606	1.7249	2.5481	2.4648	0.7983	1.3278	2.2705	2.9371	0.9832	1.0939	0.8093	0.5142	1.5451	2.2575	0.4903	0.9702	0.6416	0.9638	1.5636	0.7779	1.0155	0.5991	0.0034	1.9981	1	1.8884	1.1629	1.0601	0.7161	1.3838	0.5967	0.9973	3.1218	2.4866	0.615	0.6893	0.8078	2.1281
penicillin G	0.8446	0.9723	0.458	0.9095	1.1699	1.0277	1.1982	1.0356	0.3236	1.0562	0.2898	0.9633	0.2946	0.3465	0.2898	1.4933	0.3558	1.2127	1.1014	1.034	1.2436	1.0328	0.9482	1.0438	1.0398	0.2898	0.8276	0.4183	0.2898	1.1221	0.6168	1.008	0.2898	0.8125	0.2898	0.8434	0.9803	0.992	0.8683	0.9341	1.1308	1.0889	1.1471	1.1977	1.4337
pentadecanoate (15:0)	0.985	1.0185	0.924	0.8984	0.9595	0.8583	1.5398	1.043	0.928	1.872	0.8954	2.054	3.2567	1.2929	0.9606	0.8004	0.8263	1.1049	0.9324	1.5438	1.1334	1.3759	1.1	0.7933	0.7089	1.015	0.9267	1.0163	1.4279	1.0261	1	1.4346	0.8503	1.468	0.9141	1.0443	1.1033	0.797	1.2875	0.9702	1.0612	0.8234	0.8804	0.8009	0.9042
phenol red	1.0045	0.9599	1.0848	0.7745	1.0986	0.8777	0.998	1.0514	0.9371	1.0975	0.7409	1.0335	0.7416	0.8355	0.5471	1.1265	0.9233	1.0037	1.002	1.0447	1.0343	0.9911	0.979	1.0805	1.042	0.5471	0.9142	0.8163	0.5471	1.2834	0.5471	1.0382	0.5471	0.8275	0.5471	0.7783	1.0008	0.9992	0.6506	0.7822	1.1429	1.0819	0.9793	1.1693	1.1807
phenol sulfate	1.4109	0.6549	1.0049	0.9734	0.204	1.1053	0.5866	0.7805	0.9951	1.7264	2.8474	0.8967	1.2401	1.6096	1.5994	0.6561	1.066	0.8491	0.6894	1.0703	1.2233	0.4597	0.6791	1.1225	0.7036	0.7148	1.5702	1.2111	0.8407	0.1626	0.4943	0.9196	2.3059	3.0902	1.8317	2.4824	0.9548	1.144	0.7503	0.7364	0.7515	1.8525	1.2708	1.1997	1
phenylacetylglutamine	1.0165	0.9208	0.4296	0.8544	0.4591	0.5426	0.3603	0.921	1.2426	3.2905	2.7491	0.4879	1.7836	3.3847	4.5272	1.0554	1.2257	0.8718	0.4338	1.0647	2.0986	0.6203	1.1727	0.8488	1.7283	2.1064	0.9835	0.4155	0.3267	0.022	2.3452	1.1793	1.5942	0.8601	1.5486	1.1112	0.5944	0.5372	0.3524	2.5312	1.8776	1	0.2708	0.9439	2.1124
phenylacetylglycine	0.9371	0.939	2.7099	0.8182	1.0725	1.0002	1.0458	0.9179	2.5034	0.8902	1.8777	0.8763	1.7918	1.9159	0.0879	1.08	2.0242	1.0703	0.962	1.0433	0.9676	0.9638	0.7984	0.9998	0.8571	0.0879	0.7083	2.1108	0.0879	1.4797	0.4601	1.033	0.0879	0.8159	0.0879	0.967	1.0677	0.9413	0.8922	0.8537	1.3233	0.0879	1.1799	1.2037	1.2303
phenylalanine	1.0562	1.1514	0.9168	0.9684	1.1876	0.9435	1.0487	1.0268	1.1081	1.0059	0.9822	1.0915	1.1335	0.9774	0.7572	1.0234	1.1775	1.0089	0.9102	1.0369	0.8692	0.9768	0.9255	0.9941	1.0102	0.7065	0.993	0.9027	0.4908	1.1602	0.7781	1.1107	0.508	0.9244	0.5339	0.8554	0.9776	1.1794	1.1413	0.9567	1.2151	1	1.1695	1.0909	1.1008
phenylalanylarginine	0.1253	0.95	0.4972	0.5087	1.2314	0.1253	8.3451	0.1253	1.565	8.8385	0.1253	22.6156	14.6223	0.1253	0.1253	0.1253	0.1253	0.1253	0.1253	2.4518	1	0.1253	0.1253	0.4383	0.1451	0.282	0.1253	0.1253	1.4285	0.1253	0.1253	0.3345	2.3551	0.1253	4.709	1.6216	0.2165	0.5096	3.0281	3.8802	0.1646	0.4515	0.5715	4.7467	0.3326
phenylalanylleucine	1.3487	0.4948	2.1907	0.5699	0.7418	0.9466	0.4948	0.5652	0.559	1.2493	1.0534	1.5205	0.8271	1.8903	0.4948	0.7925	1.5771	0.4948	0.4948	0.4948	0.4948	0.4948	1.5603	0.4948	0.4948	0.6734	1.3829	0.4948	0.4948	0.4948	1.1464	0.4948	0.8536	1.6277	0.4948	0.672	0.4948	0.4948	2.2953	1.3625	0.4948	0.4948	0.8103	0.6493	0.4948
phenylalanylphenylalanine	1.0206	0.1954	1.2438	0.8619	0.9381	5.1456	0.1954	4.3608	0.5721	8.4821	0.4823	17.6803	1.1269	1.1867	0.7195	0.3004	1.0268	0.9794	1.0707	0.5741	0.7216	0.3943	0.5618	0.4493	0.5382	1.0228	1.0236	1.0309	0.8179	0.1954	3.2625	0.9433	1.0434	1.0413	0.1954	2.1999	0.4618	0.1954	2.3681	1.2148	0.7103	0.1954	0.9881	0.4586	1.0119
phenylalanyltryptophan	1.7253	0.712	0.5624	0.7271	0.8518	1.8754	0.8497	0.4953	1.3107	0.6844	1.0253	1.541	3.2535	1.7954	0.9203	0.8465	0.7071	0.7246	0.9747	2.1316	1.2415	1.3648	1.0271	1.1193	1.176	0.8845	1.1495	0.9294	0.7223	0.084	1.2422	0.9176	1.4197	1.2822	1.132	1.0128	0.687	0.6506	2.408	0.7375	0.7158	1.2586	1.0209	1	0.763
phenylcarnitine*	0.2153	0.2153	4.2407	0.5995	0.2153	0.2153	0.6804	0.3954	0.2153	0.2153	3.457	0.2153	1.3196	0.2153	2.0067	0.672	0.2153	0.2153	2.5056	0.2153	0.6416	0.2153	0.2153	0.2153	0.2153	0.2153	0.2153	0.2153	0.2153	0.2153	0.2153	0.2203	1	2.5789	0.6445	0.2153	0.2153	0.2153	0.2153	1.9391	3.0184	0.2153	0.2153	0.2153	0.2153
phenyllactate (PLA)	1.3922	1.2831	0.7087	1.0618	1.0171	2.4483	1.3027	0.7402	1.2335	0.4449	0.7945	0.5495	0.9907	2.2999	2.3961	0.7715	1.101	1.0093	0.6488	0.5765	0.6065	0.8467	1.0281	0.5952	0.8858	1.8449	0.9896	2.7839	1.2398	1.5177	1.0207	0.735	1.3315	0.8692	1.0859	0.931	1	0.8178	3.6748	1.0238	0.3719	0.9528	2.1597	0.6151	0.5028
phenylpyruvate	0.8956	0.7108	0.6729	1.0521	0.7055	0.7185	0.7381	0.6916	1.2631	0.7088	1.1739	1.0022	1.0005	1.2166	1.3788	1.081	1.3427	0.9716	0.8316	0.681	0.9789	0.6145	1.4736	1.0769	1.3212	1.5731	0.9995	1.5183	1.2901	0.2993	1.4423	0.7239	1.2607	0.7731	0.8587	1.2006	0.8576	1.0133	1.7109	1.936	0.729	0.9319	0.8357	1.4233	1
phosphate	0.9779	1.0003	1.1431	0.9345	1.2148	0.9997	1.2078	1.1384	0.9972	1.1162	0.7925	0.9974	0.7403	0.7726	1.304	1.3094	0.8966	1.1069	1.0288	1.0765	1.0251	0.9888	0.9834	1.0697	0.9312	1.2248	0.9001	0.8965	1.6603	1.3754	0.3403	1	1.0501	0.7059	1.8372	0.7786	0.8483	1.0012	0.6222	0.6551	1.3232	0.7829	0.9368	1.216	1.0751
pipecolate	1.7844	1.6466	0.4161	0.8595	0.5533	8.236	4.4153	0.0952	4.0244	1.9263	4.7358	0.0911	0.2457	2.4325	0.5955	0.7454	1.3731	1.1912	0.5209	0.9136	0.2928	0.3461	1.0864	0.1638	0.2491	7.5464	1.4719	2.8641	3.1727	0.0424	0.576	1.2342	1.3201	0.8856	0.6426	1.3251	2.1799	1.3801	4.8306	1	0.3219	0.5635	4.4029	0.1223	0.9514
piperine	0.2707	0.2707	0.2707	0.2707	1	0.2707	0.2707	0.2707	1.2444	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.5716	0.2707	1.4284	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707	0.2707
pregn steroid monosulfate*	2.0062	1.0017	0.6094	2.2131	0.7524	1.5281	1.4873	0.6609	1.3448	0.8169	0.647	0.2666	0.1821	0.4569	1.4517	0.9117	0.9943	0.7946	0.9609	2.9154	3.6137	0.739	1.6152	2.4286	3.1826	4.2968	0.9983	2.0091	2.1356	0.379	1.1315	0.8486	2.0363	0.4383	1.234	0.8071	1.6459	1.5955	1	0.6578	1.5897	0.9808	0.5479	1.5719	0.6775
pregnanediol-3-glucuronide	1.9329	0.9681	0.1552	1.1714	0.213	0.1552	0.3762	0.1552	0.1552	1.0093	0.9907	0.3131	0.5198	0.8764	2.6761	0.7832	2.2289	6.7335	0.2944	1.4335	2.9812	0.5942	11.6655	1.0849	27.8547	1.4542	0.1552	0.2512	14.6525	0.1552	1.8477	1	3.4694	0.476	0.6393	0.1552	1.0355	1.0531	0.8959	0.3305	5.6879	0.4615	0.4226	1.9076	0.7672
pregnen-diol disulfate*	1.9034	1.4181	0.6532	0.9651	1.2327	2.8936	2.9198	0.3212	0.6886	0.4975	0.5	0.2276	0.2368	0.2371	0.5978	0.451	1.1772	0.9713	0.7612	1.8104	1.7147	0.7507	1.0287	2.0133	3.972	6.4563	1.0847	4.2393	1.7277	0.192	0.9302	0.2986	0.8793	0.779	1	1.2821	1.1839	1.9563	1.1269	0.5019	1.7582	0.4538	0.7256	1.1764	1.5883
pregnenolone sulfate	2.5049	0.5051	0.7652	2.4558	0.5996	0.9694	1.6857	0.0981	0.5918	0.4064	0.7441	0.0981	0.0981	0.0981	0.7909	1.4669	1.3997	0.8699	0.6025	4.0975	3.1049	0.2166	2.378	2.1023	5.7456	3.8116	1	1.2311	1.7209	0.3377	1.5276	0.6504	4.3919	0.3672	1.6003	0.555	1.4996	1.155	0.5037	0.2805	1.6368	0.1926	1.415	1	0.5005
pro-hydroxy-pro	0.4421	2.7788	4.8048	3.3235	4.3066	1.1137	0.4421	0.545	0.6314	0.6524	0.5722	0.7213	1	1.001	1.0795	4.4218	2.3334	0.792	0.7801	0.7081	0.7487	0.9982	1.3705	0.8551	0.9704	2.9008	1.516	2.9033	0.8956	1.6468	3.9654	0.4421	0.9453	1.0807	1.2777	0.9176	0.9669	1.2546	2.3227	1.3838	0.9267	0.5376	1.0014	0.9986	0.4649
proline	1.3829	1.1213	1.003	0.8066	1.0972	1.1312	1.0126	0.9087	1.0969	0.9219	1.0006	0.9295	0.9956	0.9523	0.536	1.0474	1.2163	0.9093	0.9258	1.0649	0.9457	0.9511	0.9994	1.0858	0.9482	0.8402	1.0657	1.0918	0.413	0.9883	0.9528	1.0713	0.6452	1.0153	0.628	0.9532	1.0533	1.4479	1.0996	0.8687	1.081	0.9107	1.0433	1.051	1
propionylcarnitine	0.3168	2.0559	1.1261	0.6015	0.8314	0.5066	0.4237	0.6499	1.8609	0.9008	1.633	1.1332	2.1426	1.5307	1.7452	0.9644	1.2325	0.6068	0.3642	1.5525	1.6308	0.7229	1.2456	0.5576	1.0356	0.898	1.3662	0.9104	0.8606	0.2211	1.1943	1.7784	1.6452	0.9358	1.9201	0.535	0.9061	1.0725	1.1564	1.2753	1.1378	0.6306	0.5019	1	0.7919
pseudouridine	0.8781	0.9037	0.8614	1.2945	0.5768	0.9556	0.3043	0.9514	1.3805	1.1134	1.3975	1.1159	1.7475	1.6896	2.8774	0.5703	0.9853	1.0147	1.077	0.8933	0.4094	0.806	1.025	0.6546	0.9487	2.0601	1.6023	1.1605	0.789	0.5198	1.0713	0.9456	1.8432	1.0306	1.7426	1.1309	0.9844	1	1.2652	1.2042	0.7978	0.6692	1.1236	0.5073	0.9686
pyridoxate	0.6253	1.1877	1.1724	0.9459	0.3883	0.6628	0.3499	0.6265	73.3696	1.3149	34.1971	0.6986	6.2057	1.535	74.5746	0.697	0.656	0.9311	4.4359	1.4228	1.0541	1.3641	0.8788	0.8326	1.4431	0.6176	0.681	1.3222	0.9377	0.454	2.2976	0.9767	1.3911	1.435	1.5271	0.5927	0.5759	0.4879	0.8441	1.9612	1.3806	2.2695	0.669	1.266	1
pyridoxine (Vitamin B6)	0.8965	1	1.4426	0.9087	1.1601	0.9137	1.1483	1.09	0.9218	1.1566	0.5489	1.0201	0.6709	0.7795	0.0157	1.1096	0.8556	1.2955	0.9631	0.8962	1.1386	1.0918	1.1935	1.1279	0.9626	0.0157	1.0359	0.8908	0.0157	1.6701	0.5375	0.9549	0.0157	0.7986	0.0157	0.9196	1.0971	1.3045	0.8506	0.8283	1.4267	0.9833	1.1985	1.0167	1.2569
pyroglutamine*	2.3084	1.2737	0.839	1.467	0.6489	1.3292	1.3766	1.1056	1.2798	0.988	1.0969	0.5376	0.6738	1.519	1.3449	0.459	0.4066	0.9767	0.6394	0.5787	1.012	0.3302	0.4724	0.3642	0.344	1.3444	2.9905	1.5415	0.3288	0.1143	0.5827	1.0624	0.8228	1.5483	1.2032	2.213	1.0384	1.1225	1.4884	0.7061	1.0494	1	0.7647	0.2734	0.9394
pyroglutamylglutamine	2.3197	0.5793	0.507	1.1701	1.8864	2.1981	0.4644	0.3417	0.9294	0.5545	0.6953	0.9151	1.6526	1.4229	0.9695	0.9057	1.1499	0.7861	1.3258	0.8455	1.2845	1.048	1.6655	1.0134	1.0153	1.3502	0.9866	0.664	1.1754	0.4322	1.7792	1	0.7148	1.0687	1.3262	1.2266	0.6653	0.9462	2.7709	1.8043	0.5138	0.664	1.1528	0.5505	0.7658
pyruvate	1.0323	0.8455	0.5804	1.4199	0.9327	1.0547	0.9677	0.4977	0.8915	0.7072	0.6192	0.8267	0.8452	1.5889	1.4129	0.5563	1.5139	0.579	1.2083	1.3781	0.9643	0.4258	1.3061	1.0378	1.216	1.33	1.1457	1.8646	1.5254	0.7335	1.4078	0.7748	1.0028	1.0878	0.5569	1.3683	1.3121	0.7892	0.8544	1.4725	0.6176	1.4988	0.5445	0.9749	1
quinate	0.374	0.374	0.374	0.3816	0.374	0.374	0.6954	0.374	0.5613	0.374	1	0.374	0.374	0.374	0.3788	0.7112	0.374	0.374	2.4008	0.374	0.374	0.374	0.374	0.374	1.7277	1.1363	1.2171	4.1965	0.374	0.374	0.374	0.374	1.4508	0.9591	0.374	0.374	0.374	0.374	0.374	0.374	2.2164	0.374	0.374	1	0.374
quinine	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	1.9848	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	1.4324	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	0.0152	0.0474	0.5676	0.0152	0.0152	0.0152	1.5746	0.0152
riboflavin (Vitamin B2)	1.026	0.8953	0.8272	0.7736	1.25	1.0165	1.0423	1.1936	1.0872	1.1092	0.767	1.1152	0.865	0.8756	0.0089	1.0802	0.9482	1.0218	1	1.1324	1.1198	0.9711	0.9797	0.8143	1.0248	0.0155	0.9661	0.8242	0.0089	1.4065	0.5561	0.8173	0.0089	0.3625	0.0089	0.5831	1.2165	1.2481	0.9217	0.4898	1.6426	1	1.0328	1.234	1.0745
ribose	0.8567	0.9083	0.6781	1.1115	1.2931	1.0479	0.8725	1.0138	1.037	1.0113	0.8295	0.9534	0.7147	0.8502	0.4926	1.77	1.2682	0.9675	1.6219	0.9338	1.2912	1.0898	1.0086	1.0938	0.9914	0.9629	1.4141	0.4393	0.3273	2.3966	1.9656	1.0189	0.9437	1.5365	0.5088	0.9811	0.9808	1.3948	1.7759	0.3273	1.8278	0.4336	0.9006	0.8219	1.5576
ribulose	1.0139	1.7972	0.7529	1.1421	1.036	0.9588	1.3518	0.7868	0.9595	2.1142	0.781	0.9542	0.8374	0.8649	0.2193	1.503	0.7318	0.9861	1.0301	1.9743	1.1968	0.9652	0.4923	1.5884	2.2476	0.2193	2.312	0.946	0.2193	0.7679	0.2193	1	0.2193	1.71	0.2193	0.9242	0.2193	0.7059	1.5879	0.2193	0.2193	0.5642	1.4678	1.3035	4.1813
saccharin	1.2854	0.0442	2.3582	0.0442	2.2215	0.0442	0.0442	0.0442	0.0442	3.0335	1.0777	0.0442	1.0156	0.1148	0.6574	0.0442	0.0442	0.1686	0.0442	0.0442	0.31	0.374	1.0719	0.0442	0.9844	0.0442	0.0442	0.0442	1.0881	0.0442	0.0442	0.0442	1	0.0442	0.1124	0.4303	0.0442	7.8553	0.0442	0.2316	0.0442	3.7246	0.0442	0.0442	0.0442
S-adenosylhomocysteine (SAH)	0.6804	1.2346	0.2128	1.0832	0.8155	0.2128	0.2128	0.2128	0.9168	1.0968	0.385	1.6964	1.9485	0.7843	1.2275	0.2128	1.4217	0.2128	0.2128	0.2128	0.2128	0.2128	1.1368	0.5576	0.8903	1.8637	0.7058	0.2128	0.7928	0.2128	0.2128	1.5306	1.3966	1.2294	1.5055	0.9027	0.523	1.4627	1.0973	1.788	0.8263	0.2128	0.7251	0.2711	0.3603
salicylate	3.9157	1.1479	1.4218	0.1771	0.2609	3.6048	0.1845	0.8525	2.7012	1.2083	0.9058	0.5581	3.0386	9.6097	1.171	1.3606	0.0913	2.5789	0.6566	1.9094	0.6455	0.832	0.4376	0.1627	1.0942	0.5825	0.5462	3.2442	2.1651	0.5493	0.1602	0.5248	9.1055	1.6028	0.9621	0.6845	0.426	5.4383	1.0224	1.4441	4.4073	0.9776	0.1853	0.0913	1.6186
salicyluric glucuronide*	0.1934	0.1934	0.1934	0.1934	0.1934	0.1934	0.1934	0.1934	0.1934	0.1934	0.1934	0.1934	2.3907	0.4231	0.1934	1.2034	0.1934	0.1934	0.1934	0.1934	1	0.1934	0.1934	0.1934	0.1934	0.1934	0.1934	0.1934	0.1934	0.1934	0.1934	0.1934	1.0037	0.5293	0.1934	0.1934	0.1934	0.1934	0.1934	0.1934	1	0.1934	0.1934	0.1934	0.1934
serine	1.1161	1.0014	1.1303	0.8968	1.1305	0.9114	1.077	1.0857	1.0207	1.0088	0.8365	0.9653	0.8342	0.9986	0.1692	0.9683	1.0702	1.0526	0.9826	0.9838	1.1316	1.093	1.019	1.0688	0.9704	0.2898	0.982	0.9863	0.1573	1.2223	0.795	1.0773	0.2343	0.9395	0.1662	1	0.9862	1.1056	0.925	0.9407	1.1413	1.0189	1.0876	1.1387	1.0875
S-methylcysteine	1.9735	1.0242	0.3604	0.7402	0.5541	1.8034	1.6405	0.3328	4.4535	1.9598	3.6466	0.1745	0.399	1.9757	1.2056	0.8086	0.9959	1.9392	0.7289	1.0011	0.3594	0.2065	0.9989	0.366	0.1694	4.4926	1.9154	1.233	2.7714	0.0919	0.5172	1.0134	1.0615	0.9747	0.8064	0.7651	1.5567	1.4507	2.7051	1.61	0.6851	1	2.9612	0.1609	0.4774
sorbitol	0.9625	0.6414	0.6575	1.0299	0.79	21.7691	49.159	1.7349	1.5158	1	0.7173	1.4977	1.1164	1	0.8158	0.4721	1.4865	0.815	1.3266	0.8433	0.5914	1.5383	0.9718	0.862	0.9901	1.0427	1.2046	2.1811	0.4721	0.4721	1	0.4721	0.4803	0.4721	0.7055	6.2212	0.4721	0.4721	1.2578	0.4721	0.4721	1.173	0.4721	0.7053	0.4721
sphinganine	0.5064	1.3767	0.6837	1.8696	0.6064	0.5	0.2322	0.3789	0.9712	2.2228	0.2322	1.5946	0.8789	1.3529	1.0288	1.2829	1.9701	1.2391	1.2906	0.5849	0.5521	0.2322	1.4036	0.7518	0.8601	1.0355	1.5729	0.7755	1.6506	2.7303	0.6575	0.9098	1.7472	1.0875	0.2322	1.3466	1.5938	0.9125	0.7062	0.4925	1.3326	0.4071	0.8329	0.6186	2.2005
sphingosine	1.3563	2.3873	0.5672	1.4565	1.279	0.5933	0.1229	0.2192	1.4397	1.8186	0.4927	1.0199	0.7408	0.9801	0.9584	1.3803	2.1655	1.0875	1.8345	0.7377	0.7259	0.7094	1.4595	0.8376	0.555	1.337	2.0789	0.92	1.2833	1.1879	0.909	2.0512	0.9163	0.5968	1.7207	0.5406	1.2077	0.7233	0.3344	1.0235	2.0846	0.7557	1	0.6516	1.5261
sphingosine 1-phosphate	1.0023	1.4153	0.9151	1.1629	0.919	0.8612	0.5013	0.4967	1.0775	1.6165	0.7944	1.0969	0.5537	1.0637	0.8493	0.9564	1.2404	1.1648	0.6713	0.6688	0.658	0.6169	1.0692	1.0006	1.0773	1.165	2.2159	0.9994	0.9623	0.1987	0.4943	2.7086	1.5407	2.0228	1.2759	0.9375	1.4924	0.8606	0.7459	1	1.4017	1.3988	2.5921	0.6535	0.9574
stachydrine	1.0524	2.3599	4.3637	0.2676	0.3983	0.8006	0.8351	1.2985	2.9673	0.6616	0.3388	0.6555	4.7408	3.4259	9.8785	0.245	0.6164	0.3111	2.0773	0.1609	4.9765	0.6824	1.6238	3.2666	0.384	0.9476	6.9858	2.4639	0.5681	0.1609	0.955	1.2191	9.1868	0.444	3.7751	0.9158	0.277	3.3531	3.3081	2.447	1.021	0.5987	0.5895	0.979	1.4578
stearate (18:0)	1.1306	1.1116	0.6418	0.8877	1.0102	1.11	4.0199	0.8461	1.1601	1.4168	0.8776	1.9609	2.7941	0.8629	0.7753	0.7592	0.9082	0.9647	0.8627	1.3179	1.0177	1.2548	1.0648	0.7777	0.8201	1.0452	0.7588	0.9898	1.4601	1.1181	0.9703	1.2521	0.7986	1.1575	0.861	0.7926	1.2944	0.9461	1.168	0.8481	1.0133	0.6976	1.1063	0.7139	1
stearidonate (18:4n3)	0.2169	0.1261	0.1893	0.1519	0.579	2.6206	1.5067	1.1875	0.7643	3.1169	1.151	2.0339	2.0817	0.4196	0.3882	1.5863	0.3785	1.2845	1.177	2.8941	1.7215	1.4282	0.3655	0.2834	0.878	0.4779	1.122	0.5536	1.8152	0.3171	0.383	3.9247	0.3284	3.6584	0.9328	1.0274	1.1396	0.4228	3.8558	0.8886	0.6517	0.332	3.5298	2.6548	1
stearoyl sphingomyelin	1.123	0.8177	1.5307	0.9832	1.008	1.6545	0.48	0.8421	0.281	1.2632	1.3714	1.2565	1.4682	0.9389	1.1599	0.9013	1.2473	1.1471	0.9789	1.427	0.992	0.7883	0.3477	1.0949	1.5692	0.3268	0.8259	0.4469	0.7257	2.0483	2.0368	0.7793	0.8862	0.9412	0.2689	1.3906	0.9671	0.2689	1.181	2.4796	0.549	1	0.2689	2.9625	1.7153
stearoylcarnitine	0.9117	0.7782	0.5671	1.2194	0.6722	0.9297	1.9511	0.9254	2.1511	1.6955	0.8593	2.0105	1.2335	1.634	1.254	1.0566	0.9875	0.7171	0.9078	1.0125	0.8983	1.0731	0.8193	1.6435	0.9244	0.6814	2.2733	1.0899	0.6627	0.7353	0.4382	2.1725	0.9401	1.0868	1.1712	1.112	2.0373	0.9164	1	0.6382	2.1808	0.9766	1.1053	1.0518	0.6606
streptomycin	0.816	0.907	1.2717	0.8594	1.4829	1.1737	1.5103	1.5814	0.9876	1.3303	0.6395	0.8703	0.3777	0.5179	0.2901	1.3746	0.5537	1.3884	1.1672	1.0506	0.9639	1.0124	0.9042	1.4373	1.1273	0.2901	0.879	0.912	0.2901	2.5829	0.2901	1.0692	0.2901	0.569	0.2901	0.6563	0.9308	1.2216	0.6735	0.5722	1.625	0.8199	1.3622	1.5509	1.7097
succinate	1.1514	1.064	0.8818	0.9144	0.815	1.197	0.9702	0.7914	1.127	0.9137	1.0541	0.817	0.9204	1.0992	1.1031	1.0206	0.9058	0.8643	0.9807	1.0193	1.1909	0.7843	1.0297	0.8803	0.9087	1.2546	1.0299	1.1492	1.0481	0.731	1.2654	1.1885	1.1255	0.8269	0.8714	1.0357	0.8932	1.2056	1.227	1.2513	0.8811	0.5417	0.8816	0.8933	1
succinylcarnitine	0.5122	2.5921	0.9883	0.0673	0.9987	0.0673	0.5983	0.2834	1.8487	0.5168	1.1072	2.1618	6.2334	1.6243	3.0916	0.0673	0.0673	0.7656	0.0673	0.2681	2.9207	0.0673	1	0.5487	2.4598	2.0572	4.5268	0.6635	0.5231	0.0673	0.1062	0.0673	3.1689	1.4101	1.6142	1.2357	0.8908	0.976	0.9263	1.024	1.1735	1.8112	0.0673	0.1344	0.5075
sucrose	1.4675	0.9257	0.4824	0.3521	1.3903	2.4083	1.5536	1.9386	1.9783	0.4618	4.0795	0.1928	0.7837	0.2005	1	0.9223	0.865	0.7874	1.5016	1.4787	0.1903	1.0357	1.1826	0.9733	1.0881	2.18	0.656	0.1903	0.4929	0.5763	3.0536	1	3.2864	1.0344	0.785	3.6161	0.4307	1.6933	0.3024	0.4187	0.3167	3.8292	0.371	1.1456	1.1425
sulfate*	0.9512	0.9701	1.0724	0.9454	1.0603	0.9382	1.0078	0.9671	1.0303	1.1	0.9194	1.0639	1.1859	0.9828	0.323	1.0075	0.9508	1.0566	0.9626	1.0398	1.1429	0.932	1.125	1.0792	1.0565	0.2642	0.9925	0.8992	0.2054	1.1097	0.8402	1.0004	0.3442	0.9827	0.2235	1	0.9586	1.129	0.9779	0.9644	1.2483	1.0282	1.1339	1.1399	1.1805
tartarate	0.6795	5.8166	0.1977	0.1977	0.1977	1	0.1977	0.6311	0.1977	4.3518	0.8822	1.1891	0.8645	0.1977	0.907	0.6878	0.1977	0.1977	0.4091	2.624	0.1977	0.1977	0.1977	0.1977	7.9321	0.1977	1.5631	1.0765	0.1977	0.1977	2.8135	0.473	0.1977	1.0231	0.1977	0.1977	0.1977	0.1977	0.9769	0.1977	0.1977	0.1977	0.4413	1.3217	3.319
tartronate (hydroxymalonate)	0.9232	1.3884	0.0937	1.131	0.4469	1.1625	0.8478	1.0299	1	1.7722	1.2928	0.9025	1.2155	1.057	0.212	0.8319	0.7768	0.9128	1.2483	0.9427	0.8107	0.8446	1.4149	0.8352	2.7056	0.0937	1.9206	1.0009	0.418	0.4464	1.7455	1.1675	0.5061	2.355	0.3545	1.0759	0.3727	0.8303	1.6762	1.6039	0.0937	1.5979	0.9241	0.6057	1.1574
taurine	1.3453	0.4569	0.774	1.3649	0.6756	0.6586	0.4638	0.4651	0.7264	0.7762	1.3546	1.0015	1.5187	1.2159	1.2764	0.9985	2.2291	0.8068	1.4939	1.3097	1.2846	0.7626	1.1832	0.7186	0.8872	1.2568	1.6278	0.888	1.474	0.7377	2.9169	1.1017	1.9909	1.3706	0.9312	0.3954	1	0.7407	1.6614	1.0297	0.7398	1.2425	0.6955	0.3046	0.7107
tauro-beta-muricholate	0.1613	3.0403	0.1613	0.1613	0.1613	0.1613	0.1613	0.1613	0.1613	0.1613	0.1613	0.1613	1.7368	0.1613	0.1613	0.7505	1	0.1613	0.1613	0.1613	0.1613	0.1613	0.4847	0.1613	2.4468	0.1613	0.1613	0.1613	0.1613	0.1613	1	0.1613	0.1613	0.1613	0.1613	0.1613	0.1613	0.1613	0.1613	0.1613	0.1613	0.1613	0.1613	0.1613	0.1613
taurochenodeoxycholate	1.4825	4.6378	0.0406	0.4987	0.5753	0.8232	0.9058	0.0406	0.7442	0.0406	0.1827	1.581	6.4611	0.1734	0.7516	0.0406	10.0616	0.4123	2.1804	0.0406	0.0406	0.2282	2.8446	0.6383	2.2831	1.7212	1.0942	2.6051	1.1611	46.9037	5.2095	0.3274	6.1127	1.3965	3.5496	0.7421	0.0406	1.3886	0.2486	0.2267	0.1259	0.275	0.7449	3.8976	1
taurocholate	0.2052	6.6847	0.2052	0.2052	0.2052	0.6343	0.3285	0.2052	0.2915	0.2052	0.2052	0.9145	3.959	0.2052	0.2052	0.2052	5.6069	0.2052	1.1522	0.2052	0.2052	0.2052	0.4937	0.8338	4.1765	1.0855	0.8004	1.7163	0.7249	113.8554	3.3998	0.2052	2.4765	1.1383	10.4276	1	0.2052	0.2646	0.4793	0.2052	0.2052	0.2052	0.4016	3.9411	0.4479
taurocholenate sulfate	0.5481	0.4851	0.4426	2.805	0.5149	0.8534	1.51	0.8712	1.038	0.6313	1.1189	2.067	2.453	1.9413	1.9695	0.4163	1.031	0.8508	1.3243	0.4064	0.7854	2.6504	2.7293	1.1711	2.7231	0.5708	0.969	0.7306	1	3.8837	2.0756	2.5583	3.1437	1.578	0.3754	2.541	0.5464	0.4182	1.7155	1.1733	0.4171	0.5481	0.3912	0.9927	0.651
taurodeoxycholate	0.0992	3.9067	0.0992	1.1726	0.0992	0.1977	0.4279	0.0992	0.0992	0.0992	0.6195	1.4528	11.0443	0.0992	0.8122	0.0992	1.9736	0.0992	0.0992	0.2356	0.0992	0.0992	0.8981	2.3287	9.9912	0.5098	0.0992	1.1019	0.2809	0.0992	9.8526	0.0992	2.6938	1.402	9.4275	0.0992	0.0992	0.4723	0.0992	0.4214	0.0992	0.0992	0.3945	1.9168	0.598
taurolithocholate 3-sulfate	0.7239	2.7518	0.6306	1.1996	0.385	0.7405	2.7318	0.2438	0.3162	1.038	1.1517	6.5786	6.9379	0.5633	4.0349	0.9199	1.0597	0.248	0.5816	0.3453	0.962	1.5864	2.9292	1.2566	4.6882	0.4533	0.7829	1.0802	0.3719	0.0062	4.7639	1.989	3.7193	2.6681	1.1221	0.0186	0.0062	0.4354	0.8779	1.9457	0.8438	0.2606	0.0526	2.0177	1.3019
tetradecanedioate	0.8461	1.3876	2.0426	0.8601	1.0697	0.7298	2.029	0.7438	0.7826	1.4843	0.897	0.8858	1.0155	1.1099	0.8496	0.6635	1.222	0.9845	0.7884	0.7824	0.7674	1.1524	1.5868	1.3498	1.041	0.8452	1.178	1.2697	0.8898	1.5267	0.8802	0.8486	1.3283	2.1238	1.0277	0.6831	1	0.8889	0.7358	1.0375	0.9693	0.8197	1.162	1.7542	1.8491
theanine	0.2591	0.0471	0.837	0.0471	1.163	1.9103	0.1388	0.0471	0.0471	0.0471	4.528	0.0471	0.0471	0.0471	0.0471	0.0471	0.0471	0.0471	0.0471	0.0471	0.0471	0.0471	0.0471	0.0471	0.0471	0.0471	1.7147	0.6829	0.0471	0.0471	0.0471	0.0471	2.9614	0.0471	0.0471	0.0471	0.0471	0.0471	0.0471	0.0471	0.0471	1.373	0.0471	0.0471	0.627
theobromine	3.1425	0.223	2.0768	0.6987	1.3766	2.4459	3.9137	0.638	0.8364	0.7115	3.1844	1.2979	0.223	0.6784	1.8499	1.1324	0.223	0.5751	0.7108	0.223	0.5076	0.223	0.223	0.223	0.223	0.6674	9.6524	0.8676	0.2658	0.223	0.223	0.223	2.1952	0.223	1.5886	0.4009	0.8575	0.223	1.4216	0.223	0.223	2.587	0.2643	0.223	1.1425
theophylline	2.2675	0.1244	1.4239	0.1244	0.9081	1.2563	3.5905	0.1244	0.7303	0.5263	1.7414	0.9966	0.1244	0.5011	1.0034	0.1244	0.1244	0.1244	0.1244	0.1244	0.1244	0.1244	0.1244	0.1244	0.1244	0.4458	6.1143	0.1585	0.1872	0.1244	0.1244	0.1244	1.4972	0.1244	2.4842	0.1852	1	0.1244	1.7219	0.1244	0.1244	3.277	0.1244	0.1244	0.6896
thiamin (Vitamin B1)	0.2313	0.2313	17.4254	0.2313	0.2313	0.2313	0.8117	0.2313	1.1883	0.2313	0.2313	4.0786	0.2313	0.2313	0.2313	0.2313	0.2313	0.2313	0.2313	0.2313	16.1136	0.2313	0.2313	0.2313	0.484	0.2313	0.5742	0.2313	0.2313	0.2313	0.2313	0.477	0.2313	0.2313	0.2313	1.0874	0.2313	0.9126	0.2313	0.2313	5.1168	2.0125	0.2313	0.6522	0.2313
threitol	1.1927	1.039	0.5966	0.6978	0.9287	1.3015	0.5958	0.6126	1.0332	0.9668	1.5868	1.1235	1.5864	1.2665	1.0876	1.3871	0.6978	0.7177	1.3962	1.4279	0.9517	0.8965	0.8031	0.8553	1.1836	0.8276	0.9596	1.6211	0.8798	0.7509	1.9125	1.0595	0.9188	1.2385	1.2563	1.116	0.5647	0.912	0.4898	1.3047	1.5554	0.4898	0.4898	1	0.7035
threonate	0.7972	1.1695	1.4355	1.2138	0.4025	0.9395	0.556	0.6625	1.3203	1.233	1.581	0.4511	0.7341	1.0027	0.6841	0.9973	1.2785	0.8235	0.7449	3.7805	2.0531	1.0426	0.8736	0.8806	1.3789	0.6429	1.2257	1.4908	1.9646	1	1.516	1.6855	2.2397	1.28	0.4488	0.6117	0.6063	0.9878	0.843	1.7686	0.8229	1.6734	0.8449	0.4522	1.4381
threonine	1.0565	0.8794	1.0048	0.8007	1.0101	1.0348	1.031	0.9206	1.0274	0.9302	0.7903	0.9883	1.0144	0.9739	0.267	1.4672	1.1612	1.0081	1.023	0.9347	1.3965	1.0759	0.8789	0.9952	0.8633	0.3662	1.0258	0.971	0.2509	1.085	0.8078	1.0452	0.4846	1	0.3537	0.7848	0.9727	1.1416	1.0057	0.8615	1.2143	0.9616	1.1799	1.0749	1.0971
thymol sulfate	3.5108	1.0467	0.0442	0.0282	0.0282	1.8646	0.1241	11.4514	0.6887	0.0642	6.0579	0.0282	1.4699	1.3108	0.0831	2.2866	0.0282	0.0282	0.1015	1.2815	0.0885	0.0282	0.0282	2.3177	1	0.0282	0.1241	0.307	0.0282	0.0282	0.7283	0.5441	92.3007	1.4029	0.0282	1.2717	0.1731	0.0282	0.725	0.1349	0.1267	1.4614	2.8441	6.3157	0.0282
thyroxine	1.4413	3.4871	0.8443	1.561	1.0461	0.175	0.8837	0.6228	2.096	2.0133	0.3156	3.0083	1.0196	0.4663	0.6006	1	2.3421	0.175	0.2608	1.5372	0.8655	0.5995	0.6959	0.8516	1.5791	2.0367	1.745	0.5196	1.32	0.212	0.5437	1.5646	2.108	1.3793	1.6659	0.4339	1.1278	1.0612	0.814	0.2013	0.9388	1.3477	0.4531	0.175	0.4396
tiglyl carnitine	0.1721	0.8241	1.3495	1.1366	0.1721	2.1348	2.7589	1.0449	1.313	0.7838	1.0823	0.9551	3.8251	3.3395	3.8012	0.1721	0.2168	0.4859	0.7126	0.1721	0.9335	0.5149	1.1805	0.1721	0.3542	0.3881	3.1755	0.2486	0.1721	0.1721	1.2493	0.535	3.5291	0.5072	0.24	2.569	0.1721	0.7311	1.7305	2.2612	0.1721	0.6445	1	1.89	0.6866
trans-4-hydroxyproline	0.9712	0.9944	1.4334	0.8756	1.1632	1.0992	1.1537	0.9595	1.0818	1.0317	0.7987	0.8929	0.7099	0.8092	0.0557	1.0913	1.0056	1.057	0.959	1.0307	1.0515	1.0274	0.8903	1.1842	1.0074	0.1181	0.893	0.9392	0.0625	1.5681	0.7305	1.0603	0.0724	0.9053	0.2832	0.9374	1.0781	1.1076	0.8779	0.8341	1.3096	1	1.0745	1.2301	1.2339
trigonelline (N'-methylnicotinate)	1.7627	1.541	0.9923	0.2699	0.208	0.6273	0.2882	0.1562	5.3185	1.2398	2.4159	0.4595	1.3484	3.5428	1.2095	0.251	0.2317	2.4409	0.5699	1.2156	0.9885	0.7446	0.8742	0.5753	1.0571	2.4371	3.3183	1.0077	4.4223	0.1562	1.8744	0.6537	0.841	1.3621	1.159	0.6967	0.5277	0.4001	2.6068	1.2558	0.2102	2.0541	3.1261	0.2876	0.2493
tryptophan	1.2067	0.833	0.855	1.1048	1.1148	1.1445	1.0032	1.0221	1.1727	0.7179	1.1992	1.2397	1.699	1.3072	0.798	1.0142	1.18	0.88	0.9564	0.8049	0.9177	0.9968	0.9934	0.8637	0.9185	0.5737	1.0655	0.9021	0.7854	0.7614	1.0807	1.113	0.9714	1.0611	0.7867	0.5382	1	1.0718	1.6234	1.1464	0.8969	1.0175	1.1308	0.934	0.7531
tryptophan betaine	5.7231	0.5181	1.4679	2.2002	0.9975	0.9182	0.3863	1.8249	2.9644	0.1299	0.0895	0.4678	0.7209	0.6441	1.0972	1.0519	0.4026	1.4476	1.7571	2.0914	2.0746	1.0025	1.6711	0.8832	1.6513	0.7461	0.4319	0.7135	2.5208	0.1311	2.4373	0.7794	1.148	1.8232	1.3388	0.3685	0.5291	0.3719	2.6373	0.296	1	2.5706	3.682	0.0525	0.7511
tyrosine	1.0494	1.054	0.9023	0.9093	1.1627	1.0804	1.1366	1.0435	1.0124	0.9826	0.8506	1.119	1.1921	0.9111	0.5329	1.0594	1.1186	0.9268	0.9928	1.0415	0.8769	1.0312	0.8084	1.0072	0.9656	0.4907	0.909	0.8608	0.5535	1.2044	0.9349	1.0536	0.5022	0.8977	0.468	0.8944	0.9418	1.1448	1.2108	0.8702	1.1516	1	1.1089	1.1115	1.1716
undecanedioate	0.937	1.2241	0.9508	0.7678	1.031	1.0872	1.6225	0.9124	1.0002	1.2106	0.9497	1.1805	1.3696	0.9998	0.933	0.9568	1.006	0.7852	0.9469	1.1047	0.9989	0.9158	1.196	1.3814	0.9189	0.8434	1.3118	2.4576	1.0446	0.7513	0.8214	1	0.9377	1.0505	1.3724	1.1204	1.0472	1.101	0.7127	1.0741	0.94	0.9334	0.8694	0.9562	1.1302
uracil	3.3101	1.9691	0.1932	1.2514	1	0.4271	0.1932	0.1932	0.1932	0.1932	0.1932	0.5298	2.4431	0.1932	4.1844	0.5951	1.3436	0.1932	0.9343	3.1587	0.1932	0.4675	0.1932	0.8297	0.9456	2.9702	0.6159	0.1932	0.9723	0.2643	1.4611	1.5122	3.2655	0.6962	1	0.5364	0.1932	0.1932	2.778	1.4613	0.1932	0.1932	0.8282	0.1932	1.7447
urate	1.0993	1.053	0.7714	1.1574	0.6319	1.3265	1.0035	0.8082	1.2402	0.8182	1.1934	0.9965	1.5424	1.1739	1.433	0.5652	0.9239	0.7847	1.0043	0.6422	0.5628	0.7083	0.8885	0.6567	0.7356	1.2682	1.336	1.0315	0.808	0.3111	1.2349	0.7532	1.5398	1.1231	1.4903	1.697	0.9807	1	1.8551	1.2154	0.6571	1.0856	0.8016	0.8606	0.9625
urea	0.8274	0.7559	0.7237	1.301	0.878	0.9121	0.7604	1.3207	1.0514	0.9011	1.3704	1.1772	1.9494	1.404	1.8492	0.5998	0.7684	0.8773	0.9368	1.0734	1.138	0.7627	0.9637	0.8663	1.3995	1.1839	1.1989	1.0363	1.0773	0.2585	1.2346	1.0189	1.3001	1.3563	1.6792	1.0979	0.6588	0.979	0.861	1.2578	0.8043	0.7671	0.9775	1	0.6563
uridine	1.002	1.0941	0.5489	0.8637	0.8058	0.7923	0.8603	0.9434	1.3924	0.998	1.1319	1.2406	1.7689	1.2066	0.935	0.9211	0.8909	0.9047	1.0589	0.9119	0.721	1.0699	1.5046	1.0819	1.2098	1.0771	1.2507	0.7347	1.1692	0.5694	1.1101	1.4751	1.0459	1.051	0.8479	1	0.9387	0.7817	1.4133	1.4544	0.7144	1.2926	0.7923	0.5905	0.8738
ursodeoxycholate	26.6139	0.8324	1	1.5143	0.9671	1.5491	1.3393	0.1646	0.4804	0.1463	1.1647	0.4193	0.4412	1.5813	1.8484	1.5639	4.0092	0.1463	0.1463	0.3708	0.5674	0.1463	4.6809	0.1713	0.3696	0.9696	1.1512	2.3315	0.8989	0.1463	1	0.1463	1.9722	2.4093	0.7834	1.8871	0.4282	1.3297	0.4135	0.1463	1.198	0.4973	2.1308	0.1463	0.3178
valerylcarnitine	0.9849	0.5027	0.7741	0.1944	0.1944	0.1944	0.1944	0.9339	4.081	0.5014	4.13	0.5956	3.6648	2.8939	2.7974	0.7162	1.0151	0.7243	0.1944	2.908	3.9175	0.1944	1.1615	0.5206	0.8921	0.3462	1.7074	1.9917	0.1944	0.1944	0.1944	1.5198	0.1944	0.4075	2.36	0.1944	3.6978	0.9058	0.5574	1.1501	1.6962	0.1962	0.1944	0.2809	1.0942
valine	1.1677	1.056	0.985	0.9084	1.097	0.8629	1.0384	0.9726	1.1386	0.9985	1.0796	1.0562	1.317	1.075	0.6295	1.0184	1.1897	0.9934	0.9579	0.988	0.9598	1.0015	0.8971	1.0225	0.9137	0.5509	1.0983	0.9053	0.5552	0.9632	0.9214	1.0467	0.5231	1.0422	0.6574	0.9111	0.9589	1.0795	1.1729	1.0167	1.0925	0.904	1.0059	1.0855	1
valylleucine	1.9344	1.0534	1.5788	1.2662	2.771	0.5978	0.1744	0.8782	0.9099	1.7634	0.6179	3.2179	0.1744	0.4094	0.1744	0.9466	1.2034	0.1744	1.1861	0.7883	0.8121	0.1744	0.4591	0.1744	0.1744	0.1744	1.1211	0.1744	0.6545	0.1744	3.6869	1.432	0.7038	1.0911	0.1744	0.1744	0.7575	0.9089	2.6734	0.1744	0.1744	1.3571	0.1744	0.1744	0.6858
vanillylmandelate (VMA)	0.3021	0.3021	0.3161	0.9694	0.3021	0.3021	0.3021	1.2713	0.3021	0.3021	0.9713	2.1285	4.1252	1.8647	3.628	0.3021	1.0362	0.9942	0.7226	3.0326	0.3021	0.8196	1.5121	0.8598	0.9195	2.7749	1	0.7795	1.2365	0.3021	1.0857	0.3306	2.4483	1.4811	0.7033	0.3021	0.8505	0.3021	1.9316	1.5077	0.9143	0.3676	0.6479	0.3021	1.6926
xanthine	0.8379	0.5421	0.7325	1.6097	1	1.8026	1.4416	0.8831	0.9945	0.8712	0.7979	1.7461	1.9423	1.1929	1.0288	0.1525	1.8801	0.6152	1.3903	1.1679	0.1525	0.9425	1.0664	0.6807	0.7462	2.0038	1.1054	0.8926	2.0797	1	1.3519	1.5835	1.1294	0.5522	0.7945	0.9306	1.093	0.7334	1.7457	1.1985	0.4341	0.6639	1.1638	0.5228	0.7024
xanthosine	0.3946	0.3946	0.5179	0.3946	0.3946	3.6967	2.888	0.3946	0.3946	0.482	0.3946	2.7394	4.0582	0.3946	0.5675	0.3946	1.3509	0.3946	0.3946	0.7664	0.3946	0.3946	0.3946	0.3946	0.3946	1.4899	1	0.8901	1.8092	0.3946	0.3946	3.7265	0.7762	0.3946	0.6111	0.7219	1.0458	0.8251	1.827	0.9542	0.5397	0.3946	1.2353	0.3946	1.096
xylitol	0.9786	1.6201	1.0213	0.3923	0.9888	6.5323	9.5522	0.3923	0.7132	0.3923	1.0745	0.6878	1.9304	0.3923	0.8245	0.3923	0.3923	0.3923	0.3923	1.2188	0.3923	0.3923	0.3923	0.3923	0.656	1.0112	0.7451	0.6283	0.9778	0.3923	0.3923	0.3923	0.5379	1.0222	0.3923	2.884	1.0471	0.3923	1.0598	0.3923	0.3923	0.3923	0.5394	0.3923	0.3923
xylonate	0.6523	1.801	0.8273	1.1585	0.6335	1.063	0.6733	0.7215	0.9734	1.2084	1.1028	0.8314	1.3606	1.3439	1.0689	0.5748	0.693	0.6351	1.2764	2.3134	1.0266	0.9076	0.776	1.1127	1.6002	0.8847	1.7022	0.494	1.043	0.4209	0.9868	0.4209	0.4209	1.7069	0.448	0.8023	1.1702	1.0132	1.2628	0.4209	0.9287	1.0176	0.807	0.9519	2.5711
xylose	1.5812	0.9917	0.4738	0.897	0.4738	1.0219	0.6052	0.7616	1.279	0.7165	1.2714	0.4738	1.7237	1.2442	1.2194	0.4738	0.4738	0.4738	0.4738	0.747	0.7025	1.0425	0.554	0.652	1.4604	0.4738	1.5331	1	1.2731	0.6165	0.7861	0.4738	0.9717	1	0.5794	1.3461	1.0727	0.4738	0.4738	0.4738	0.4738	0.8458	1.2665	0.4738	1.5809
3-CMPFP**	0.4267	0.7152	0.4537	1.2857	1.0899	0.6987	0.5843	2.6682	2.8503	0.4973	1.362	1.5709	4.2154	3.6447	2.1417	0.9067	0.5527	0.9026	0.8402	1.2378	0.989	2.64	1.0499	3.3417	1.011	0.4068	0.8019	0.2547	0.7708	0.359	1.2144	0.9987	2.6747	4.5417	1.6753	0.4322	1.0446	0.551	1	1.4909	0.6662	2.2398	0.4843	4.1444	0.3935
hydroxy-CMPF	0.0914	0.2122	0.3516	0.4167	0.3907	2.194	1.0052	1.5501	2.1455	0.3508	0.3648	1.1691	2.1715	0.7566	0.9176	0.7948	1.1679	1.3819	0.9948	2.3328	1.9977	1.4339	1.7219	3.5928	4.8708	0.1849	0.7653	0.3447	0.1916	0.3053	2.2469	1	1.0473	1.6809	1.7609	0.7172	0.797	0.693	1.1099	3.1506	0.3847	2.8584	0.2323	2.0787	0.2863
1-(14 or 15-methyl)palmitoyl-GPC (a17:0 or i17:0)*	0.0949	0.2482	1.1603	0.9231	0.4555	1.3077	0.8261	1	1.4924	2.2592	1.8848	0.5708	0.4504	2.0188	0.7778	0.7635	0.5391	1.1903	0.3634	1.7754	1.5486	1.2739	1.1663	1.6293	1.8272	0.5612	0.9391	0.3046	0.8433	0.0949	0.0949	1.7867	1.8886	2.917	0.7132	0.6385	1.1741	0.8204	0.8128	1.0939	2.5847	2.2456	0.9061	1.6828	0.7563
1-ribosyl-imidazoleacetate*	0.5377	1.0443	1.1901	0.6403	0.2116	1.6865	1	0.4872	0.8171	1.6079	1.1128	0.7915	2.1365	1.9795	2.7429	0.0082	0.7041	0.0725	1.6355	0.5133	0.8166	0.0082	0.2066	0.6277	1.6645	5.8484	1.5351	1.3878	0.0082	0.0082	1.4751	0.0082	0.4735	0.2371	2.0594	0.0082	0.0082	0.8985	1.1015	1.1779	0.0082	1.1636	0.2388	0.0082	0.214
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*	0.7476	1.5824	0.621	1.1564	0.4968	1.5847	0.5229	0.9594	0.9442	0.8598	1.7787	1.9758	3.3992	3.0463	3.3458	0.2407	1.4039	1.2082	0.6865	1.0406	0.3255	0.6851	0.6512	0.5201	0.8526	1.679	2.2991	1.3679	1.6262	0.3806	0.8214	0.857	2.4242	1.3953	2.3392	0.9025	1.1477	1.1745	1.636	0.7588	0.5457	0.6958	0.6903	1	1.0122
2'-O-methyluridine	2.2942	2.152	0.5345	1.2046	0.4807	1.6622	0.9643	0.5788	0.8421	1.0305	1.1015	1.3276	2.0593	1.4537	0.8246	1.0247	1.8078	0.9753	0.8891	0.6697	0.756	0.6533	0.9563	1.3798	0.9221	1.7538	2.0613	0.7742	1.3914	0.6255	1.4347	1.5174	0.9475	1.4345	0.9523	0.5005	1.6076	0.5989	2.0844	1.6658	1.2966	0.9199	0.6834	1	0.9544
2-oxoarginine*	0.7656	0.6291	1.1592	0.8514	1.2346	0.8509	1.1683	0.9323	1.1131	1.7178	1.0102	0.8744	1.2104	0.9898	0.3224	0.4929	1.0528	1.0913	0.8873	0.9067	1.1853	0.9051	1.1968	1.5443	2.1745	0.0293	1.6963	0.8888	0.023	1.673	0.6759	1.1005	0.0476	0.7888	0.1627	1.5261	1.3023	0.9891	0.7765	0.9314	1	1.3492	1.2803	1.884	1.1714
3,4-methylene heptanoyl carnitine	0.4783	1.0141	0.2409	1.755	1.1535	0.2409	0.2409	0.7749	0.9432	0.4932	0.2409	3.0995	6.5741	3.056	1.2881	5.5805	1.3708	1.9996	0.9718	0.254	0.9666	0.4147	1.4903	0.4853	0.2409	0.5252	0.9859	1.3595	0.2409	0.2409	3.6617	1.9928	0.6467	2.0144	0.329	0.2409	0.3777	0.3303	1.9834	1.6684	1.1341	0.2409	0.2409	0.2912	0.8659
3-formylindole	1.04	1.0179	1.2635	0.9821	0.8868	1.1802	1.2671	0.8438	1.0778	0.9653	0.703	1.3033	2.2443	1.2589	0.5995	0.8049	0.809	0.9159	0.4923	0.5358	1.0182	0.8119	0.9821	1.5363	1.1185	0.6847	1.0321	1.2029	0.6416	0.5118	0.8421	1.1145	0.8766	1.2161	0.7953	1.5606	1.1229	0.7283	2.2496	1.4477	1	0.6839	1.5652	1.2461	0.6336
3-formylindole*	0.9835	1.0658	1.5839	0.9454	1.3745	1.5294	2.1246	1.1986	1.0869	1.5287	0.4537	0.958	1.3226	0.8457	0.9149	0.9173	0.7894	1.1194	0.4707	0.5451	1.0165	0.9698	0.7898	2.225	1.2655	0.6131	1.3937	0.9527	0.394	1	0.9035	1.0844	0.4879	1.273	0.583	2.1784	0.9474	0.6726	1.6735	1.3737	1.0889	0.9604	1.2188	1.3999	0.9963
3-hydroxybutyroylglycine**	0.1173	0.1173	0.1173	0.1732	0.1173	16.1687	18.7561	0.1173	0.1173	0.7932	0.1173	0.7186	0.1173	1.8241	0.1173	0.1173	1.1919	0.1173	0.5854	0.1173	0.1173	0.1173	0.1173	1	0.1173	0.1173	0.1173	0.1173	0.1176	1	1.552	0.1173	0.1173	0.6898	1.5416	6.9978	0.1173	0.518	3.3872	1.8124	0.1173	0.9267	0.1173	0.2927	1.6516
3-hydroxybutyrylcarnitine (2)	0.1988	0.5632	0.1988	0.1988	0.1988	2.8568	11.7967	0.1988	0.1988	0.9107	0.1988	2.1429	2.652	0.1988	1.0893	0.1988	0.1988	0.1988	0.1988	0.1988	0.1988	0.1988	0.1988	0.1988	0.1988	0.1988	0.5262	0.265	0.1988	0.599	0.1988	0.1988	0.1988	1	0.1988	1.1359	0.1988	0.1988	0.5505	0.1988	0.1988	0.1988	0.1988	0.1988	1.2873
3-S-cysteinyl-2-methylpropanoate*	0.7065	0.2981	0.2981	9.7058	0.2981	1.1268	4.0561	0.2981	0.2981	0.2981	0.2981	0.4474	3.9405	0.2981	0.8732	0.2981	0.2981	0.2981	0.2981	0.2981	0.2981	0.2981	0.5327	0.2981	0.2981	0.2981	0.2981	0.2981	0.2981	0.2981	0.4877	0.2981	0.8599	1.4628	3.9704	1.144	0.2981	0.2981	1	0.7661	0.2981	0.2981	0.2981	1.9975	0.2981
5,6-dihydrouridine	1.2316	0.9942	0.8303	1.2596	0.5204	0.7725	0.57	0.7811	1.1214	1.1441	1.1473	0.8531	1.4898	1.2906	1.3809	0.6337	0.8737	0.899	1.0058	1.0238	0.7924	0.7078	0.9662	0.8675	1.0236	1.373	1.9123	1.0531	1.0071	0.5406	1.2283	1.0825	0.996	1	0.9781	1.4448	1.1246	1.0031	1.144	1.096	0.8072	0.905	0.9851	0.4718	0.9295
5-dodecenoylcarnitine (C12:1)	1.9642	1	0.0928	0.2801	0.0715	1.9102	5.4691	1.0331	0.3802	2.6621	0.4049	2.0445	2.0284	3.2835	2.2877	1.4144	0.2608	2.5676	0.3308	0.0915	0.5838	2.3144	0.1406	0.0451	0.0451	0.5144	0.3956	1.3408	0.1143	1.4248	1.2221	2.8059	0.3366	1.3145	0.4156	0.1282	1.806	0.4106	2.3624	0.8359	2.1371	0.3016	1	0.924	4.0938
6-bromotryptophan	1.7332	1.1081	1.3183	1.6036	1.0045	1.5212	0.7628	0.9636	1.7657	0.6505	1.0075	0.6348	1.4981	1.5012	0.7549	0.8742	0.9955	0.7114	0.6426	0.6693	1.0945	0.8365	1.0608	0.6112	0.5899	0.8059	2.2315	1.2898	1	0.5391	1.345	0.3401	2.5288	1.404	1.1727	0.3183	1.2799	0.7215	1.2402	1.5843	0.9395	1.275	0.8901	0.8031	0.3959
androsterone glucuronide	2.2482	0.4501	0.4659	1.9417	0.39	0.4742	0.3082	1.1677	2.8511	2.3931	2.7865	0.2769	0.296	2.0968	3.0015	0.7588	0.6044	0.5951	0.8055	1.2483	0.9313	0.8713	1.6161	1.0687	1.288	0.6661	1.4611	2.1029	0.6676	0.2769	0.6646	1.8304	1.8181	0.6927	0.9859	0.4082	1.3022	1.0309	1.1334	2.738	1.2903	1.0141	0.7926	0.9728	0.3437
argininate	0.655	2.5791	2.1615	0.5039	0.6789	0.0856	0.0856	0.5575	1.1423	0.4941	1.2745	2.2536	4.95	2.0698	2.0936	0.0856	0.8822	0.3104	0.1904	1.9344	2.4428	0.1872	1.0497	1	3.3298	0.7776	0.3571	0.4577	0.7503	0.0856	1.709	1	1.7895	0.3214	3.204	1.1571	0.0856	0.5156	0.0856	1.0972	0.0856	1.0348	0.1116	0.0935	0.0856
glycodeoxycholate sulfate	0.0582	6.0129	1.2298	1.563	0.2304	2.2488	4.3192	0.0381	0.1082	2.2462	2.5353	1.853	1.8877	1	1.1426	0.2831	0.6427	0.2039	0.0613	0.7246	0.7404	0.6223	1.4078	1.2313	3.3365	0.4659	0.5513	0.596	0.2596	0.4702	5.7289	0.2672	7.4428	3.9476	3.5447	0.6955	0.0381	1.0395	1	0.9405	0.5007	1.5978	1.8258	1.108	0.5682
hexanoylglutamine	4.0483	2.0291	0.1628	0.4703	0.1628	1.4157	23.5295	0.8699	0.6972	1.2813	0.394	4.0975	3.8593	1.9996	1.2389	0.4289	0.3001	0.5795	0.6245	0.2772	0.659	1.5306	0.1628	0.1628	0.2788	1.1301	0.1628	3.1431	0.1628	4.6105	0.2036	0.6332	0.1628	1.8532	0.1628	0.1628	0.899	0.1628	1.1058	0.785	1.101	0.1628	0.5569	0.1628	2.5558
hydroxy-CMPF*	0.0758	0.2313	0.3335	0.4459	0.4475	1.8859	0.8887	1.4367	2.1365	0.3229	0.3409	1.1408	2.4156	0.7151	0.6562	0.766	1.2324	1.3898	1.1113	2.3971	1.7998	1.3237	1.8367	3.5886	4.6465	0.1729	0.686	0.3209	0.1944	0.2956	1.988	1	1.2019	1.3727	1.4143	0.6089	0.7307	0.7218	1.0534	3.2126	0.3985	2.6759	0.2544	1.5662	0.2632
methylnaphthyl sulfate (2)*	1.1411	2.3389	1.747	0.5441	0.1345	0.4549	0.1345	0.6958	0.335	14.0587	0.1713	0.1345	0.6511	1.5983	0.3581	0.1345	0.1345	0.5264	1.1771	0.8589	1.5674	0.1345	0.6506	1.5472	4.0583	0.1345	1.5234	0.1345	0.705	8.742	0.9362	1.1577	0.6302	3.497	2.2078	5.7434	0.9843	0.1345	1.2218	0.6261	0.1345	0.773	1.6819	1.0157	0.6895
myristoleoylcarnitine*	2.2827	0.4878	0.7672	0.9962	0.4788	1.1016	5.4321	1.0038	0.6843	2.3546	0.1438	1.242	1.5586	2.2118	2.0033	1.4859	0.5566	1.2397	0.0903	0.1217	0.4254	1.5849	0.3593	0.1981	0.1402	0.8952	1.4963	1.8885	0.3447	1.2994	0.7785	4.2095	0.3759	1.4769	0.6412	0.1771	1.8365	0.8028	1.5236	0.6823	3.6169	0.0903	1.1972	0.2671	5.494
N-acetyl-2-aminoctanoate	1.0615	0.6864	6.2065	2.2275	1.027	1.1733	0.5929	2.0916	2.6567	0.1839	0.3533	0.7353	0.7278	0.973	2.0554	1.4131	0.3764	0.8232	2.1963	1.4773	0.2944	0.8745	0.8633	0.7136	0.6126	1.1372	1.7218	1.6139	0.2503	0.214	1.8993	0.8924	1.8787	3.6417	0.5993	1.3576	0.3367	0.7343	1.7837	1.1076	1.3864	2.8403	0.3109	0.1373	0.1373
N-acetyl-isoputrenine*	1.2044	2.0963	0.7247	0.9971	0.532	0.9244	1.3679	0.1105	0.1914	0.9798	0.1105	1.5094	1.748	3.6154	1.0347	0.8446	1.1661	0.8318	0.2509	1.2323	1.2379	0.3713	1.0926	0.5983	1	1.4899	1.5442	0.8645	1.3478	0.1105	0.6337	0.9938	0.668	0.5196	1.0793	1.6086	0.5679	1.1411	1.2918	0.7832	0.5452	1.4477	1.0062	0.2343	1.4572
pyroglutamylproline*	1.8413	0.4995	0.4995	0.4995	0.4995	0.4995	0.4995	0.4995	0.4995	0.4995	0.4995	0.4995	0.8671	4.7373	3.3183	0.4995	0.6447	0.4995	0.4995	0.4995	0.4995	0.4995	1.0767	0.4995	0.4995	1	0.4995	0.936	0.4995	0.4995	0.4995	0.4995	0.6041	0.4995	4.0802	1.0619	0.7355	1.5105	0.4995	0.4995	0.9381	0.4995	0.4995	0.4995	0.4995
tetradecadienoate (14:2)*	3.0907	0.9249	0.4178	0.4898	0.6035	2.0913	2.9991	2.1233	0.4792	1.9443	0.279	3.7091	2.9736	0.9821	1.1035	4.1229	0.611	1.6102	1.0179	0.8658	0.9621	3.0152	0.528	0.3171	0.3318	1.1618	0.2228	2.2088	1.3392	0.7805	1.0775	3.1177	0.1853	1.034	0.5719	0.5375	1.0962	0.2301	1.7346	0.5807	1.7284	0.3111	1	0.5852	2.9874
thioproline	0.7845	1.0773	1.8831	1.1141	0.987	0.5931	0.9855	0.6069	2.2606	0.7307	1.698	0.9213	1.2754	0.561	0.5667	1.9357	1.013	0.8937	0.9442	1.1419	1.481	1.5267	1.6682	1.2459	0.5649	0.7823	0.6737	1.3077	0.9565	0.2399	0.5158	1.0948	1.25	1.1383	0.8145	1.1399	1.165	0.6135	1	0.799	0.8399	2.523	1.2129	1.0691	0.9377
valine ion	1.0896	1.0976	1.3174	1.002	1.253	0.5428	1.1671	1.0938	1.2208	1.0432	0.938	1.0623	1.2451	0.9792	0.8479	0.795	1.3129	1.0291	0.9148	0.8981	0.8838	0.8971	0.998	1.0509	0.9243	0.843	0.9779	0.6862	0.818	1.013	0.8064	1	0.8933	0.8826	0.7581	0.7979	1.0783	1.3561	0.9824	1.1089	1.1734	0.8449	1.0735	1.0273	1.2081
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention index	quantified m/z	PubChem ID	KEGG ID	HMDB_ID
1-(14 or 15-methyl)palmitoyl-GPC (a17:0 or i17:0)*
1,2-propanediol					HMDB01881
1,3,7-trimethylurate					HMDB02123
1,3-dimethylurate					HMDB01857
1,5-anhydroglucitol (1,5-AG)					HMDB02712
1,7-dimethylurate					HMDB11103
10-heptadecenoate (17:1n7)
10-nonadecenoate (19:1n9)					HMDB13622
10-undecenoate (11:1n1)
13-HODE + 9-HODE
13-methylmyristic acid
15-methylpalmitate (isobar with 2-methylpalmitate)
16a-hydroxy DHEA 3-sulfate
16-hydroxypalmitate					HMDB06294
17-methylstearate
1-arachidonoylglycerophosphocholine (20:4n6)*
1-arachidonoylglycerophosphoethanolamine*					HMDB11517
1-arachidonoylglycerophosphoinositol*
1-arachidonoylglyercophosphate
1-arachidoylglycerophosphocholine (20:0)					HMDB10390
1-dihomo-linoleoylglycerophosphocholine (20:2n6)*
1-docosahexaenoylglycerophosphocholine (22:6n3)*
1-docosahexaenoylglycerophosphoethanolamine*
1-docosapentaenoylglycerophosphocholine (22:5n3)*
1-docosapentaenoylglycerophosphocholine (22:5n6)*
1-eicosapentaenoylglycerophosphocholine (20:5n3)*
1-eicosapentaenoylglycerophosphoethanolamine*
1-eicosatrienoylglycerophosphocholine (20:3)*
1-eicosatrienoylglycerophosphoethanolamine*
1-eicosenoylglycerophosphocholine (20:1n9)*
1-linolenoylglycerophosphocholine (18:3n3)*
1-linoleoylglycerol (1-monolinolein)
1-linoleoylglycerophosphocholine (18:2n6)
1-linoleoylglycerophosphoethanolamine*					HMDB11507
1-linoleoylglycerophosphoinositol*
1-margaroylglycerophosphocholine (17:0)					HMDB12108
1-methyl-2-piperidinecarboxylic acid
1-methylhistidine					HMDB00001
1-methylurate					HMDB03099
1-myristoylglycerophosphocholine (14:0)					HMDB10379
1-nonadecanoylglycerophosphocholine(19:0)
1-oleoylglycerol (1-monoolein)					HMDB11567
1-oleoylglycerophosphocholine (18:1)*
1-oleoylglycerophosphoethanolamine					HMDB11506
1-oleoylglycerophosphoglycerol*
1-oleoylglycerophosphoinositol*
1-oleoylplasmenylethanolamine*
1-palmitoleoylglycerophosphocholine (16:1)*
1-palmitoylglycerol (1-monopalmitin)					HMDB31074
1-palmitoylglycerophosphate					HMDB00327
1-palmitoylglycerophosphocholine (16:0)
1-palmitoylglycerophosphoethanolamine					HMDB11503
1-palmitoylglycerophosphoglycerol*
1-palmitoylglycerophosphoinositol*
1-palmitoylplasmenylethanolamine*
1-pentadecanoylglycerophosphocholine (15:0)*
1-ribosyl-imidazoleacetate*
1-stearoylglycerophosphocholine (18:0)
1-stearoylglycerophosphoethanolamine					HMDB11130
1-stearoylglycerophosphoinositol
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*
21-hydroxypregnenolone disulfate					HMDB04026
2-aminoadipate					HMDB00510
2-aminobutyrate					HMDB00650
2-aminoheptanoate
2-aminooctanoate					HMDB00991
2-aminophenol sulfate					HMDB61116
2-arachidonoylglycerophosphocholine*
2-arachidonoylglycerophosphoethanolamine*
2-docosahexaenoylglycerophosphocholine*
2-docosahexaenoylglycerophosphoethanolamine*
2-docosapentaenoylglycerophosphocholine (22:5n3)*
2-eicosatrienoylglycerophosphocholine*
2-ethylhexanoate					HMDB31230
2-ethylphenylsulfate
2-hydroxy-3-methylvalerate					HMDB00317
2-hydroxyacetaminophen sulfate*
2-hydroxybutyrate (AHB)					HMDB00008
2-hydroxydecanoate
2-hydroxyglutarate					HMDB00606
2-hydroxyhippurate (salicylurate)					HMDB00840
2-hydroxyisobutyrate					HMDB00729
2-hydroxyoctanoate					HMDB02264
2-hydroxypalmitate					HMDB31057
2-hydroxystearate
2-isopropylmalate					HMDB00402
2-linolenoylglycerophosphocholine(18:3n3)*
2-linoleoylglycerophosphocholine*
2-linoleoylglycerophosphoethanolamine*
2-methoxyacetaminophen sulfate*
2-methylbutyrylcarnitine (C5)					HMDB00378
2-myristoylglycerophosphocholine*
2-oleoylglycerol (2-monoolein)
2-oleoylglycerophosphocholine*
2-oleoylglycerophosphoethanolamine*
2'-O-methyluridine
2-oxoarginine*
2-palmitoleoylglycerophosphocholine*
2-palmitoylglycerophosphocholine*
2-palmitoylglycerophosphoethanolamine*
2-piperidinone
2-stearoylglycerophosphocholine*
2-stearoylglycerophosphoethanolamine*
3-(4-hydroxyphenyl)lactate					HMDB00755
3-(N-acetyl-L-cystein-S-yl) acetaminophen
3,4-methylene heptanoyl carnitine
3-[3-(sulfooxy)phenyl]propanoic acid*
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)					HMDB61112
3-CMPFP**
3-ethylphenylsulfate
3-formylindole
3-formylindole*
3-hydroxy-2-ethylpropionate					HMDB00396
3-hydroxybutyrate (BHBA)					HMDB00357
3-hydroxybutyroylglycine**
3-hydroxybutyrylcarnitine (2)
3-hydroxydecanoate					HMDB02203
3-hydroxyhippurate					HMDB06116
3-hydroxyisobutyrate					HMDB00336
3-hydroxyoctanoate					HMDB01954
3-hydroxypropanoate					HMDB00700
3-indoxyl sulfate					HMDB00682
3-methoxytyramine sulfate
3-methoxytyrosine					HMDB01434
3-methyl catechol sulfate (1)
3-methyl-2-oxobutyrate					HMDB00019
3-methyl-2-oxovalerate					HMDB03736
3-methylglutarylcarnitine (1)					HMDB00552
3-methylhistidine					HMDB00479
3-phenylpropionate (hydrocinnamate)					HMDB00764
3-S-cysteinyl-2-methylpropanoate*
3-ureidopropionate					HMDB00026
4-acetamidobutanoate					HMDB03681
4-acetamidophenol					HMDB01859
4-acetaminophen sulfate					HMDB59911
4-acetylphenol sulfate
4-allylphenol sulfate
4-androsten-3alpha,17alpha-diol monosulfate (2)
4-androsten-3alpha,17alpha-diol monosulfate (3)
4-androsten-3beta,17beta-diol disulfate (1)					HMDB03818
4-androsten-3beta,17beta-diol disulfate (2)					HMDB03818
4-androsten-3beta,17beta-diol monosulfate (1)					HMDB03818
4-androsten-3beta,17beta-diol monosulfate (2)
4-ethylphenylsulfate
4-guanidinobutanoate					HMDB03464
4-hydroxyhippurate					HMDB13678
4-hydroxyphenylpyruvate					HMDB00707
4-imidazoleacetate					HMDB02024
4-methyl-2-oxopentanoate					HMDB00695
4-methylcatechol sulfate
4-vinylphenol sulfate					HMDB04072
5,6-dihydrothymine					HMDB00079
5,6-dihydrouracil					HMDB00076
5,6-dihydrouridine
5-acetylamino-6-amino-3-methyluracil					HMDB04400
5-acetylamino-6-formylamino-3-methyluracil					HMDB11105
5alpha-androstan-3alpha, 17beta-diol-17-glucosiduronate
5alpha-androstan-3alpha,17alpha-diol monosulfate
5alpha-androstan-3alpha,17beta-diol disulfate
5alpha-androstan-3alpha,17beta-diol monosulfate (2)
5alpha-androstan-3beta,17alpha-diol disulfate
5alpha-androstan-3beta,17beta-diol disulfate					HMDB00493
5alpha-pregnan-3(alpha or beta),20beta-diol disulfate
5alpha-pregnan-3beta,20alpha-diol disulfate
5alpha-pregnan-3beta,20alpha-diol monsulfate (2)
5-dodecenoate (12:1n7)					HMDB00529
5-dodecenoylcarnitine (C12:1)
5-hydroxyhexanoate					HMDB00525
5-hydroxyindoleacetate					HMDB00763
5-methylthioadenosine (MTA)					HMDB01173
5-methyluridine (ribothymidine)					HMDB00884
5-oxoproline					HMDB00267
6-bromotryptophan
6-oxopiperidine-2-carboxylic acid
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)					HMDB12458
7-methylguanine					HMDB00897
7-methylurate
7-methylxanthine					HMDB01991
acetoacetate					HMDB00060
acetylcarnitine					HMDB00201
acisoga
adenosine					HMDB00050
adenosine 3',5'-cyclic monophosphate (cAMP)					HMDB00058
adenosine 5'-monophosphate (AMP)					HMDB00045
adrenate (22:4n6)					HMDB02226
ADSGEGDFXAEGGGVR*
alanine					HMDB00161
alanylleucine
allantoin					HMDB00462
allo-isoleucine
alpha-hydroxycaproate					HMDB01624
alpha-hydroxyisocaproate					HMDB00746
alpha-hydroxyisovalerate					HMDB00407
alpha-ketoglutarate					HMDB00208
alpha-tocopherol					HMDB01893
andro steroid monosulfate (1)*					HMDB02759
androsterone glucuronide					HMDB0002829
androsterone sulfate					HMDB02759
arabinose					HMDB00646
arabonate					HMDB00539
arachidate (20:0)					HMDB02212
arachidonate (20:4n6)					HMDB01043
argininate
arginine					HMDB00517
asparagine					HMDB00168
aspartate					HMDB00191
aspartylleucine
azelate (nonanedioate)					HMDB00784
benzoate					HMDB01870
beta-alanine					HMDB00056
beta-hydroxyisovalerate					HMDB00754
beta-hydroxypyruvate					HMDB01352
betaine					HMDB00043
bilirubin (E,E)*
bilirubin (Z,Z)					HMDB00054
biliverdin					HMDB01008
biotin					HMDB00030
bradykinin, des-arg(9)					HMDB04246
bradykinin, hydroxy-pro(3)					HMDB11728
butyrylcarnitine					HDMB02013
caffeine					HMDB01847
caprate (10:0)					HMDB00511
caproate (6:0)					HMDB00535
caprylate (8:0)					HMDB00482
carnitine					HMDB00062
catechol sulfate					HMDB59724
C-glycosyltryptophan*
chenodeoxycholate					HMDB00518
cholate					HMDB00619
cholesterol					HMDB00067
choline					HMDB00097
cinnamoylglycine					HMDB11621
cis-4-decenoyl carnitine
cis-vaccenate (18:1n7)					HMDB03231
citrate					HMDB00094
citrulline					HMDB00904
corticosterone					HMDB01547
cortisol					HMDB00063
cortisone					HMDB02802
cotinine					HMDB01046
creatine					HMDB00064
creatinine					HMDB00562
cyclo(leu-pro)
cyclo(L-phe-L-pro)
cys-gly, oxidized
cysteine					HMDB00574
cysteine sulfinic acid					HMDB00996
cysteine-glutathione disulfide					HMDB00656
cystine					HMDB00192
cytidine					HMDB00089
decanoylcarnitine					HMDB00651
dehydroisoandrosterone sulfate (DHEA-S)					HMDB01032
deoxycarnitine					HMDB01161
deoxycholate					HMDB00626
dihomo-linoleate (20:2n6)					HMDB05060
dihomo-linolenate (20:3n3 or n6)					HMDB02925
dihydroferulic acid
dimethyl sulfone					HMDB04983
dimethylarginine (SDMA + ADMA)					HMDB01539
docosadienoate (22:2n6)
docosahexaenoate (DHA; 22:6n3)					HMDB02183
docosapentaenoate (n3 DPA; 22:5n3)					HMDB01976
docosapentaenoate (n6 DPA; 22:5n6)					HMDB13123
docosatrienoate (22:3n3)					HMDB02823
dodecanedioate					HMDB00623
DSGEGDFXAEGGGVR*
eicosapentaenoate (EPA; 20:5n3)					HMDB01999
eicosenoate (20:1n9 or 11)
epiandrosterone sulfate					HMDB00365
erythritol					HMDB02994
erythronate*					HMDB00613
estrone 3-sulfate					HMDB01425
ethanolamine					HMDB00149
ethyl glucuronide
etiocholanolone glucuronide
ferulic acid 4-sulfate					HMDB29200
folate					HMDB00121
fructose					HMDB00660
fumarate					HMDB00134
gamma-CEHC					HMDB01931
gamma-CEHC glucuronide*
gamma-glutamylalanine
gamma-glutamylglutamine					HMDB11738
gamma-glutamylisoleucine*					HMDB11170
gamma-glutamylleucine					HMDB11171
gamma-glutamyllysine					HMDB03869
gamma-glutamylmethionine
gamma-glutamylphenylalanine					HMDB00594
gamma-glutamyltyrosine					HMDB11741
gamma-glutamylvaline					HMDB11172
gluconate					HMDB00625
glucose					HMDB00122
glutamate					HMDB00148
glutamine					HMDB00641
glutamine-leucine
glutarylcarnitine (C5)					HMDB13130
glycerate					HMDB00139
glycerol					HMDB00131
glycerol 2-phosphate					HMDB02520
glycerol 3-phosphate (G3P)					HMDB00126
glycerophosphorylcholine (GPC)					HMDB00086
glycine					HMDB00123
glycochenodeoxycholate					HMDB00637
glycocholate					HMDB00138
glycocholenate sulfate*
glycodeoxycholate					HMDB00631
glycodeoxycholate sulfate
glycohyocholate
glycolate (hydroxyacetate)					HMDB00115
glycolithocholate sulfate*					HMDB02639
glycoursodeoxycholate					HMDB00708
glycylleucine					HMDB00759
glycylphenylalanine					HMDB28848
guanidinoacetate					HMDB00128
guanine					HMDB00132
guanosine					HMDB00133
heme
HEPES
heptanoate (7:0)					HMDB00666
hexadecanedioate					HMDB00672
hexanoylcarnitine					HMDB00705
hexanoylglutamine
hippurate					HMDB00714
histidine					HMDB00177
homocitrulline					HMDB00679
homocysteine					HMDB00742
homostachydrine*					HMDB33433
HWESASLLR
HWESASXX*
hydantoin-5-propionic acid					HMDB01212
hydroquinone sulfate					HMDB02434
hydroxybutyrylcarnitine*					HMDB13127
hydroxy-CMPF
hydroxy-CMPF*
hydroxycotinine					HMDB01390
hypoxanthine					HMDB00157
imidazole lactate					HMDB02320
indole-3-carboxylic acid					HMDB03320
indoleacetate					HMDB00197
indoleacetylglutamine					HMDB13240
indolelactate					HMDB00671
indolepropionate					HMDB02302
inosine					HMDB00195
inositol 1-phosphate (I1P)					HMDB00213
isobutyrylcarnitine					HMDB00736
isobutyrylglycine					HMDB00730
isoleucine					HMDB00172
isoleucylleucine
isoleucylvaline
isovalerate					HMDB00718
isovalerylcarnitine					HMDB00688
kynurenate					HMDB00715
kynurenine					HMDB00684
lactate					HMDB00190
laurate (12:0)					HMDB00638
laurylcarnitine*					HMDB02250
leucine					HMDB00687
leucylleucine					HMDB28933
linoleate (18:2n6)					HMDB00673
linoleate, methyl ester
linolenate [alpha or gamma; (18:3n3 or 6)]
linoleoylcarnitine*					HMDB06469
L-urobilin					HMDB04159
lysine					HMDB00182
malate					HMDB00156
mannitol					HMDB00765
mannose					HMDB00169
margarate (17:0)					HMDB02259
mead acid (20:3n9)					HMDB10378
methionine					HMDB00696
methyl glucopyranoside (alpha + beta)
methyl indole-3-acetate					HMDB29738
methylnaphthyl sulfate (2)*
myo-inositol					HMDB00211
myristate (14:0)					HMDB00806
myristoleate (14:1n5)					HMDB02000
myristoleoylcarnitine*
myristoylcarnitine					HMDB05066
N-(2-furoyl)glycine					HMDB00439
N1-Methyl-2-pyridone-5-carboxamide					HMDB04193
N1-methyladenosine					HMDB03331
N1-methylguanosine					HMDB01563
N2,N2-dimethylguanosine					HMDB04824
N4-acetylcytidine					HMDB05923
N6-acetyllysine					HMDB00206
N6-carbamoylthreonyladenosine					HMDB41623
N-6-trimethyllysine					HMDB01325
N-acetyl-2-aminoctanoate
N-acetylalanine					HMDB00766
N-acetylalliin
N-acetylarginine					HMDB04620
N-acetylaspartate (NAA)					HMDB00812
N-acetyl-aspartyl-glutamate (NAAG)					HMDB01067
N-acetyl-beta-alanine
N-acetylcarnosine					HMDB12881
N-acetylglutamate					HMDB01138
N-acetylglutamine					HMDB06029
N-acetylglycine					HMDB00532
N-acetylhistidine					HMDB32055
N-acetylisoleucine
N-acetyl-isoputrenine*
N-acetylleucine					HMDB11756
N-acetylmethionine					HMDB11745
N-acetylmethionine sulfoxide
N-acetylphenylalanine					HMDB00512
N-acetylthreonine
N-acetyltryptophan					HMDB13713
N-acetyltyrosine					HMDB00866
N-delta-acetylornithine
N-formylmethionine					HMDB01015
nicotinamide					HMDB01406
N-methyl proline
N-oleoyltaurine
nonadecanoate (19:0)					HMDB00772
N-palmitoyl glycine
N-palmitoyltaurine
o-cresol sulfate
octadecanedioate					HMDB00782
octanoylcarnitine					HMDB00791
oleate (18:1n9)					HMDB00207
oleic ethanolamide					HMDB02088
oleoylcarnitine					HMDB05065
O-methylcatechol sulfate
ornithine					HMDB03374
O-sulfo-L-tyrosine
p-acetamidophenylglucuronide					HMDB10316
palmitate (16:0)					HMDB00220
palmitate, methyl ester
palmitoleate (16:1n7)					HMDB03229
palmitoyl ethanolamide					HMDB02100
palmitoyl sphingomyelin
palmitoylcarnitine					HMDB00222
p-aminobenzoate (PABA)					HMDB01392
pantothenate					HMDB00210
paraxanthine					HMDB01860
p-cresol sulfate					HMDB11635
penicillin G					HMDB15186
pentadecanoate (15:0)					HMDB00826
phenol red
phenol sulfate					HMDB60015
phenylacetylglutamine					HMDB06344
phenylacetylglycine					HMDB00821
phenylalanine					HMDB00159
phenylalanylarginine
phenylalanylleucine
phenylalanylphenylalanine
phenylalanyltryptophan
phenylcarnitine*
phenyllactate (PLA)					HMDB00779
phenylpyruvate					HMDB00205
phosphate					HMDB01429
pipecolate					HMDB00070
piperine					HMDB29377
pregn steroid monosulfate*
pregnanediol-3-glucuronide
pregnen-diol disulfate*
pregnenolone sulfate					HMDB00774
pro-hydroxy-pro					HMDB06695
proline					HMDB00162
propionylcarnitine					HMDB00824
pseudouridine					HMDB00767
pyridoxate					HMDB00017
pyridoxine (Vitamin B6)					HMDB02075
pyroglutamine*
pyroglutamylglutamine
pyroglutamylproline*
pyruvate					HMDB00243
quinate					HMDB03072
quinine
riboflavin (Vitamin B2)					HMDB00244
ribose					HMDB00283
ribulose					HMDB00621
saccharin					HMDB29723
S-adenosylhomocysteine (SAH)					HMDB00939
salicylate					HMDB01895
salicyluric glucuronide*
serine					HMDB00187
S-methylcysteine					HMDB02108
sorbitol					HMDB00247
sphinganine					HMDB00269
sphingosine					HMDB00252
sphingosine 1-phosphate					HMDB00277
stachydrine					HMDB04827
stearate (18:0)					HMDB00827
stearidonate (18:4n3)					HMDB06547
stearoyl sphingomyelin					HMDB01348
stearoylcarnitine					HMDB00848
streptomycin
succinate					HMDB00254
succinylcarnitine
sucrose					HMDB00258
sulfate*					HMDB01448
tartarate					HMDB00956
tartronate (hydroxymalonate)					HMDB35227
taurine					HMDB00251
tauro-beta-muricholate					HMDB00932
taurochenodeoxycholate					HMDB00951
taurocholate					HMDB00036
taurocholenate sulfate
taurodeoxycholate					HMDB00896
taurolithocholate 3-sulfate					HMDB02580
tetradecadienoate (14:2)*
tetradecanedioate					HMDB00872
theanine					HMDB34365
theobromine					HMDB02825
theophylline					HMDB01889
thiamin (Vitamin B1)					HMDB00325
thioproline
threitol					HMDB04136
threonate					HMDB00943
threonine					HMDB00167
thymol sulfate					HMDB01878
thyroxine					HMDB01918
tiglyl carnitine					HMDB02366
trans-4-hydroxyproline					HMDB00725
trigonelline (N'-methylnicotinate)					HMDB00875
tryptophan					HMDB00929
tryptophan betaine					HMDB61115
tyrosine					HMDB00158
undecanedioate					HMDB00888
uracil					HMDB00300
urate					HMDB00289
urea					HMDB00294
uridine					HMDB00296
ursodeoxycholate					HMDB00946
valerylcarnitine					HMDB13128
valine					HMDB00883
valine ion
valylleucine
vanillylmandelate (VMA)					HMDB00291
xanthine					HMDB00292
xanthosine					HMDB00299
xylitol					HMDB02917
xylonate					HMDB60256
xylose					HMDB00098
METABOLITES_END
#END