#METABOLOMICS WORKBENCH jravilap_20250815_103924 DATATRACK_ID:6296 STUDY_ID:ST004132 ANALYSIS_ID:AN006846 PROJECT_ID:PR002599
VERSION             	1
CREATED_ON             	August 21, 2025, 10:05 am
#PROJECT
PR:PROJECT_TITLE                 	Portal Vein Enriched Metabolites as Intermediate Regulators of the Gut
PR:PROJECT_TITLE                 	Microbiome in Insulin Resistance
PR:PROJECT_SUMMARY               	Diet and obesity significantly contribute to insulin resistance and type 2
PR:PROJECT_SUMMARY               	diabetes, in part via the gut microbiome. To explore the role of gut-derived
PR:PROJECT_SUMMARY               	metabolites on host metabolism, we assessed portal/peripheral blood metabolites
PR:PROJECT_SUMMARY               	in mice with different risks of obesity/diabetes challenged with high-fat diet
PR:PROJECT_SUMMARY               	(HFD) +/- antibiotics. In diabetes/obesity-prone C57Bl/6J mice, 111 were
PR:PROJECT_SUMMARY               	portally-enriched and 74 were peripherally-enriched, many of which differed in
PR:PROJECT_SUMMARY               	metabolic-syndrome-resistant 129S1/129S6 mice. Vancomycin treatment of HFD-fed
PR:PROJECT_SUMMARY               	C57Bl/6J mice modified the microbiome and portal/peripheral ratio of many
PR:PROJECT_SUMMARY               	metabolites, including upregulating multiple TCA cycle-related metabolites, like
PR:PROJECT_SUMMARY               	mesaconate, in portal blood. Treatment of hepatocytes in vitro with mesaconate
PR:PROJECT_SUMMARY               	and its isomers (itaconate, citraconate) improved insulin signaling and
PR:PROJECT_SUMMARY               	transcriptionally regulated genes involved in gluconeogenesis, fatty acid
PR:PROJECT_SUMMARY               	oxidation and lipogenesis both in vitro and in vivo. Thus, portal vs. peripheral
PR:PROJECT_SUMMARY               	metabolites play important roles in mediating effects of the microbiome on
PR:PROJECT_SUMMARY               	hepatic metabolism and the pathogenesis of HFD-related insulin resistance. This
PR:PROJECT_SUMMARY               	data deposition contains two studies: one assessing the role of diet and the
PR:PROJECT_SUMMARY               	microbiome on portal metabolites, and another estimating the role of genetic
PR:PROJECT_SUMMARY               	background on portal-enriched metabolites.
PR:INSTITUTE                     	Broad Institute of MIT and Harvard
PR:DEPARTMENT                    	Metabolomics Platform
PR:LAST_NAME                     	Kahn
PR:FIRST_NAME                    	Ronald
PR:ADDRESS                       	One Joslin Place, Boston, MA 02215
PR:EMAIL                         	c.ronald.kahn@joslin.harvard.edu
PR:PHONE                         	(617) 309-2635
PR:FUNDING_SOURCE                	R01DK121967, R01DK031036, R01DK128429, P30DK036836 (to Joslin Diabetes Center),
PR:FUNDING_SOURCE                	the Mary K. Iacocca Professorship (to C.R.K), and the FAPESP Process No.:
PR:FUNDING_SOURCE                	2022/05957-0
PR:PROJECT_COMMENTS              	Two part study (Part 1)
PR:CONTRIBUTORS                  	Vitor Rosetto Muñoz, Francois Moreau, Marion Soto, Loc Duyen Pham, Jimmy Zhong,
PR:CONTRIBUTORS                  	Sam Zimmerman, Bruna B. Brandao, Khyati Girdhar, Julian Avila, Hui Pan, Jonathan
PR:CONTRIBUTORS                  	Dreyfuss, Emrah Altindis, Aleksandar Kostic, Clary B. Clish, C. Ronald Kahn
#STUDY
ST:STUDY_TITLE                   	Metabolite profiling of portal plasma, cardiac puncture plasma, and cecal
ST:STUDY_TITLE                   	contents of 129 T, 129 J, C57Bl6 mice.
ST:STUDY_SUMMARY                 	This study compared portal and cardiac blood metabolomes in B6J, 129J, and 129T
ST:STUDY_SUMMARY                 	mice on a high-fat diet to integrate host genetic effects, gut microbiome
ST:STUDY_SUMMARY                 	profiles, and portal metabolite enrichment. While 27 metabolites were
ST:STUDY_SUMMARY                 	consistently enriched in portal blood and 24 in cardiac blood across all
ST:STUDY_SUMMARY                 	strains, most metabolites showed strain-specific enrichment patterns. Examples
ST:STUDY_SUMMARY                 	include stearate being portal-enriched only in B6J mice, acetyl-galactosamine in
ST:STUDY_SUMMARY                 	129 strains, and C4 carnitine cardiac-enriched in B6J but not in 129 strains.
ST:STUDY_SUMMARY                 	These differences were not strongly correlated with cecal metabolite profiles,
ST:STUDY_SUMMARY                 	highlighting the role of distinct gut regions and host–microbiome interactions
ST:STUDY_SUMMARY                 	in shaping portal metabolite composition. Correlation analyses revealed that
ST:STUDY_SUMMARY                 	metabolites enriched in 129 strains were generally associated with metabolically
ST:STUDY_SUMMARY                 	beneficial (Class I+) bacteria and favorable metabolic traits, while those
ST:STUDY_SUMMARY                 	enriched in B6J mice correlated with metabolically harmful (Class II+) bacteria
ST:STUDY_SUMMARY                 	and adverse metabolic outcomes. Furthermore, specific metabolites displayed
ST:STUDY_SUMMARY                 	strain-dependent shifts in portal versus cardiac enrichment, suggesting
ST:STUDY_SUMMARY                 	differences in hepatic extraction or addition. Overall, higher portal enrichment
ST:STUDY_SUMMARY                 	in 129 strains was linked to improved metabolic profiles, whereas higher
ST:STUDY_SUMMARY                 	enrichment in B6J mice was associated with metabolic dysfunction.
ST:INSTITUTE                     	Broad Institute of MIT and Harvard
ST:LAST_NAME                     	Kahn
ST:FIRST_NAME                    	Ronald
ST:ADDRESS                       	One Joslin Place, Boston, MA 02215
ST:EMAIL                         	c.ronald.kahn@joslin.harvard.edu
ST:PHONE                         	(617) 309-2635
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	B6J, 129S1, and 129S6 (129T)
SU:AGE_OR_AGE_RANGE              	8 week, 20 weeks at end of treatment
SU:GENDER                        	Male
SU:ANIMAL_ANIMAL_SUPPLIER        	B6J and 129J from Jackson Laboratory (Bar Harbor, ME) and 129T from Taconic
SU:ANIMAL_ANIMAL_SUPPLIER        	Farms (Germantown, NY)
SU:ANIMAL_HOUSING                	Housed 4 animals per cage
SU:ANIMAL_FEED                   	High fat diet containing 60% fat by calories (HFD, D12492, Research Diets)
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	CC13	Sample source:Cecal Contents | Strain:129 J | Injection order:64	RAW_FILE_NAME(C8-POS)=0054_KAH_Portal_CP-CC13; RAW_FILE_NAME(HILIC-POS)=0054_KAH_Portal_HP-CC13; RAW_FILE_NAME(C18-NEG)=0054_KAH_Portal_CN-CC13; RAW_FILE_NAME(HILIC-NEG)=0054_KAH_Portal_HN_CC13
SUBJECT_SAMPLE_FACTORS           	-	CC14	Sample source:Cecal Contents | Strain:129 J | Injection order:55	RAW_FILE_NAME(C8-POS)=0045_KAH_Portal_CP-CC14; RAW_FILE_NAME(HILIC-POS)=0045_KAH_Portal_HP-CC14; RAW_FILE_NAME(C18-NEG)=0045_KAH_Portal_CN-CC14; RAW_FILE_NAME(HILIC-NEG)=0045_KAH_Portal_HN_CC14
SUBJECT_SAMPLE_FACTORS           	-	CC15	Sample source:Cecal Contents | Strain:129 J | Injection order:51	RAW_FILE_NAME(C8-POS)=0041_KAH_Portal_CP-CC15; RAW_FILE_NAME(HILIC-POS)=0041_KAH_Portal_HP-CC15; RAW_FILE_NAME(C18-NEG)=0041_KAH_Portal_CN-CC15; RAW_FILE_NAME(HILIC-NEG)=0041_KAH_Portal_HN_CC15
SUBJECT_SAMPLE_FACTORS           	-	CC16	Sample source:Cecal Contents | Strain:129 J | Injection order:61	RAW_FILE_NAME(C8-POS)=0051_KAH_Portal_CP-CC16; RAW_FILE_NAME(HILIC-POS)=0051_KAH_Portal_HP-CC16; RAW_FILE_NAME(C18-NEG)=0051_KAH_Portal_CN-CC16; RAW_FILE_NAME(HILIC-NEG)=0051_KAH_Portal_HN_CC16
SUBJECT_SAMPLE_FACTORS           	-	CC17	Sample source:Cecal Contents | Strain:129 J | Injection order:56	RAW_FILE_NAME(C8-POS)=0046_KAH_Portal_CP-CC17; RAW_FILE_NAME(HILIC-POS)=0046_KAH_Portal_HP-CC17; RAW_FILE_NAME(C18-NEG)=0046_KAH_Portal_CN-CC17; RAW_FILE_NAME(HILIC-NEG)=0046_KAH_Portal_HN_CC17
SUBJECT_SAMPLE_FACTORS           	-	CC18	Sample source:Cecal Contents | Strain:129 J | Injection order:57	RAW_FILE_NAME(C8-POS)=0047_KAH_Portal_CP-CC18; RAW_FILE_NAME(HILIC-POS)=0047_KAH_Portal_HP-CC18; RAW_FILE_NAME(C18-NEG)=0047_KAH_Portal_CN-CC18; RAW_FILE_NAME(HILIC-NEG)=0047_KAH_Portal_HN_CC18
SUBJECT_SAMPLE_FACTORS           	-	CP13	Sample source:Cardiac Puncture | Strain:129 J | Injection order:20	RAW_FILE_NAME(C8-POS)=0018_KAH_Portal_CP-CP13; RAW_FILE_NAME(HILIC-POS)=0018_KAH_Portal_HP-CP13; RAW_FILE_NAME(C18-NEG)=0018_KAH_Portal_CN-CP13; RAW_FILE_NAME(HILIC-NEG)=0018_KAH_Portal_HN_CP13
SUBJECT_SAMPLE_FACTORS           	-	CP14	Sample source:Cardiac Puncture | Strain:129 J | Injection order:11	RAW_FILE_NAME(C8-POS)=0009_KAH_Portal_CP-CP14; RAW_FILE_NAME(HILIC-POS)=0009_KAH_Portal_HP-CP14; RAW_FILE_NAME(C18-NEG)=0009_KAH_Portal_CN-CP14; RAW_FILE_NAME(HILIC-NEG)=0009_KAH_Portal_HN_CP14
SUBJECT_SAMPLE_FACTORS           	-	CP15	Sample source:Cardiac Puncture | Strain:129 J | Injection order:7	RAW_FILE_NAME(C8-POS)=0005_KAH_Portal_CP-CP15; RAW_FILE_NAME(HILIC-POS)=0005_KAH_Portal_HP-CP15; RAW_FILE_NAME(C18-NEG)=0005_KAH_Portal_CN-CP15; RAW_FILE_NAME(HILIC-NEG)=0005_KAH_Portal_HN_CP15
SUBJECT_SAMPLE_FACTORS           	-	CP16	Sample source:Cardiac Puncture | Strain:129 J | Injection order:17	RAW_FILE_NAME(C8-POS)=0015_KAH_Portal_CP-CP16; RAW_FILE_NAME(HILIC-POS)=0015_KAH_Portal_HP-CP16; RAW_FILE_NAME(C18-NEG)=0015_KAH_Portal_CN-CP16; RAW_FILE_NAME(HILIC-NEG)=0015_KAH_Portal_HN_CP16
SUBJECT_SAMPLE_FACTORS           	-	CP17	Sample source:Cardiac Puncture | Strain:129 J | Injection order:12	RAW_FILE_NAME(C8-POS)=0010_KAH_Portal_CP-CP17; RAW_FILE_NAME(HILIC-POS)=0010_KAH_Portal_HP-CP17; RAW_FILE_NAME(C18-NEG)=0010_KAH_Portal_CN-CP17; RAW_FILE_NAME(HILIC-NEG)=0010_KAH_Portal_HN_CP17
SUBJECT_SAMPLE_FACTORS           	-	CP18	Sample source:Cardiac Puncture | Strain:129 J | Injection order:13	RAW_FILE_NAME(C8-POS)=0011_KAH_Portal_CP-CP18; RAW_FILE_NAME(HILIC-POS)=0011_KAH_Portal_HP-CP18; RAW_FILE_NAME(C18-NEG)=0011_KAH_Portal_CN-CP18; RAW_FILE_NAME(HILIC-NEG)=0011_KAH_Portal_HN_CP18
SUBJECT_SAMPLE_FACTORS           	-	PV13	Sample source:Portal Vein | Strain:129 J | Injection order:42	RAW_FILE_NAME(C8-POS)=0036_KAH_Portal_CP-PV13; RAW_FILE_NAME(HILIC-POS)=0036_KAH_Portal_HP-PV13; RAW_FILE_NAME(C18-NEG)=0036_KAH_Portal_CN-PV13; RAW_FILE_NAME(HILIC-NEG)=0036_KAH_Portal_HN_PV13
SUBJECT_SAMPLE_FACTORS           	-	PV14	Sample source:Portal Vein | Strain:129 J | Injection order:33	RAW_FILE_NAME(C8-POS)=0027_KAH_Portal_CP-PV14; RAW_FILE_NAME(HILIC-POS)=0027_KAH_Portal_HP-PV14; RAW_FILE_NAME(C18-NEG)=0027_KAH_Portal_CN-PV14; RAW_FILE_NAME(HILIC-NEG)=0027_KAH_Portal_HN_PV14
SUBJECT_SAMPLE_FACTORS           	-	PV15	Sample source:Portal Vein | Strain:129 J | Injection order:29	RAW_FILE_NAME(C8-POS)=0023_KAH_Portal_CP-PV15; RAW_FILE_NAME(HILIC-POS)=0023_KAH_Portal_HP-PV15; RAW_FILE_NAME(C18-NEG)=0023_KAH_Portal_CN-PV15; RAW_FILE_NAME(HILIC-NEG)=0023_KAH_Portal_HN_PV15
SUBJECT_SAMPLE_FACTORS           	-	PV16	Sample source:Portal Vein | Strain:129 J | Injection order:39	RAW_FILE_NAME(C8-POS)=0033_KAH_Portal_CP-PV16; RAW_FILE_NAME(HILIC-POS)=0033_KAH_Portal_HP-PV16; RAW_FILE_NAME(C18-NEG)=0033_KAH_Portal_CN-PV16; RAW_FILE_NAME(HILIC-NEG)=0033_KAH_Portal_HN_PV16
SUBJECT_SAMPLE_FACTORS           	-	PV17	Sample source:Portal Vein | Strain:129 J | Injection order:34	RAW_FILE_NAME(C8-POS)=0028_KAH_Portal_CP-PV17; RAW_FILE_NAME(HILIC-POS)=0028_KAH_Portal_HP-PV17; RAW_FILE_NAME(C18-NEG)=0028_KAH_Portal_CN-PV17; RAW_FILE_NAME(HILIC-NEG)=0028_KAH_Portal_HN_PV17
SUBJECT_SAMPLE_FACTORS           	-	PV18	Sample source:Portal Vein | Strain:129 J | Injection order:35	RAW_FILE_NAME(C8-POS)=0029_KAH_Portal_CP-PV18; RAW_FILE_NAME(HILIC-POS)=0029_KAH_Portal_HP-PV18; RAW_FILE_NAME(C18-NEG)=0029_KAH_Portal_CN-PV18; RAW_FILE_NAME(HILIC-NEG)=0029_KAH_Portal_HN_PV18
SUBJECT_SAMPLE_FACTORS           	-	CC10	Sample source:Cecal Contents | Strain:129 T | Injection order:52	RAW_FILE_NAME(C8-POS)=0042_KAH_Portal_CP-CC10; RAW_FILE_NAME(HILIC-POS)=0042_KAH_Portal_HP-CC10; RAW_FILE_NAME(C18-NEG)=0042_KAH_Portal_CN-CC10; RAW_FILE_NAME(HILIC-NEG)=0042_KAH_Portal_HN_CC10
SUBJECT_SAMPLE_FACTORS           	-	CC11	Sample source:Cecal Contents | Strain:129 T | Injection order:53	RAW_FILE_NAME(C8-POS)=0043_KAH_Portal_CP-CC11; RAW_FILE_NAME(HILIC-POS)=0043_KAH_Portal_HP-CC11; RAW_FILE_NAME(C18-NEG)=0043_KAH_Portal_CN-CC11; RAW_FILE_NAME(HILIC-NEG)=0043_KAH_Portal_HN_CC11
SUBJECT_SAMPLE_FACTORS           	-	CC12	Sample source:Cecal Contents | Strain:129 T | Injection order:58	RAW_FILE_NAME(C8-POS)=0048_KAH_Portal_CP-CC12; RAW_FILE_NAME(HILIC-POS)=0048_KAH_Portal_HP-CC12; RAW_FILE_NAME(C18-NEG)=0048_KAH_Portal_CN-CC12; RAW_FILE_NAME(HILIC-NEG)=0048_KAH_Portal_HN_CC12
SUBJECT_SAMPLE_FACTORS           	-	CC7	Sample source:Cecal Contents | Strain:129 T | Injection order:54	RAW_FILE_NAME(C8-POS)=0044_KAH_Portal_CP-CC7; RAW_FILE_NAME(HILIC-POS)=0044_KAH_Portal_HP-CC7; RAW_FILE_NAME(C18-NEG)=0044_KAH_Portal_CN-CC7; RAW_FILE_NAME(HILIC-NEG)=0044_KAH_Portal_HN_CC7
SUBJECT_SAMPLE_FACTORS           	-	CC8	Sample source:Cecal Contents | Strain:129 T | Injection order:50	RAW_FILE_NAME(C8-POS)=0040_KAH_Portal_CP-CC8; RAW_FILE_NAME(HILIC-POS)=0040_KAH_Portal_HP-CC8; RAW_FILE_NAME(C18-NEG)=0040_KAH_Portal_CN-CC8; RAW_FILE_NAME(HILIC-NEG)=0040_KAH_Portal_HN_CC8
SUBJECT_SAMPLE_FACTORS           	-	CC9	Sample source:Cecal Contents | Strain:129 T | Injection order:59	RAW_FILE_NAME(C8-POS)=0049_KAH_Portal_CP-CC9; RAW_FILE_NAME(HILIC-POS)=0049_KAH_Portal_HP-CC9; RAW_FILE_NAME(C18-NEG)=0049_KAH_Portal_CN-CC9; RAW_FILE_NAME(HILIC-NEG)=0049_KAH_Portal_HN_CC9
SUBJECT_SAMPLE_FACTORS           	-	CP10	Sample source:Cardiac Puncture | Strain:129 T | Injection order:8	RAW_FILE_NAME(C8-POS)=0006_KAH_Portal_CP-CP10; RAW_FILE_NAME(HILIC-POS)=0006_KAH_Portal_HP-CP10; RAW_FILE_NAME(C18-NEG)=0006_KAH_Portal_CN-CP10; RAW_FILE_NAME(HILIC-NEG)=0006_KAH_Portal_HN_CP10
SUBJECT_SAMPLE_FACTORS           	-	CP11	Sample source:Cardiac Puncture | Strain:129 T | Injection order:9	RAW_FILE_NAME(C8-POS)=0007_KAH_Portal_CP-CP11; RAW_FILE_NAME(HILIC-POS)=0007_KAH_Portal_HP-CP11; RAW_FILE_NAME(C18-NEG)=0007_KAH_Portal_CN-CP11; RAW_FILE_NAME(HILIC-NEG)=0007_KAH_Portal_HN_CP11
SUBJECT_SAMPLE_FACTORS           	-	CP12	Sample source:Cardiac Puncture | Strain:129 T | Injection order:14	RAW_FILE_NAME(C8-POS)=0012_KAH_Portal_CP-CP12; RAW_FILE_NAME(HILIC-POS)=0012_KAH_Portal_HP-CP12; RAW_FILE_NAME(C18-NEG)=0012_KAH_Portal_CN-CP12; RAW_FILE_NAME(HILIC-NEG)=0012_KAH_Portal_HN_CP12
SUBJECT_SAMPLE_FACTORS           	-	CP7	Sample source:Cardiac Puncture | Strain:129 T | Injection order:10	RAW_FILE_NAME(C8-POS)=0008_KAH_Portal_CP-CP7; RAW_FILE_NAME(HILIC-POS)=0008_KAH_Portal_HP-CP7; RAW_FILE_NAME(C18-NEG)=0008_KAH_Portal_CN-CP7; RAW_FILE_NAME(HILIC-NEG)=0008_KAH_Portal_HN_CP7
SUBJECT_SAMPLE_FACTORS           	-	CP8	Sample source:Cardiac Puncture | Strain:129 T | Injection order:6	RAW_FILE_NAME(C8-POS)=0004_KAH_Portal_CP-CP8; RAW_FILE_NAME(HILIC-POS)=0004_KAH_Portal_HP-CP8; RAW_FILE_NAME(C18-NEG)=0004_KAH_Portal_CN-CP8; RAW_FILE_NAME(HILIC-NEG)=0004_KAH_Portal_HN_CP8
SUBJECT_SAMPLE_FACTORS           	-	CP9	Sample source:Cardiac Puncture | Strain:129 T | Injection order:15	RAW_FILE_NAME(C8-POS)=0013_KAH_Portal_CP-CP9; RAW_FILE_NAME(HILIC-POS)=0013_KAH_Portal_HP-CP9; RAW_FILE_NAME(C18-NEG)=0013_KAH_Portal_CN-CP9; RAW_FILE_NAME(HILIC-NEG)=0013_KAH_Portal_HN_CP9
SUBJECT_SAMPLE_FACTORS           	-	PV10	Sample source:Portal Vein | Strain:129 T | Injection order:30	RAW_FILE_NAME(C8-POS)=0024_KAH_Portal_CP-PV10; RAW_FILE_NAME(HILIC-POS)=0024_KAH_Portal_HP-PV10; RAW_FILE_NAME(C18-NEG)=0024_KAH_Portal_CN-PV10; RAW_FILE_NAME(HILIC-NEG)=0024_KAH_Portal_HN_PV10
SUBJECT_SAMPLE_FACTORS           	-	PV11	Sample source:Portal Vein | Strain:129 T | Injection order:31	RAW_FILE_NAME(C8-POS)=0025_KAH_Portal_CP-PV11; RAW_FILE_NAME(HILIC-POS)=0025_KAH_Portal_HP-PV11; RAW_FILE_NAME(C18-NEG)=0025_KAH_Portal_CN-PV11; RAW_FILE_NAME(HILIC-NEG)=0025_KAH_Portal_HN_PV11
SUBJECT_SAMPLE_FACTORS           	-	PV12	Sample source:Portal Vein | Strain:129 T | Injection order:36	RAW_FILE_NAME(C8-POS)=0030_KAH_Portal_CP-PV12; RAW_FILE_NAME(HILIC-POS)=0030_KAH_Portal_HP-PV12; RAW_FILE_NAME(C18-NEG)=0030_KAH_Portal_CN-PV12; RAW_FILE_NAME(HILIC-NEG)=0030_KAH_Portal_HN_PV12
SUBJECT_SAMPLE_FACTORS           	-	PV7	Sample source:Portal Vein | Strain:129 T | Injection order:32	RAW_FILE_NAME(C8-POS)=0026_KAH_Portal_CP-PV7; RAW_FILE_NAME(HILIC-POS)=0026_KAH_Portal_HP-PV7; RAW_FILE_NAME(C18-NEG)=0026_KAH_Portal_CN-PV7; RAW_FILE_NAME(HILIC-NEG)=0026_KAH_Portal_HN_PV7
SUBJECT_SAMPLE_FACTORS           	-	PV8	Sample source:Portal Vein | Strain:129 T | Injection order:28	RAW_FILE_NAME(C8-POS)=0022_KAH_Portal_CP-PV8; RAW_FILE_NAME(HILIC-POS)=0022_KAH_Portal_HP-PV8; RAW_FILE_NAME(C18-NEG)=0022_KAH_Portal_CN-PV8; RAW_FILE_NAME(HILIC-NEG)=0022_KAH_Portal_HN_PV8
SUBJECT_SAMPLE_FACTORS           	-	PV9	Sample source:Portal Vein | Strain:129 T | Injection order:37	RAW_FILE_NAME(C8-POS)=0031_KAH_Portal_CP-PV9; RAW_FILE_NAME(HILIC-POS)=0031_KAH_Portal_HP-PV9; RAW_FILE_NAME(C18-NEG)=0031_KAH_Portal_CN-PV9; RAW_FILE_NAME(HILIC-NEG)=0031_KAH_Portal_HN_PV9
SUBJECT_SAMPLE_FACTORS           	-	CC1	Sample source:Cecal Contents | Strain:C57Bl6 | Injection order:63	RAW_FILE_NAME(C8-POS)=0053_KAH_Portal_CP-CC1; RAW_FILE_NAME(HILIC-POS)=0053_KAH_Portal_HP-CC1; RAW_FILE_NAME(C18-NEG)=0053_KAH_Portal_CN-CC1; RAW_FILE_NAME(HILIC-NEG)=0053_KAH_Portal_HN_CC1
SUBJECT_SAMPLE_FACTORS           	-	CC2	Sample source:Cecal Contents | Strain:C57Bl6 | Injection order:49	RAW_FILE_NAME(C8-POS)=0039_KAH_Portal_CP-CC2; RAW_FILE_NAME(HILIC-POS)=0039_KAH_Portal_HP-CC2; RAW_FILE_NAME(C18-NEG)=0039_KAH_Portal_CN-CC2; RAW_FILE_NAME(HILIC-NEG)=0039_KAH_Portal_HN_CC2
SUBJECT_SAMPLE_FACTORS           	-	CC3	Sample source:Cecal Contents | Strain:C57Bl6 | Injection order:62	RAW_FILE_NAME(C8-POS)=0052_KAH_Portal_CP-CC3; RAW_FILE_NAME(HILIC-POS)=0052_KAH_Portal_HP-CC3; RAW_FILE_NAME(C18-NEG)=0052_KAH_Portal_CN-CC3; RAW_FILE_NAME(HILIC-NEG)=0052_KAH_Portal_HN_CC3
SUBJECT_SAMPLE_FACTORS           	-	CC4	Sample source:Cecal Contents | Strain:C57Bl6 | Injection order:48	RAW_FILE_NAME(C8-POS)=0038_KAH_Portal_CP-CC4; RAW_FILE_NAME(HILIC-POS)=0038_KAH_Portal_HP-CC4; RAW_FILE_NAME(C18-NEG)=0038_KAH_Portal_CN-CC4; RAW_FILE_NAME(HILIC-NEG)=0038_KAH_Portal_HN_CC4
SUBJECT_SAMPLE_FACTORS           	-	CC5	Sample source:Cecal Contents | Strain:C57Bl6 | Injection order:47	RAW_FILE_NAME(C8-POS)=0037_KAH_Portal_CP-CC5; RAW_FILE_NAME(HILIC-POS)=0037_KAH_Portal_HP-CC5; RAW_FILE_NAME(C18-NEG)=0037_KAH_Portal_CN-CC5; RAW_FILE_NAME(HILIC-NEG)=0037_KAH_Portal_HN_CC5
SUBJECT_SAMPLE_FACTORS           	-	CC6	Sample source:Cecal Contents | Strain:C57Bl6 | Injection order:60	RAW_FILE_NAME(C8-POS)=0050_KAH_Portal_CP-CC6; RAW_FILE_NAME(HILIC-POS)=0050_KAH_Portal_HP-CC6; RAW_FILE_NAME(C18-NEG)=0050_KAH_Portal_CN-CC6; RAW_FILE_NAME(HILIC-NEG)=0050_KAH_Portal_HN_CC6
SUBJECT_SAMPLE_FACTORS           	-	CP1	Sample source:Cardiac Puncture | Strain:C57Bl6 | Injection order:19	RAW_FILE_NAME(C8-POS)=0017_KAH_Portal_CP-CP1; RAW_FILE_NAME(HILIC-POS)=0017_KAH_Portal_HP-CP1; RAW_FILE_NAME(C18-NEG)=0017_KAH_Portal_CN-CP1; RAW_FILE_NAME(HILIC-NEG)=0017_KAH_Portal_HN_CP1
SUBJECT_SAMPLE_FACTORS           	-	CP2	Sample source:Cardiac Puncture | Strain:C57Bl6 | Injection order:5	RAW_FILE_NAME(C8-POS)=0003_KAH_Portal_CP-CP2; RAW_FILE_NAME(HILIC-POS)=0003_KAH_Portal_HP-CP2; RAW_FILE_NAME(C18-NEG)=0003_KAH_Portal_CN-CP2; RAW_FILE_NAME(HILIC-NEG)=0003_KAH_Portal_HN_CP2
SUBJECT_SAMPLE_FACTORS           	-	CP3	Sample source:Cardiac Puncture | Strain:C57Bl6 | Injection order:18	RAW_FILE_NAME(C8-POS)=0016_KAH_Portal_CP-CP3; RAW_FILE_NAME(HILIC-POS)=0016_KAH_Portal_HP-CP3; RAW_FILE_NAME(C18-NEG)=0016_KAH_Portal_CN-CP3; RAW_FILE_NAME(HILIC-NEG)=0016_KAH_Portal_HN_CP3
SUBJECT_SAMPLE_FACTORS           	-	CP4	Sample source:Cardiac Puncture | Strain:C57Bl6 | Injection order:4	RAW_FILE_NAME(C8-POS)=0002_KAH_Portal_CP-CP4; RAW_FILE_NAME(HILIC-POS)=0002_KAH_Portal_HP-CP4; RAW_FILE_NAME(C18-NEG)=0002_KAH_Portal_CN-CP4; RAW_FILE_NAME(HILIC-NEG)=0002_KAH_Portal_HN_CP4
SUBJECT_SAMPLE_FACTORS           	-	CP5	Sample source:Cardiac Puncture | Strain:C57Bl6 | Injection order:3	RAW_FILE_NAME(C8-POS)=0001_KAH_Portal_CP-CP5; RAW_FILE_NAME(HILIC-POS)=0001_KAH_Portal_HP-CP5; RAW_FILE_NAME(C18-NEG)=0001_KAH_Portal_CN-CP5; RAW_FILE_NAME(HILIC-NEG)=0001_KAH_Portal_HN_CP5
SUBJECT_SAMPLE_FACTORS           	-	CP6	Sample source:Cardiac Puncture | Strain:C57Bl6 | Injection order:16	RAW_FILE_NAME(C8-POS)=0014_KAH_Portal_CP-CP6; RAW_FILE_NAME(HILIC-POS)=0014_KAH_Portal_HP-CP6; RAW_FILE_NAME(C18-NEG)=0014_KAH_Portal_CN-CP6; RAW_FILE_NAME(HILIC-NEG)=0014_KAH_Portal_HN_CP6
SUBJECT_SAMPLE_FACTORS           	-	PV1	Sample source:Portal Vein | Strain:C57Bl6 | Injection order:41	RAW_FILE_NAME(C8-POS)=0035_KAH_Portal_CP-PV1; RAW_FILE_NAME(HILIC-POS)=0035_KAH_Portal_HP-PV1; RAW_FILE_NAME(C18-NEG)=0035_KAH_Portal_CN-PV1; RAW_FILE_NAME(HILIC-NEG)=0035_KAH_Portal_HN_PV1
SUBJECT_SAMPLE_FACTORS           	-	PV2	Sample source:Portal Vein | Strain:C57Bl6 | Injection order:27	RAW_FILE_NAME(C8-POS)=0021_KAH_Portal_CP-PV2; RAW_FILE_NAME(HILIC-POS)=0021_KAH_Portal_HP-PV2; RAW_FILE_NAME(C18-NEG)=0021_KAH_Portal_CN-PV2; RAW_FILE_NAME(HILIC-NEG)=0021_KAH_Portal_HN_PV2
SUBJECT_SAMPLE_FACTORS           	-	PV3	Sample source:Portal Vein | Strain:C57Bl6 | Injection order:40	RAW_FILE_NAME(C8-POS)=0034_KAH_Portal_CP-PV3; RAW_FILE_NAME(HILIC-POS)=0034_KAH_Portal_HP-PV3; RAW_FILE_NAME(C18-NEG)=0034_KAH_Portal_CN-PV3; RAW_FILE_NAME(HILIC-NEG)=0034_KAH_Portal_HN_PV3
SUBJECT_SAMPLE_FACTORS           	-	PV4	Sample source:Portal Vein | Strain:C57Bl6 | Injection order:26	RAW_FILE_NAME(C8-POS)=0020_KAH_Portal_CP-PV4; RAW_FILE_NAME(HILIC-POS)=0020_KAH_Portal_HP-PV4; RAW_FILE_NAME(C18-NEG)=0020_KAH_Portal_CN-PV4; RAW_FILE_NAME(HILIC-NEG)=0020_KAH_Portal_HN_PV4
SUBJECT_SAMPLE_FACTORS           	-	PV5	Sample source:Portal Vein | Strain:C57Bl6 | Injection order:25	RAW_FILE_NAME(C8-POS)=0019_KAH_Portal_CP-PV5; RAW_FILE_NAME(HILIC-POS)=0019_KAH_Portal_HP-PV5; RAW_FILE_NAME(C18-NEG)=0019_KAH_Portal_CN-PV5; RAW_FILE_NAME(HILIC-NEG)=0019_KAH_Portal_HN_PV5
SUBJECT_SAMPLE_FACTORS           	-	PV6	Sample source:Portal Vein | Strain:C57Bl6 | Injection order:38	RAW_FILE_NAME(C8-POS)=0032_KAH_Portal_CP-PV6; RAW_FILE_NAME(HILIC-POS)=0032_KAH_Portal_HP-PV6; RAW_FILE_NAME(C18-NEG)=0032_KAH_Portal_CN-PV6; RAW_FILE_NAME(HILIC-NEG)=0032_KAH_Portal_HN_PV6
#COLLECTION
CO:COLLECTION_SUMMARY            	At the end of the 12 week HFD diet, animals (n = 6) for each genotype were
CO:COLLECTION_SUMMARY            	fasted for 2 hours, anesthetized with Avertin (100 ul per 10 g of BW), after
CO:COLLECTION_SUMMARY            	which cecal contents and portal and cardiac blood were collected. All
CO:COLLECTION_SUMMARY            	experiments were approved by the IACUC of the Joslin Diabetes Center and were in
CO:COLLECTION_SUMMARY            	accordance with NIH guidelines.
CO:SAMPLE_TYPE                   	Blood (plasma), Cecal contents
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Animals were started on a high fat diet containing 60% fat by calories (HFD,
TR:TREATMENT_SUMMARY             	D12492, Research Diets). All mice continued these diets for 12 weeks. The
TR:TREATMENT_SUMMARY             	genotypes tested in this study were C57Bl/6J (B6J) and 129S1 (129J) from Jackson
TR:TREATMENT_SUMMARY             	Laboratory (Bar Harbor, ME), and 129S6 (129T) from Taconic Farms (Germantown,
TR:TREATMENT_SUMMARY             	NY). B6J mice from Jackson Laboratory are prone to developing obesity and
TR:TREATMENT_SUMMARY             	insulin resistance when fed a HFD, whereas 129J and 129T mice are metabolic
TR:TREATMENT_SUMMARY             	syndrome resistant. While genetically similar, the inclusion of 129J and 129T
TR:TREATMENT_SUMMARY             	mice from different vendors provides a rich microbiome diversity reference of
TR:TREATMENT_SUMMARY             	comparison in this study.
TR:ANIMAL_ENDP_EUTHANASIA        	Cardiac Puncture Plasma, Portal Vein Plasma, Cecal Contents
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Snap-frozen cecal samples were thawed on ice, and then aqueous homogenates were
SP:SAMPLEPREP_SUMMARY            	generated by homogenizing samples in 10 volumes of water (mg: µL) using a
SP:SAMPLEPREP_SUMMARY            	TissueLyser II (QIAGEN) bead mill set to two 2 min intervals at 20Hz. The
SP:SAMPLEPREP_SUMMARY            	homogenate for each sample was divided into two 10 µL and two 30 µL aliquots
SP:SAMPLEPREP_SUMMARY            	in 1.5mL centrifuge tubes for LC-MS sample preparation LC–MS samples were
SP:SAMPLEPREP_SUMMARY            	profiled in each LC-MS method as follows: - HILIC-pos: Cecal or plasma samples
SP:SAMPLEPREP_SUMMARY            	(10 μL) were extracted with the addition of nine volumes of 74.9:24.9:0.2 v/v/v
SP:SAMPLEPREP_SUMMARY            	acetonitrile/methanol/formic acid containing stable isotope-labeled internal
SP:SAMPLEPREP_SUMMARY            	standards (valine-d8, Isotec; and phenylalanine-d8, Cambridge Isotope
SP:SAMPLEPREP_SUMMARY            	Laboratories). The samples were centrifuged (10 min, 9,000g, 4°C), and the
SP:SAMPLEPREP_SUMMARY            	supernatants (10 μL) injected directly onto column. - C8-pos: Samples (10 μL)
SP:SAMPLEPREP_SUMMARY            	were extracted using 190 μL isopropanol containing
SP:SAMPLEPREP_SUMMARY            	1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphocholine as an internal standard
SP:SAMPLEPREP_SUMMARY            	(Avanti Polar Lipids; Alabaster, AL). After centrifugation (10 min, 9,000g,
SP:SAMPLEPREP_SUMMARY            	ambient temperature), supernatants (2 μL) were injected directly onto column. -
SP:SAMPLEPREP_SUMMARY            	C18-neg: Samples (30 μL) were extracted using 90 μl methanol containing
SP:SAMPLEPREP_SUMMARY            	15R-15-methyl Prostaglandin A2,15R-15-methyl Prostaglandin F2α, 15S-15-methyl
SP:SAMPLEPREP_SUMMARY            	Prostaglandin D2, 15S-15-methyl Prostaglandin E1, and 15S-15-methyl
SP:SAMPLEPREP_SUMMARY            	Prostaglandin E2 as internal standards (Cayman Chemical Co.) and centrifuged (10
SP:SAMPLEPREP_SUMMARY            	min, 9,000g, 4°C). The supernatants (10 μL) were injected onto column. -
SP:SAMPLEPREP_SUMMARY            	HILIC-neg: Samples (30 μL) were extracted with the addition of four volumes of
SP:SAMPLEPREP_SUMMARY            	80% methanol containing inosine-15N4, thymine-d4 and glycocholate-d4 internal
SP:SAMPLEPREP_SUMMARY            	standards (Cambridge Isotope Laboratories). The samples were centrifuged (10
SP:SAMPLEPREP_SUMMARY            	min, 9,000g, 4°C) and the supernatants 10 μL) were injected directly onto
SP:SAMPLEPREP_SUMMARY            	column.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Shimadzu Nexera X2
CH:COLUMN_NAME                   	Water Atlantis HILIC (150 x 2.1 mm x 3 um)
CH:SOLVENT_A                     	100% Water; 10 mM Ammonium formate; 0.1% Formic acid
CH:SOLVENT_B                     	100% Acetonitrile; 0.1% Formic acid
CH:FLOW_GRADIENT                 	Chromatographic separation was performed using an isocratic elution at a flow
CH:FLOW_GRADIENT                 	rate of 250 μL/min with 5% mobile phase A (10 mM ammonium formate and 0.1%
CH:FLOW_GRADIENT                 	formic acid in water) for 1 minute. This was followed by a linear gradient to
CH:FLOW_GRADIENT                 	40% mobile phase B (acetonitrile with 0.1% formic acid) over 10 minutes. At 10
CH:FLOW_GRADIENT                 	minutes, the gradient was returned to initial isocratic conditions (5% mobile
CH:FLOW_GRADIENT                 	phase A) and held until 18 minutes, at which point MS acquisition was stopped.
CH:FLOW_GRADIENT                 	The column was equilibrated with 5% mobile phase A at a flow rate of
CH:FLOW_GRADIENT                 	400 μL/min for 12 minutes, followed by a reduction to the initial flow rate
CH:FLOW_GRADIENT                 	of 250 μL/min for 2 minutes before the next injection.
CH:FLOW_RATE                     	250 µL/min - 400 μL/min
CH:COLUMN_TEMPERATURE            	30°C
CH:INTERNAL_STANDARD             	L-Phenylalanine-d8 (CIL, DLM-372-1), L-Valine-d8 (Sigma, 486027)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive HF hybrid Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Raw data were processed using TraceFinder 3.3 software (Thermo Fisher
MS:MS_COMMENTS                   	Scientific; Waltham, MA) and Progenesis QI (Nonlinear Dynamics; Newcastle upon
MS:MS_COMMENTS                   	Tyne, UK). Metabolite identities were confirmed using authentic reference
MS:MS_COMMENTS                   	standards or reference samples.
MS:MS_RESULTS_FILE               	ST004132_AN006846_Results.txt	UNITS:Abudances	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Abudances
MS_METABOLITE_DATA_START
Samples	CC1	CC2	CC3	CC4	CC5	CC6	CC7	CC8	CC9	CC10	CC11	CC12	CC13	CC14	CC15	CC16	CC17	CC18	CP1	CP2	CP3	CP4	CP5	CP6	CP7	CP8	CP9	CP10	CP11	CP12	CP13	CP14	CP15	CP16	CP17	CP18	PV1	PV2	PV3	PV4	PV5	PV6	PV7	PV8	PV9	PV10	PV11	PV12	PV13	PV14	PV15	PV16	PV17	PV18
Factors	Sample source:Cecal Contents | Strain:C57Bl6 | Injection order:63	Sample source:Cecal Contents | Strain:C57Bl6 | Injection order:49	Sample source:Cecal Contents | Strain:C57Bl6 | Injection order:62	Sample source:Cecal Contents | Strain:C57Bl6 | Injection order:48	Sample source:Cecal Contents | Strain:C57Bl6 | Injection order:47	Sample source:Cecal Contents | Strain:C57Bl6 | Injection order:60	Sample source:Cecal Contents | Strain:129 T | Injection order:54	Sample source:Cecal Contents | Strain:129 T | Injection order:50	Sample source:Cecal Contents | Strain:129 T | Injection order:59	Sample source:Cecal Contents | Strain:129 T | Injection order:52	Sample source:Cecal Contents | Strain:129 T | Injection order:53	Sample source:Cecal Contents | Strain:129 T | Injection order:58	Sample source:Cecal Contents | Strain:129 J | Injection order:64	Sample source:Cecal Contents | Strain:129 J | Injection order:55	Sample source:Cecal Contents | Strain:129 J | Injection order:51	Sample source:Cecal Contents | Strain:129 J | Injection order:61	Sample source:Cecal Contents | Strain:129 J | Injection order:56	Sample source:Cecal Contents | Strain:129 J | Injection order:57	Sample source:Cardiac Puncture | Strain:C57Bl6 | Injection order:19	Sample source:Cardiac Puncture | Strain:C57Bl6 | Injection order:5	Sample source:Cardiac Puncture | Strain:C57Bl6 | Injection order:18	Sample source:Cardiac Puncture | Strain:C57Bl6 | Injection order:4	Sample source:Cardiac Puncture | Strain:C57Bl6 | Injection order:3	Sample source:Cardiac Puncture | Strain:C57Bl6 | Injection order:16	Sample source:Cardiac Puncture | Strain:129 T | Injection order:10	Sample source:Cardiac Puncture | Strain:129 T | Injection order:6	Sample source:Cardiac Puncture | Strain:129 T | Injection order:15	Sample source:Cardiac Puncture | Strain:129 T | Injection order:8	Sample source:Cardiac Puncture | Strain:129 T | Injection order:9	Sample source:Cardiac Puncture | Strain:129 T | Injection order:14	Sample source:Cardiac Puncture | Strain:129 J | Injection order:20	Sample source:Cardiac Puncture | Strain:129 J | Injection order:11	Sample source:Cardiac Puncture | Strain:129 J | Injection order:7	Sample source:Cardiac Puncture | Strain:129 J | Injection order:17	Sample source:Cardiac Puncture | Strain:129 J | Injection order:12	Sample source:Cardiac Puncture | Strain:129 J | Injection order:13	Sample source:Portal Vein | Strain:C57Bl6 | Injection order:41	Sample source:Portal Vein | Strain:C57Bl6 | Injection order:27	Sample source:Portal Vein | Strain:C57Bl6 | Injection order:40	Sample source:Portal Vein | Strain:C57Bl6 | Injection order:26	Sample source:Portal Vein | Strain:C57Bl6 | Injection order:25	Sample source:Portal Vein | Strain:C57Bl6 | Injection order:38	Sample source:Portal Vein | Strain:129 T | Injection order:32	Sample source:Portal Vein | Strain:129 T | Injection order:28	Sample source:Portal Vein | Strain:129 T | Injection order:37	Sample source:Portal Vein | Strain:129 T | Injection order:30	Sample source:Portal Vein | Strain:129 T | Injection order:31	Sample source:Portal Vein | Strain:129 T | Injection order:36	Sample source:Portal Vein | Strain:129 J | Injection order:42	Sample source:Portal Vein | Strain:129 J | Injection order:33	Sample source:Portal Vein | Strain:129 J | Injection order:29	Sample source:Portal Vein | Strain:129 J | Injection order:39	Sample source:Portal Vein | Strain:129 J | Injection order:34	Sample source:Portal Vein | Strain:129 J | Injection order:35
phenylalanine-d8 [iSTD]	1785542	1735095	1724141	1758325	1606748	1679940	1734774	1848029	1765580	1689208	1792768	1706122	1794634	1666139	1882215	1845806	1788513	1699741	1134136	1266252	1259779	1494380	1533604	1399351	1377398	1473120	1366339	1279967	1445612	1257993	1124682	1330788	1442941	1313752	1264170	1342252	1113729	1234393	1174642	1332791	1287315	1382746	1358892	1262061	1360280	1355480	1342247	1322764	979931	1252496	1320024	1373167	1330921	1295180
valine-d8 [iSTD]	624107	624107	624107	624107	624107	624107	624107	624107	624107	624107	624107	624107	624107	624107	624107	624107	624107	624107	449895	453274	471449	474546	469513	440115	479142	484334	429365	475104	481477	438304	469645	484583	478187	468761	468016	463328	443218	443790	470860	459771	461017	429635	468813	460017	446663	455475	459698	450203	454005	483631	450366	463084	473839	469919
1-Methyladenosine	10155	14788	14438	11585	4269	7780	16980	14658	28979	14619	17073	23257	76125	23355	43508	27097	30397	55438	2528	10014	4403	23091	14141	20462	47060	32050	39680	56975	31506	28048	20249	7596	36397	23863	23801	21591	737	7849		14766	6804	19690	33110	23533	29576	54424	24273	21336	12913	4272	34192	13317	15873	19407
1-Methylguanosine	247855	174628	19293	198652	33406	17160	56250	35740	75886	567	76228	25636	40992	53403	21995	20297	31035	67406	82826	98184	96452	179488	203910	138628	191858	122904	110891	102824	147675	107153	102818	64148	129521	70340	93252	55051	51153	63886	87701	86928	114908	117722	103940	76409	93925	115565	100877	105684	45899	69343	49532	69099	121109	87824
1-Methylhistamine	10078	8031	6187	15747	9197	14208	17570	4947	10549	5089	6216	6806	50882	36282	74650	10821	10743	4780	158717	202815	301885	224842	194263	163498	162091	147939	90906	208967	124163	81485	199169	92653	76821	143089	100616	85877	232913	149837	211916	194308	146504	142988	176343	138822	110175	99151	93611	65987	180091	58306	61158	156203	86347	49258
1-Methyl nicotinamide	18788	519	2546	62701	976	4842	691	462	1698	1262	2554	1158	6505	554601	2345	1104	1070	858	585980	562869	619281	570740	583543	594499	367870	352530	248282	515152	290788	249110	421886	148932	224408	219692	255038	213469	420811	449281	494371	453153	522719	610215	247745	293916	216323	388888	226374	201868	419320	131665	176378	206824	242295	210412
Aminoisobutyric acid	2529341	2536168	1692692	2561726	1034194	2223649	5739190	4142383	2494696	6231660	6202570	3008510	1426901	1609974	963992	1436523	1234597	6014584	3477670	3875967	4779257	5007711	4650352	3453256	2417828	2050246	2351627	1820673	1876179	2288701	2257897	1872933	2823190	2394801	2473761	2919885	3153704	3569733	5075204	4702425	4387691	3395831	1971328	1925999	2410859	1702470	1634210	1785569	2004283	1622661	2612659	2722379	2305245	2685399
Deoxycytidine	135252	195596	103469	85908	35334	94983	367883	154434	320589	170065	203697	212562	189955	50370	58229	178712	134586	33763	333503	452147	327022	536877	494075	385560	398559	407531	364229	422648	429339	311164	295662	273016	353239	292067	379791	322945	216896	277412	213716	295220	282513	245026	261813	225529	227970	228943	227281	187595	184465	168505	227590	114052	228981	213759
4-Acetamidobutanoic acid	3574	3315	4693	8572	7190	4014	6471	6579	13452	11320	8145	20414	22906	9000	19437	16249	9708	21167	9820	15547	14164	19660	17095	23178	18769	12574	19593	24959	16643	17028	11213	6274	15153	8516	12848	13567	8355	13022	12229	19596	20728	22146	12543	12020	13787	23223	13637	14939	10411	7689	12910	9449	12398	9421
5-Methylcytidine	17808	17445	12517	11108	6190	16791	16396	9277	22400	3857	5731	22364	25568	18948	18441	20701	31907	24049	54741	106677	61021	106568	135496	76563	118954	155407	92115	133493	149017	106193	103470	91619	120265	85467	111985	93056	32648	51985	36480	50948	60788	51141	67367	66813	51932	74021	68223	64818	66021	51111	65995	29854	63436	51624
7-Methylguanine	1322429	1214365	48865	1115161	431537	1012209	125363	114192	110007	55604	169397	87094	159935	756170	21475	43308	36864	58912	140803	297686	165392	360837	350495	171426	223568	253266	143498	284377	216830	137563	158126	91181	169348	133956	130180	95757	63770	120379	79975	162135	163734	98094	116249	100249	64612	98598	88539	72915	61400	56726	72197	71637	69551	46559
Acetylcholine	8764	38029	19070	23662	90502	52836	120007	153671	83345	78744	112891	48324	114548	55764	56941	28326	39944	37282	1005	2220	1691	2575	1732	1328	541	1103	725	942	659	408	573	1027	873	1386	853	474	2923	1566	1663	1549	1135	730	1109	829	305	287	516	528	758	718	635	535	322	615
N-Acetyl-D-galactosamine	3945820	6018801	3353255	5117621	3073686	4664791	20197644	13440729	9218046	10025591	18494089	3888586	3071967	1818890	1975536	2184876	2053049	5735857	82565	80141	116820	118557	94187	80773	84258	55355	36950	98586	70917	46714	100055	34993	44836	51896	40486	50916	160954	110134	220152	127127	88373	154659	172904	78393	80525	180665	97669	111457	160395	68134	89205	118053	94992	104250
Acisoga	2393	2746	2946	2844	1882	3063	13920	13032	18575	9105	10482	10183	16128	19327	33175	20187	12523	7973	29731	21851	39200	26118	22924	23024	101888	116153	94806	99768	89919	66317	72706	108820	83217	88268	73310	79338	45099	36807	53752	37759	33602	33202	135680	137498	130389	145544	108937	92070	92446	146943	110125	99653	109370	115235
Adenosine	133756	99401	49354	157030	13837	4759	76911	66785	73741	1191	125108	35795	206524	22234	33737	27504	46674	16360	90237	82502	128844	83188	93252	45620	40482	27769	29656	32679	41450	31103	48601	37394	50600	32155	36325	32465	94847	31620	69927	128506	293320	29029	75340	34915	58013	13520	27192	37302	19887	24959	44136	28964	22751	44238
Dimethylarginine	74138918	73850586	67147332	56835484	19429315	29340669	59734249	14599639	12787847	15881715	25277035	27956703	12186591	8258743	9754006	16899700	25059195	15130773	69917209	122376975	108547072	155508448	155177819	73100017	108634498	124205637	51488059	133161895	125235993	67053939	89183561	57390804	105687273	69878440	75379302	49914711	76171920	91924946	112746532	98508032	83125918	110336935	104168058	73208945	88499089	79200355	103176418	83298330	63891745	66053958	73827848	86705208	96783801	102944013
Ala-Ala	164281	129986	110732	197515	78185	103745	248266	125541	72727	69981	91001	76998	152401	90004	131830	119320	202472	191636	15777	16209	18616	24845	23494	24305	16105	20389	26131	29294	15324	15901	13880	8876	41790	11065	18609	11889	11063	12089	10300	10893	11221	10147	6218	4821	10167	7021	7840	5118	6064	4419	11221	5672	5217	4474
Alanine	667205	522059	473359	439553	199518	329138	706477	372482	335974	368190	480426	465032	380249	204267	279387	396805	345394	488256	852192	750920	963458	868751	728838	547736	894998	617130	548221	637635	562407	681032	851021	593253	759928	831047	583684	472162	1017371	867332	1180733	1104003	862296	619616	1144815	750992	711360	842263	666665	953382	1129249	922202	950330	1164059	814571	826801
sn-Glycero-3-phosphocholine	16436034	2055981	13086618	5102074	1748710	245380	86785	23956	32277	29872	29368	53091	1184122	479236	556707	521592	2235288	94109	4737129	3083263	3724882	3711396	2623298	2917594	2198137	3678507	2153033	3058243	3795905	2768172	2561248	5462912	1451841	3549821	3192086	4988026	2420497	2907451	2904606	4565908	2007584	3398177	1254477	2550755	1166987	2251353	3881746	870588	1787427	1936657	960330	1811788	3385144	1442032
Anserine	11765	16302	8414	11190	10181	13532	5993	607	60	242	849	878	2728	1502	2594	1747	2480	2695	207299	208323	186529	322782	254765	177681	170480	87656	47656	69970	151356	59715	91565	138344	74344	75464	76009	76617	182112	186337	168542	253101	227074	147210	205226	86211	60921	57475	123120	59068	93528	114602	64715	77082	59490	71390
2-Aminobenzoic acid	5413	6314	3100	2334	4664	6637	7920	3409	17753	13831	6783	4210	21747	2394	27508	12795	7898	5991	2915	2644	3061	3703	2273	2549	4600	4292	3150	4019	4082	2951	3842	3135	3182	4999	3528	3047	3087	2813	2725	2800	2201	2309	4646	4314	3237	4298	3735	2776	3480	3718	3029	3667	3155	2924
Arginine	17750255	13365268	11624029	3619494	1298756	5633669	6473590	3833729	337153	1175781	1826844	1779378	7374618	1856389	1735546	961557	3404425	474927	3657030	4140935	2297834	6107552	3129080	2974742	4237886	3895692	2529080	3111381	4648564	3301481	3744931	5489691	4217513	3199485	3099795	1978888	3944054	2552528	2744082	4577903	2108846	2359646	5367219	2882533	4065639	1679181	3541472	4431037	3213101	4494425	3686733	5352894	3989332	3802496
Asparagine	388201	262226	256877	147349	103566	178385	285557	172543	88070	137005	172950	228664	199949	97133	115956	220749	181093	217575	217283	188738	251711	297735	215079	150304	221972	193689	137709	178616	169663	172312	188484	171295	183508	234023	151790	163627	319165	235592	334338	440279	243008	208369	341559	228110	217838	272007	205914	292199	268479	349779	262295	433657	243740	393310
Betaine	3172914	1820072	2748178	2641535	1632820	1466419	3322830	2032391	1814119	2074325	2064649	2330144	2416722	1751949	1997125	1983472	2423920	1855441	34697684	30156564	40392180	35014373	34594361	34656924	38476388	33647234	33411450	36792848	32537969	40866788	39195133	38426638	32720119	35932143	42948410	54881108	31740707	29704052	41869214	34744581	34742297	33736532	40461644	33832878	33047106	32722097	32300362	41600925	37413042	41261584	33007609	37468327	43103745	39644126
3-Dehydroxycarnitine	10477759	17627835	16845950	8968730	16994232	20049654	28937374	24176008	27075895	28639032	23915511	30694538	8115914	4569822	14733652	10640568	8520389	13741838	629975	645200	647435	610186	547328	741254	825904	815899	752637	945448	854876	887859	892242	1037464	948406	906380	853227	988283	814891	809049	920086	759106	723737	842047	1130079	908243	943962	964605	961700	1127571	1028399	1200563	1155033	987825	1047147	927203
Carnitine	2380235	1848970	2064928	2128085	620152	686317	4939558	1993459	2647780	1680764	1408390	2264695	1340650	552908	1434089	1561477	1829418	1871249	41199879	36421317	46844266	29948257	38010527	35228310	33159293	31613583	31913713	38748786	31432978	36629920	40934133	46236814	39166262	36342557	32531147	34061393	36233619	35883872	49132454	28796026	39177329	35406048	36225536	32926907	31434836	34241134	31329364	35723481	39530293	43853691	39392308	35165084	32076880	26989271
CAR(2:0)	1455901	779637	1209298	1767937	267309	172688	2499033	384937	536470	482337	332502	517680	1065906	460024	799350	1071167	1261185	560597	35588659	26915635	37739451	23403952	31728366	34041448	29129413	26318211	33056344	29508364	32016617	35073483	38304386	31509308	40733385	34213363	35734225	36052282	29943280	25322631	35742949	23615255	29713620	34510817	34048083	27112650	40661657	34445173	33486057	42381141	40439950	33162823	45121043	35696164	44474415	37375399
CAR(3:0)	600312	140556	404311	628919	119950	18916	182943	38317	13617	46571	31284	21980	224077	61981	25505	285112	664432	22519	826396	500239	630861	397212	501938	630844	481698	391851	515857	514483	456892	558624	611326	488395	662160	573063	527541	563743	395353	312604	428831	264787	358097	388443	435119	352816	439311	457465	402672	555393	515059	501120	656545	382397	518865	469538
CAR(DC3:0)	11343	10629	8823	4844	9740	13206	13603	7784	19222	10175	11597	11964	59108	11305	19999	24955	29765	7949	15825	19607	23681	19158	17298	39935	24875	15674	10060	83280	16016	16317	33583	11448	12209	17998	15950	17362	11464	13955	16825	14717	13555	22261	18037	11521	7574	48600	10356	10101	25901	7654	8437	11399	8885	8511
CAR(DC3:0(2Me))	18006	13816	10448	5795	16344	21967	3086	1225	285	6433	3822	2232	40473	14554	3233	12878	20025	11017	102226	156436	170603	151295	133452	115047	211138	163102	79654	304318	178490	119788	338329	128912	100173	202066	197525	136387	96005	98092	73333	86698	75689	64495	185872	104108	44591	160473	118903	66721	220783	61513	63388	80026	99826	85944
CAR(4:0)	1228508	121697	482647	974364	115619	31744	513116	139137	59406	153765	164118	27032	647099	84949	42660	283775	368415	93265	1112825	703731	1426425	578405	769508	978081	539203	502045	512089	723063	537331	567602	698305	512984	603716	617136	566735	588340	619285	539984	939026	506486	554206	547932	585435	463391	513249	677747	506440	661298	715624	569172	610325	555966	611067	490986
CAR(4:0(OH))	89059	49267	85905	148858	12387	8388	186724	32769	45921	41298	25792	58854	76129	22227	46555	58161	94304	19555	248311	252070	252095	228461	276945	574388	427897	350430	683202	1054278	472727	678985	677920	328641	630224	488597	838750	762369	192252	262100	259529	219625	268301	473649	419256	303569	563166	733564	435049	586202	719845	319096	565959	494006	650283	540602
CAR(5:0)	639734	86703	265275	291303	41837	11396	150279	46976	12951	42460	23077	18384	276313	71415	27285	278427	515798	36602	98332	90795	136752	85290	96962	102396	390754	217341	239022	464371	268357	276976	469686	204846	307008	323155	257167	320838	97720	103990	170991	115111	111704	106587	421270	246195	268527	456720	260061	334766	587728	271505	390124	365120	298035	367833
CAR(DC5:0)	70369	41444	22299	34952	73711	82896	7300	2189	124	30641	45544		209155	52688	17807	138909	306419	117253	81981	87635	144046	89076	84051	78318	79162	148907	67747	115868	136714	79490	80977	35190	67149	129182	130756	105354	38730	71151	91265	49604	57692	49468	44486	65517	41296	62956	89778	41887	48336	16847	37974	51249	62789	47966
CAR(14:0)	260192	24528	75783	58140	37472	31267	44394	20643	20458	19298	44922	11342	101579	10709	8425	33572	100145	33669	237826	280336	289520	213313	265794	265462	139712	158553	163308	218726	169722	182794	236418	158603	164833	167272	205995	208182	216596	275091	280826	208125	290065	253638	146197	174728	160752	192250	160160	201660	223925	166044	190236	151222	219724	205104
CAR(16:0)	1591724	355891	1098140	656209	649750	496158	472789	235330	286674	169780	289638	254390	435153	159447	82994	200135	342419	317969	748865	814805	941654	745327	863756	948875	525589	582921	642497	723138	580016	637247	655564	508573	619300	548573	700110	832640	921093	926405	1049540	801114	994063	1046479	606458	671838	771823	736507	618116	703528	792163	577586	681324	729213	779416	833793
CAR(16:0(OH))	29629	9397	6834	10874	2591	5781	35566	20569	24990	57597	43087	32852	234381	7693	3435	208957	215184	213127	35452	37182	44091	29731	43989	38648	15286	18098	22393	24295	21090	21887	29307	20089	20140	22882	38576	28580	33673	39892	37271	27864	46792	35950	16301	21048	22058	19430	18880	22877	26647	18741	24711	25648	31235	27964
CAR(18:0)	1388987	688497	1180827	886999	1104492	772140	698648	474442	272421	268951	322521	219711	1089719	497484	135797	597510	569396	500764	102034	105895	103314	95879	108989	118649	130996	148111	114630	150541	128486	145749	144810	105266	110950	104545	128645	140501	118745	123410	106809	89690	125484	129708	124012	141476	117394	147306	108813	138680	116249	106433	114585	88666	116447	123540
CAR(18:1)	1205779	278799	832147	493758	582700	385858	271714	157589	215463	88232	172156	135834	285452	100314	48011	193367	243615	270224	426093	481369	620415	495862	536777	661140	278042	286164	438303	396598	295199	385633	360079	269954	429258	317429	425774	543855	428652	515323	668869	528395	552251	693830	293608	285948	402049	389995	279671	422769	367590	312026	456922	369036	443101	535423
CAR(18:1(OH))	62316	7171	9798	12810	5463	11438	42743	24334	38511	73848	65048	39680	170633	5088	4069	173744	443308	196432	96181	91357	133141	82172	103278	88760	37838	42090	56806	48610	47143	56231	62323	48770	54856	65663	86315	72147	95201	99363	124262	81559	100886	85227	34798	42582	55406	40648	43178	57907	68926	50811	59906	69904	79118	74739
CAR(18:2)	314280	22229	63493	73608	57097	53102	21388	6864	8534	15263	17404	6240	57895	12465	1561	35679	46679	14958	111949	151275	163376	139988	166644	223495	119967	139145	185157	199941	138205	167836	119364	107508	167438	144599	194641	237096	164992	181275	191008	141895	175976	251768	136008	141193	206627	184297	136641	203408	187255	116571	170420	212720	213474	218470
Choline	27604280	18177097	26272538	19038303	7655358	3483722	28342018	11259142	10826776	7645450	10277824	18365643	12681185	4577950	7258203	10134143	12846780	4886104	8226485	8343518	10650387	9604299	9289210	10663686	12811960	11395436	8872722	13719968	10902799	9724388	12491081	8677230	8337981	11552994	11473027	9093384	16806655	13268208	19262954	16264047	14156671	12194166	18874978	13019479	13935153	17311576	13486989	16585201	18137557	16712869	13674308	15764903	15048796	16397153
Citrulline	543564	774761	1306517	2456104	1409159	1056053	2471986	1020143	1373854	1326959	1372577	1667527	994542	495070	1549171	2514029	1863608	1957054	597639	719717	766673	788849	627661	567248	583153	747837	453489	671435	518429	453063	497714	464436	530199	486952	385382	424286	849909	889286	921855	1009906	793523	685425	748762	597530	614883	784696	631808	607207	607606	755623	629950	599034	498390	692834
Cotinine N-oxide	2265	15982	3014	12092	16206	20209	15537	14974	25724	24698	18801	7521	53570	19506	63851	14823	6672	13754	20684	38998	6584	49211	13080	8825	30366	75111	71712	102364	102288	14064	44825	250313	69985	99940	133252	45874	283869	30963	7578	164592	83133	7258	87037	49414	140151	16477	24810	38249	38974	28694	35344	81023	17208	13702
Creatine	4541862	4062763	4601879	5125954	1756797	1132900	6544766	2371319	3153109	1895180	3392522	15832089	2922227	1840760	2955421	3672612	3607337	13900457	12694273	11388708	26544059	17707446	11394465	12660331	19759443	13929977	12368788	13441432	14535637	13182966	14384360	13774334	18060713	11918584	12699408	11735194	9706902	8462712	22225858	10669558	8097007	8810562	15184163	7420808	9631363	7925652	10263010	9316262	10912614	9506152	11885644	8963288	8218363	8506534
Creatinine	526469	273004	236414	201264	54919	433058	620226	202222	205571	221683	658271	8420324	157868	2693119	273123	189405	215481	3229657	2462787	3139173	4194768	3394451	3057612	3156000	3298228	3059403	2762302	3137153	2754446	2709953	3221199	2036790	2675137	2834548	2244430	2111820	1502846	2945552	3802553	2923896	2733036	2775802	3074612	2663711	2417368	2668622	2406849	2507720	1900155	1992063	2587799	1103370	2062059	1828495
Cyclohexylamine	14900	11556	13569	18558	14483	13718	14528	17004	14221	14684	16050	10753	22480	14358	16828	13842	13438	12299	11703	12292	11062	12583	12703	11693	11728	12729	11883	11450	11969	11489	12179	12685	12282	12843	12182	11951	20325	18021	21082	17814	18343	20940	21765	19188	21597	18589	18765	20655	19241	18745	19078	16327	19600	20483
Cytosine	760320	813587	721301	650441	502921	390229	736097	629311	928314	334402	566200	711865	1018651	374404	624656	735384	615264	413780	395219	716241	414783	848608	981504	522572	799386	976141	572376	1147285	821390	667836	701540	600906	912591	626993	788279	708072	117233	212968	126296	257817	367233	198702	318439	263141	186697	413307	261554	285591	254244	238324	288788	274325	410887	283866
Dimethylglycine	8813	7914	8480	9082	9462	8289	11751	10422	11379	12083	10978	12704	15910	9766	10833	10555	9949	9654	355455	597723	615807	672245	657943	766914	1105935	1120526	820272	1171967	890268	897740	638167	468420	1033790	546988	835784	960981	322040	361954	430337	447090	395667	458209	747176	523952	551985	587314	568414	530227	425579	324147	522631	359495	454673	562264
DMGV	2462615	1141357	634989	1348279	909018	2660879	3024385	3421145	5075437	3455443	10612961	5143264	6895969	3742852	13866308	1678035	1217993	6359408	9886582	17865244	16628182	20962060	21872637	21662184	25076898	25617964	21486730	31082527	21278275	19729112	22994981	8561176	26652900	15794680	20378724	19148225	7699154	15212217	15274309	19434280	18126799	19482663	22670315	21685367	20035347	28841377	20513677	18121756	20253110	8195302	25006468	15143886	17777826	16004343
Ectoine	4582	8437	16964	9395	4553	4292	4241	5204	4403	5091	4634	63417	5335	4202	3975	5137	5037	14512	2562	6830	6813	7404	2964	5485	3496	2937	3011	4094	3056	12906	2590	2686	3169	3475	2588	7000	3211	6802	7113	7471	3040	6028	3264	2462	3222	3806	2584	11434	3168	2684	3043	3474	2532	4128
gamma-Aminobutyric acid	8218210	2472447	5053864	6544693	1441645	1021382	7993657	1884374	9482859	4486267	2680767	28177458	4017274	906977	4222460	4291004	3332642	10077411	685022	675136	13561786	567483	450902	502561	1038186	543440	856712	1104971	736024	912146	1352048	871137	664609	942950	673564	2757800	1099154	876324	29512657	726649	669553	670891	1705194	794437	961371	1259943	888956	955003	3652939	1265932	1127814	1543267	1019904	8295681
Glutamic acid	1131547	1119655	1456368	1061934	772578	1244960	5103792	2616702	3969740	2407416	3007709	4815331	1996985	364861	2261924	2388475	1287591	2865388	70804	57424	114240	72603	68598	71410	59290	51234	59621	88701	75277	63858	67677	105159	66332	107303	93611	115126	204264	152947	226470	191861	159724	152552	172242	117389	136391	161144	145098	154075	252380	191552	130371	278572	201719	195075
Glutamine	2063076	1497037	1458578	1180785	520645	898522	1250240	366824	447301	559180	569690	741344	917609	426447	872918	1235234	1056604	1335036	10390058	11762459	10969359	14704978	14350726	12000687	11915826	13861056	10093599	14048629	11260132	10577359	11666631	8788435	13150765	9764175	12234187	11324919	5863983	6633563	6090514	7296489	7329208	5945528	5398821	5224268	4377724	4066695	5844244	4117031	5459937	4144585	5178651	4992950	4722354	5052751
Glycine	42651	30066	35910	27878	13837	22916	43553	25928	25474	24943	24260	40282	19381	8712	19170	25575	18783	45359	57339	62912	77490	64551	70885	67180	85648	62582	60854	68662	76660	67362	54066	45078	70103	68981	52384	55746	68481	68956	96021	82069	74176	67550	112605	62848	76966	65949	75746	80818	74966	62898	77777	86504	52133	70786
Histamine	6103	6390	4797	4117	6106	6229	26017	7612	7294	5735	5576	5972	48197	9333	14329	15049	6225	6941	11112	33719	28902	36608	43041	31393	36356	31674	22739	51146	39589	22725	32506	24497	23629	21358	26010	26014	23865	53262	49538	66612	64428	76177	92026	85115	137015	50165	52642	74447	109522	21029	42277	139876	80304	22395
Histidine	29460335	38423563	36084552	34215786	19278604	29477600	60156116	22624670	22489830	14853103	28800861	36303458	47240896	18717414	23001147	35780649	36034748	36978765	323183167	437588984	520958217	574886968	596394229	355390413	345622364	489888271	182747975	554989627	466911668	303013872	380826237	311524256	436611488	391668124	337274092	348385230	261762522	348556939	535848813	422720929	337629264	258304324	439162284	278835993	265129775	214472168	314896070	317131122	241249270	286747314	337043744	313104623	339340001	454515583
Hydroxyproline	6242	5867	5054	5989	2163	1951	5930	2236	2896	1927	2078	3971	2780	1667	4663	2900	3270	1333	182660	193186	175837	260317	198368	144619	159134	137855	121348	143980	147930	127634	119306	127299	206155	135868	121417	117575	147584	156913	145903	190407	147681	133535	118250	96767	111437	93870	117232	108038	98694	103899	164811	126703	101601	88433
Hypotaurine	16319	3658	6675	21984	1355	140	2679	242	1870	743	552	623	3152	489	1997	2055	1051	339	8243	6646	26029	6109	9508	5303	4060	1483	2028	1724	2407	1948	2065	3251	2177	304	2356	3693	4910	4581	44314	6813	7984	4002	106	339	331	2751	1454	3077	449	618	4687	676	2776	3339
Imidazolepropionic acid	2024010	141598	27457	8374668	122756	3111163	10613680	13445018	767241	912498	8254440	2218381	14571938	3329503	31769	310018	10199362	337251	34054	46839	115393	49250	17932	34625	55404	46950	32342	47501	31863	24069	154353	26139	28287	24776	105233	18446	31739	47065	132206	49818	15293	35059	60289	46557	33871	42761	38086	28708	197081	43235	36856	25995	151176	16760
Imidazoleacetic acid	20735	8052	4698	21280	4532	6831	102524	45707	80735	45061	42838	50568	175664	44321	2852	2735	20244	44770	7488	11511	12892	14581	13907	10946	47736	40318	22059	43849	37990	24742	34038	29933	26807	26976	28568	33395	8741	14315	16471	16619	13063	10954	39600	23537	19854	26101	23690	17438	27819	23878	16396	19445	16998	18864
Isoleucine	821382905	542066341	505245939	440046740	196736650	405381112	667781607	415144607	408470331	364851186	332638659	499786926	422925530	180598847	225746471	437387800	395399179	511123192	258366072	238192014	272105195	378450471	369330868	285806960	361527455	415100466	329539179	444839690	380586941	346868872	464200040	381702457	413652753	425429101	438568466	462877298	282324068	211467796	291034597	333237539	265287993	245981297	384328330	323421705	307736638	407362713	309521516	328242257	399732590	422187229	357824648	457370144	439667720	490347094
Kynurenic acid	122697	58320	72926	103556	54936	35491	11309	8794	39954	10252	20158	10057	65933	90483	50676	39662	21778	18129	26313	69047	60708	155664	119879	51122	269391	288732	76546	84448	192908	67107	150605	42493	106417	99633	98164	29359	7896	20614	29226	48681	26206	22354	91043	68566	39684	66964	46647	55198	40568	25348	21214	48916	45553	22682
Leucine	1183073442	853595552	816254575	692467447	299865251	539907677	1117544196	575230209	563899633	529473218	457430280	808921050	637690303	354781364	455286584	784904766	764403370	709094040	384645366	449800758	673394376	640743994	579444847	448929001	662898858	651693554	501533500	686365393	590298733	567441727	682216971	592134594	635015646	696859774	718833734	732134277	388223568	386200834	727578457	575976178	442081011	384416431	688281627	514534405	472418593	618482032	485227880	561349105	587917259	614861941	554347229	754568297	691260082	744596226
Linoleoyl-EA	95109	72227	69634	58376	53408	35264	26416	62570	62040	28334	41389	41348	34280	58472	59392	25907	70064	69294	58341	49348	45755	27578	87862	52895	69852	36534	48325	121627	59672	52735	85174	178324	48378	166318	74470	90782	75284	71197	49704	71679	71274	106192	95483	83946	54462	55406	83282	71335	96094	26876	36501	114427	63289	60305
Lysine	7678247	5961798	6647723	4158484	2589964	3682116	5996815	2108986	1609712	1533224	2182852	3430095	2289247	1104825	1776965	3219441	3175033	3763351	6406325	5525709	6296017	6481330	4780370	4762631	6494069	5625495	3258845	5082320	5309967	4886901	5459538	4792571	4228944	5306985	3952333	3589747	6368474	5355687	7015908	6863261	4981397	4735642	8100316	5534930	5251398	4342396	5074922	6273825	5479330	5070940	4915535	7706825	5229080	5199079
Methionine	3261169	2788906	2479669	1864901	1040405	1747669	3538349	1889382	1590775	1425107	1265116	2292435	2074807	890713	1462290	2299347	2098820	2122673	1262746	968996	1057046	1289816	1052703	772880	1283440	982637	1056758	1138366	896689	1218306	1558255	1438043	1520759	1312866	1184412	1173608	1255173	895910	1111674	1172738	987818	742582	1442605	969673	1047247	1059877	870462	1223305	1401893	1586848	1528848	1638559	1337784	1267392
Methionine sulfoxide	9408	18903	18776	5659	9495	18208	59890	37484	44830	19357	32147	49142	55564	11680	35361	48439	36288	28443	37872	35268	29579	42225	33366	101622	149142	158211	108357	119585	69781	117157	140035	91592	206985	65952	121433	99595	56745	34658	24156	33827	24599	20838	56213	24259	24641	19170	22638	24647	69401	40804	31359	35635	24128	28009
Methylimidazoleacetic acid	1342594	3449049	1840943	111661	3218093	741176	2050758	1102042	3167881	1517948	1332060	1231795	159984	944638	6330679	2276897	1716531	1725049	47882	55736	63674	67735	53451	77989	69350	65606	38761	103218	44644	36177	62384	30424	48629	48498	57140	50452	74253	97946	103437	88739	87948	85282	77511	70582	50951	70184	63191	45144	60035	58220	63499	72680	58361	60887
Myristoleic acid	23487	20500	19861	18141	18620	15409	22370	17497	14465	27052	23449	17550	37211	17244	22595	23293	18518	18915	26713	26767	28447	23046	26357	32042	41214	35719	28882	23169	37491	26515	33097	31698	31281	32633	27499	35737	31754	28844	31696	41344	34387	34793	26564	40380	37884	31901	34037	32137	28261	31344	32529	36994	37848	38358
N1-Acetylspermidine	1582395	1336877	969819	818569	382303	519745	813321	501847	328780	458780	916112	473063	2513825	2555069	374249	1041828	2785553	577614	323846	285528	362083	257287	243896	278520	338195	278515	206840	371816	248832	205359	306071	165557	193810	189451	246603	296294	250770	273401	331838	267218	255899	296182	305757	327649	255224	365629	272922	224687	327358	214742	235254	262147	321891	311784
N(6)-Methyllysine	101082	45253	66842	76977	10061	8833	102515	17446	13473	16062	34549	23215	25246	26275	14592	17063	309349	15657	166550	243157	251863	311702	321096	212964	86779	96164	50084	94494	87861	56242	63172	50369	70688	53464	56358	58899	157078	188845	237030	191344	199615	192829	80583	63281	64007	55112	65179	57495	56110	43103	56232	65170	61148	63291
N(6),N(6)-Dimethyl-lysine	698407	274466	379047	371797	79661	44961	276045	34647	52137	124535	46146	134950	120534	41978	142500	172769	187871	36573	100973	228257	163139	346347	299900	187535	124154	165321	53519	200844	154395	86882	76434	63732	123476	83164	83808	78129	96885	142139	145827	152621	112630	135679	85239	64369	71071	78088	79116	58684	55568	46959	52631	68723	67857	78967
N-6-Trimethyllysine	412989	294669	323970	406559	151162	202646	433878	241986	178902	225545	205213	288319	144479	199694	183865	247907	323067	235914	612107	1122763	734015	1936285	1314073	874938	880621	1745845	572739	1441206	1424811	718336	695565	874588	878815	1301913	830561	465761	1094441	738046	676862	851292	623912	662296	1262651	703425	702391	734826	841818	531584	649070	525854	429053	594684	687446	624375
N6-Acetyllysine	183712	161318	191721	219629	140643	135862	304443	134675	195205	201117	154429	204341	182887	44144	227306	252508	180348	234812	55354	58664	59668	93777	56240	65309	85613	182088	73685	127794	68475	71231	74217	41292	79905	65389	81099	68545	47739	53639	47574	70750	51541	56799	74371	65232	64721	69982	62126	60013	56463	38073	58851	47194	64626	47558
N-Acetylleucine	79906	99714	66548	77184	55476	81966	134935	127630	104830	105180	102418	136422	97212	51793	98288	128584	93995	125084	57848	63545	89398	88182	71605	77593	78954	51687	66221	71840	56205	60434	60386	34569	60302	65987	58918	43292	39034	53591	63525	74328	60966	55703	60458	41241	47177	59466	35378	51687	47673	30379	48082	48538	53240	34449
N-Acetylputrescine	231476	164145	175346	49946	6995	12351	22997	18339	9847	17238	23848	30794	197581	201813	592990	199754	643021	16347	6672	10238	8095	10126	10380	7439	6776	3121	5127	5250	5822	4353	4308	2139	3742	6362	3875	3141	5953	8855	7742	9200	9678	7465	6156	3924	4994	6517	5860	5182	4694	3407	4399	6026	5687	3726
N-Acetylarginine	83215	81683	115494	170765	98493	103938	519245	181634	182519	223503	277483	310322	165571	29488	312653	280628	221453	347733	22294	30947	35727	57898	30962	31452	65400	68565	16177	57162	26458	28274	44567	10948	50621	17903	22167	13585	21405	25395	31932	34866	17326	13895	28990	18100	10143	17188	16475	14489	25964	8904	16223	15191	9143	7490
Ureidopropionic acid	14581	9492	13639	14260	5360	16987	34851	11121	7717	9717	9016	16248	11427	15057	8392	7635	10168	8944	1703657	1658272	2955527	3182701	2709752	2178302	1570875	881317	790531	1215790	788884	559133	1107015	274658	849437	663510	595146	778950	819113	1274237	1923611	2415410	2249510	1469089	1013554	687257	562732	1074290	504873	388548	569052	232358	657402	266069	415498	455051
Niacinamide	23402	301018	32632	23175	138167	124310	64908	56549	55444	309669	87209	48789	67466	215706	63738	52003	44752	60193	4456183	3613671	6454639	5245444	5283465	3665483	3770742	4060578	2958269	4903416	4704111	2869603	4562926	3442868	3516866	4267583	4117573	4188558	4135158	3217747	5607302	4690531	4545645	2987255	4505506	3412817	2832980	4148835	3773107	2456887	4994664	2696981	3058107	3525833	3142466	3493529
N-Lauroylglycine	32691	21977	25494	26189	20826	21311	14948	27053	29117	21297	24175	24550	43192	30616	29823	20908	34435	26359	37315	35499	39043	29495	46899	30614	47169	35142	39733	46773	37483	39233	46967	52421	37777	43392	38821	45268	32111	34953	32359	42164	40628	43200	44461	47070	45052	37682	44472	35886	31318	22490	31058	42617	45028	30927
N-Methyl-proline	38416	2231	1182	5986	4637	4054	16121	15188	18545	39609	21117	20512	59581	38767	352225	152872	31462	203164	10646	7621	5866	8374	6997	6700	7494	7322	7441	8363	9896	5329	6837	8447	12611	10126	4901	8086	18327	11107	9034	8718	7982	8735	10410	9020	9003	9703	8683	7918	11972	11432	10503	10931	9205	9859
Targinine	153232	116065	109691	72225	32080	27035	114185	33952	25790	35006	42998	96789	41792	17918	25137	48087	87984	36897	187403	206026	182934	230000	213223	141067	167984	181948	94371	178874	190827	124388	154030	136534	147880	164774	124132	116418	219449	205857	234557	246048	214774	205621	237057	192914	201178	189709	210731	214428	169966	166617	191553	246574	212765	228752
Ornithine	23391	13684	12126	27449	7078	9793	53407	5523	7052	11610	13181	11450	6562	5944	5764	8859	7027	9204	653502	628824	923038	757774	687476	359837	321076	408854	146205	525942	420041	240027	449959	368890	285251	372912	280670	421829	803451	635030	1128285	782713	771195	443214	580346	443711	395960	413232	441435	448155	569317	444512	364443	746589	468904	748924
Pantothenic acid	1500973	2839330	2789216	4118873	1802266	2441928	3963383	1959098	4718306	2576905	1786234	3607454	2292038	738667	1659907	2302257	2967861	4187695	2431188	1722895	1609725	1782181	1796970	1512896	1042135	994791	751755	1427441	1010854	979173	851362	811537	750057	1236473	1122755	763347	2086595	1658804	1587436	1666948	1691250	1561264	1091516	942187	861771	1262982	900174	970136	1003645	893186	738944	1202660	1193014	686576
Phenylalanine	1016067054	820792324	751497243	624984627	290951127	533100010	1070735503	622184160	635761120	439407679	485278406	769657435	696823392	356481410	566905690	806391135	759409213	732464477	256431096	283752313	358582781	413280780	376324018	367907648	376841030	386409003	340790863	387659281	339589459	311545930	286354939	285941435	380504351	377619167	350017250	358419630	243594231	236996215	331713398	347746655	274131772	300215156	369378781	293756865	310291822	376721735	282567029	294972274	241008527	287927458	327666266	438382594	351957250	367241050
Choline phosphate	31261031	14768465	33368341	40150627	10024615	9976197	31206331	1489976	1029140	1238442	1209941	2765905	27401326	4026916	37372948	32007684	14523183	17704659	36213216	29754641	69146597	31589892	32877723	28514131	34502856	27614638	16641385	22327764	28904824	17464231	35890771	24315829	21231993	38977476	39440670	26385097	46497206	39595513	98977449	57996163	35692430	37887214	90478952	47746397	48849558	49848090	61586371	41264261	89552175	81178636	41551803	66996454	74710837	49324466
Pipecolic acid	53896	57872	44951	72685	66553	95604	169024	102268	104955	130762	127911	140513	124036	51170	158667	138397	91432	127052	222340	273076	254355	334755	326864	357215	556469	570429	601878	650382	462824	559616	394089	255881	614189	323990	454030	489177	191620	229852	219869	229348	235345	269556	380010	299270	421955	367805	356891	383985	281602	192859	370325	265185	265678	318010
Pro-Gly	5037	3624	6616	2926	2149	3549	6701	3242	2907	1537	3064	3729	5521	2478	3714	3790	2851	1507	11399	34442	19977	45301	21727	19793	31689	74375	13255	34740	19735	17926	18040	15028	30616	24787	25451	15225	27417	22638	21059	52753	16474	18074	27754	19743	12899	15908	15805	15768	22113	22597	11882	39336	16453	24345
Proline	5378419	4838626	5251825	4391544	2701655	4054979	7798711	5103815	4911258	3917482	4170735	6603706	5018222	1821857	4692823	5460503	4824658	7027684	8884676	5501518	7197427	7761917	5547107	4217952	5644343	5333004	3764674	5373747	3594353	4193766	5612891	4629159	5138920	5177541	4035631	3972932	12341380	6817453	8274036	10333931	6346283	4887416	7514263	4747909	4556073	5636549	4513820	5621800	6965260	8268682	5501669	8262320	4715199	6886924
Proline betaine	12634	12855	51661	16673	12520	10907	17755	14660	236826	311694	199207	148508	789512	25011	101297	52223	153478	116548	9169	12972	65948	11145	10730	7369	10532	9979	27678	23150	14576	13986	45023	11639	20770	33811	26815	21115	7414	24123	66967	9066	7212	8334	10661	10370	17748	23214	14791	14190	46579	13176	22197	30624	22899	17198
Putrescine	34184	18894	10127	48094	25264	35093	22189	12486	7977	10712	12868	17335	14506	12342	8289	12074	26006	6159	20130	23709	16517	21110	19971	20417	15933	11221	13007	23239	19817	13367	23312	17330	12940	23108	22289	17703	9360	10048	6851	8037	8807	13831	10145	7396	9188	8460	10903	8313	11587	8957	7538	13540	12242	11832
Symmetric dimethyl-arginine	15409184	22602234	10093667	32116666	7929909	36233321	9848966	4642281	3903028	3688912	4819737	4925232	4423147	7106097	4261173	4214731	5360980	3794969	19519333	31004368	24176774	42554934	36065718	25945977	34850951	50737560	21866136	51268302	49571753	29231911	26553673	25312466	35390046	25793503	28987845	23285488	18102273	22908121	22076095	24595772	20505759	23842311	32041524	27253072	29158839	22604447	31815871	28916769	18169785	17265211	22990214	25581436	28617639	28949293
Serine	122773	86650	97209	73028	41979	65506	115614	68394	74840	65139	75771	98536	75867	34922	68321	79771	60875	105119	91969	80262	101564	102861	93018	73779	135111	101130	89337	101381	90667	106477	106901	89009	114564	95562	74615	96853	80693	77640	110148	123398	95014	72781	132968	98779	97271	94619	84528	107729	113740	92498	121690	135047	79955	114913
Taurine	9629094	10579832	7779111	7436340	9973404	10187048	16821755	10262780	9065365	10792521	10800474	11292744	5251416	8563652	7748279	8004200	8211721	6620885	11101044	10958572	15995722	10904570	12046430	10566974	14665419	13259146	10052054	12457154	15543961	12582947	14648332	10191706	12517985	16344793	16565200	13088229	11283908	11302394	17243358	11339116	12107183	11034766	16773706	13224723	11442161	12978965	14972486	14340729	14924546	11842158	13421360	10309003	17047279	13832691
Thiamine	733253	1241702	649535	492692	425347	687773	2468074	1249319	758446	1089184	1113073	1123235	742535	175564	498321	433293	841514	921120	756974	690315	667947	822125	646147	611915	843506	615927	556743	1005674	667743	710046	789669	415253	475250	477347	500072	338426	313183	307976	302519	360876	305887	330332	336896	270541	228647	314988	283900	310334	366019	167062	202465	203955	217545	162894
Threonine	461868	341591	359644	265784	152066	241297	549605	343020	338044	296588	363487	447291	256185	107885	207716	302696	246123	514120	451521	400351	507411	448854	355304	374778	554227	418750	350037	397994	364239	391672	500839	435855	392044	503787	347895	352112	462650	412815	520516	524522	367287	379589	598667	466328	357909	395005	354459	421881	541947	505863	418684	672089	405592	468132
Trigonelline	218690	102212	111939	172838	55923	134192	68781	53950	28380	64471	135182	42506	201167	344869	52815	33188	29976	48222	14829	11228	9566	8372	6842	7285	5642	5181	60694	75051	15665	27759	21266	18720	98997	16925	13766	10404	13531	12922	10285	9094	6530	7040	6839	6131	59172	105723	19830	27989	21391	18601	95833	14016	12951	9077
Trimethylamine N-oxide	3346	3035	4339	6443	1594	1142	1391	1350	1108	905	1280	914	1207	1763	1611	1607	1702	664	113584	75278	196230	230999	106084	141646	56837	28480	39763	52891	62032	45681	25430	21752	50397	63400	31586	34855	106028	76573	193161	226083	105318	147727	61242	28664	44913	50202	61659	45710	25890	23874	57769	64039	34884	29337
Tryptophan	206009189	174206897	153611317	128385025	59107395	107016324	205045201	103204201	111896307	96679369	103527022	135641626	116882365	87883262	91579997	145618519	136941435	128336291	360192670	352511732	372151606	445989881	344682654	300083753	355965944	322307725	310847098	353218993	393402497	351064960	323929316	391560325	315581460	445267172	287123343	348076228	369105587	390170540	396152071	477887949	349219061	328227952	388285631	334776510	329877035	361376982	376860530	383330923	288554472	450985129	353829542	438737676	371444795	416543745
Tyrosine	221176350	176398829	165049719	147299348	71480375	116969775	246641991	132844607	126808553	101025333	106063725	161389047	162981013	73856988	121473911	184628165	171128920	162512401	131656834	113819104	120770719	168950087	106002054	74830834	86422446	76721238	56729516	78090519	76349040	78739129	113069354	124988850	79793520	130060297	74857722	83262977	143149168	108878622	131458724	150559825	94121522	73635394	100768751	77314029	60283799	81825259	73047716	85701426	112673460	134593250	81724687	151083969	90009902	93490774
Valine	1506244639	764810087	586793896	684602762	299873586	587999394	851055852	609883046	495161054	558800760	697774156	660766773	499960936	442091426	269879580	491241496	479753702	648637499	317546119	283417329	473227461	383329006	277102222	292966904	433022285	365674810	296704431	421146305	347452011	329310960	521240101	374324249	378640527	447242973	382462871	461691477	329208737	266387059	489024611	401098086	258657774	261251873	442416852	335550127	293978074	400454501	306861424	336503182	490309244	417159843	364409327	466895421	389629534	485662594
LPC(14:0)	90179	46890	101163	92396	11565	4285	11328	381	744	626	1776	9440		1331		288	8200		1548040	1530588	1482686	1454565	1573852	1292309	527052	641863	453253	695355	608133	556579	708073	571862	484462	451948	528796	607216	1479447	1437160	1274068	1220238	1308548	1112970	483247	521258	423983	505685	562290	465377	615255	474248	428704	370484	458862	499732
LPC(16:1)	135012	201727	190527	315333	46414	70303	69099	14488	15838	9313	22851	86102	28734	18630	49682	64659	111096	14423	5826317	4693174	6391437	4573240	4728685	3741748	1614695	1701690	2048315	1870693	1956978	2222359	2427691	2151043	1996860	2261604	2364707	2631224	6066809	4956019	6514017	4841873	4916359	4120606	1685516	1865343	2259459	1777557	2065841	2229382	2795019	2384554	2254453	2506785	2628883	2751804
LPC(0:0/16:0)	13609708	7917219	12742840	11351289	2690880	6691391	6408714	1481003	1839854	1532104	5246172	4569299	762695	1380267	915597	1727207	4865441	1435506	228066907	205333388	235797956	179188535	203378778	173938012	126937888	131740233	125305619	119180515	135060679	147781651	167226897	162421824	130560261	153808655	156394014	153960121	226548223	219152028	248563339	193405634	221809177	192933761	136185666	152667556	144562006	123953921	148158998	152496674	173411323	178604195	147575185	161805440	179219325	166400136
LPC(18:3)	1463446	915177	1361296	1252838	301993	885064	698392	243253	226792	231490	811382	535926	127294	163846	114020	243646	630695	242754	20473876	21995151	23985428	21805148	23904703	20863359	20036796	17760254	17859782	19339080	17342120	20425694	20232417	17870766	20670652	17554595	19024928	20335767	18709744	22175236	25347251	22259499	22570820	22649745	18464473	18529440	18835672	19642071	17681901	19597027	19755809	18611114	20492949	19329855	20314715	21706856
LPC(0:0/18:2)	281293	654912	468680	943216	202760	405360	187434	59479	70845	41994	83710	222163	177652	396111	613681	490067	351848	109637	125336058	102086937	81087765	81826669	78700736	59831064	62194444	75825905	52653431	57068080	68805622	66837504	94455437	96021814	50791636	72517043	62825094	61895291	125004584	109699558	85876732	89354022	88482765	64920589	68065285	87576272	61329872	59483511	74024888	70258778	96175606	107017262	56619589	74761486	72616375	65637352
LPC(18:1)	1336683	1270822	1601121	2368829	348047	453351	501897	131376	221900	87654	202194	740813	198012	317237	516705	588240	800080	124425	58246165	48185670	63034828	46028689	45694871	34196370	23973131	26219190	23197985	21501323	27498848	26870667	30985719	31238945	20713994	27450686	25198722	27830775	56502041	51151092	68136204	48730338	50813949	36744311	24998145	30412925	25795971	22601565	28959474	28852028	31388156	35131309	23867843	27453439	28532020	29646096
LPC(18:0)	7410926	4523038	5020891	9143075	1674746	3827212	3979046	1117453	1706546	1044394	2736723	2318130	678979	1206023	722856	1289838	2340936	789649	138837167	127058366	131784818	110142744	120448076	100535169	88255559	97196942	80599364	77638800	95366051	99701951	118710565	101292296	80448092	96828894	96545218	97949879	135490704	134636731	143310947	119311771	134601338	110836154	88771444	113146583	86934912	82505430	105785324	105006589	120812673	110037235	93243281	93890868	111091460	105166795
LPC(20:3)	277154	181013	220548	360007	74848	197664	132448	41060	63195	49466	124515	99542	32330	80200	80603	88616	109030	38732	16860192	14846520	14781218	14697335	13933031	10652154	7594238	7835717	6772751	7218293	7820012	8265592	9568850	8578030	6770470	7582408	7591830	8944347	17352751	16338721	17072619	15431478	15363838	12296405	6832512	9066052	7223782	7749697	8506315	8382920	10198257	9170756	7363987	7432029	8636043	9172368
LPC(20:1)	72163	33269	54714	97387	15414	21262	30402	4322	11933	5251	14205	29028	1457	7617	2559	8512	25976	2628	876756	781268	909762	817044	736446	583071	498363	490240	457025	403997	538474	560475	602334	725759	556098	532315	496868	650923	970428	1043479	1109133	1087401	993788	778540	625681	725965	609362	518244	737979	743926	830559	936613	794219	693158	756703	830500
LPC(24:0)	85437	110234	114815	93021	56774	72521	78361	45395	72113	45931	56172	44827	16333	26150	19564	38445	34918	23052	541885	515374	531600	328101	453789	458148	546453	477305	548695	502275	603551	677062	883555	599712	475748	625770	633351	688605	608412	635927	675585	429621	591830	597809	675382	646247	708787	624014	721520	874415	1045808	795077	655047	707807	843960	843461
LPC(P-16:0)/LPC(O-16:1)	1255754	90953	902033	126860	61919	20696	453035	32301	29943	18220	91685	78596	15210	19742	9434	27185	109008	15723	64396	56544	62814	52098	45254	51128	75474	55660	79473	74117	81291	87479	70057	90821	81113	70905	73222	91155	59225	69053	59161	60237	59263	62054	66794	65647	78222	76321	90278	86630	87943	85185	95305	75555	82377	74594
LPC(P-18:0)/LPC(O-18:1)_a	3080241	174439	1970684	417082	122187	28752	1086944	38417	83897	38452	123690	258702	39305	17483	36214	109013	290269	13904	554210	477817	448627	428268	447033	361392	467127	445934	549328	488775	539109	659290	600798	698084	650997	709175	662229	637881	553222	482859	434842	455513	464530	406080	485681	501656	550427	410006	576219	620665	685607	727228	698678	775972	735342	655487
LPC(P-18:0)/LPC(O-18:1)	177850	17242	139833	26295	10096	5558	80057	2832	5463	2119	9157	13857		2208	355	1943	7742		25798	21030	20541	20466	19910	18218	23195	21274	22691	19843	25843	28655	26742	29921	19421	27105	25541	24422	29497	30094	20744	22752	22674	23255	27400	25980	24567	19089	28015	30407	27421	32377	27265	30157	32758	26589
LPE(16:0)	503601	380875	345066	768283	226743	392451	292861	151548	108621	74655	114429	133627	26252	56685	55760	59991	124118	40978	1643062	1558091	2029982	1391888	1611487	1552754	1101626	1213553	1082681	928866	1352426	1347464	1405188	1358525	1045736	1392761	1318957	1351284	1740085	1728046	2180372	1515501	1766307	1791884	1296478	1397441	1292992	1049534	1492832	1508931	1390410	1679801	1279059	1341628	1744268	1533953
LPE(18:2)	27132	79261	42486	106465	40713	79687	27200	30744	21994	7938	6963	28287	24690	120022	110457	60127	44405	30347	2263892	1206064	1024309	1231075	983325	606287	1126284	1601088	801107	1095470	1326019	928449	1590772	1858632	666529	1125492	919967	879713	2397851	1277797	1083215	1254401	1107385	704446	1311276	1674866	946038	1052869	1265291	965973	1473325	1964992	703893	1042928	1110593	878282
LPE(18:1)	306944	379073	323317	753462	106730	210067	184853	116354	108487	53550	57162	173875	62044	154625	183389	170195	186035	54830	1073624	745558	1001607	809285	746566	492753	439999	527473	388905	450900	561658	461988	678132	665080	383518	576105	516488	504487	1138915	816804	1078033	832064	809521	582924	483144	595712	472102	453258	584455	525875	698765	809464	458780	547312	645362	601912
LPE(18:0)_a	3082245	2137857	1592355	4666280	844950	1183366	1316581	481434	653976	284768	640030	651859	233225	686286	297913	418773	582268	159269	2378752	1903593	2150743	1826728	1995349	1507593	1348828	1500556	1227510	1129812	1612389	1540121	1715496	1749520	1267316	1648589	1569474	1442024	2373532	2128379	2330133	1930881	2094811	1785108	1470258	1732067	1423059	1230288	1701930	1768127	1735326	2158246	1536703	1600517	1929155	1738200
LPE(18:0)	138575	90918	173722	120643	23048	10265	36871	5755	4101	2951	12429	55480	1162	5753	940	12906	57217	2201	663526	637335	604034	483814	560584	544816	342558	373770	381040	336575	428771	404490	468831	426124	365950	424873	444359	461568	748071	668603	625798	523178	604738	591134	353279	413089	425653	321582	452434	414722	574988	487162	417244	479113	499716	475270
LPE(20:0)	387148	202571	337847	231282	50572	80700	199744	42409	48542	29635	100278	159072	20170	28214	16547	49728	132440	25686	2308677	2506878	1974906	1607972	2144311	2005281	1736874	1937500	1899482	1662144	2477493	2245026	2640047	2374219	1762274	2461296	2509068	2322218	2201500	2587873	2108044	1677177	2332078	2172775	1875877	2247060	2099281	1773398	2606333	2448818	2781037	2664297	2055660	2424346	2797163	2525368
PC(30:0)	815698	469808	458252	1168740	163596	211113	402243	48387	207031	205251	62553	192211	118526	43658	179386	112910	137845	48812	867660	774650	798941	617562	701204	665661	443941	391942	356625	430249	472582	462427	619642	408530	312760	442387	387588	434506	904856	975040	846978	748240	873558	724431	527799	474495	427139	462238	504174	564661	666638	500703	400408	495263	483309	412919
PC(32:2)	448636	561505	444434	572471	72170	44138	94275	3094	22481	43185	3167	183439	27208	17021	41866	59596	170353	1895	1050466	974649	1161141	901025	979207	1111840	655553	723302	696788	839335	771222	688569	827707	596920	630949	624268	600657	798205	1037749	1167226	1134055	999766	1095439	1236378	772927	806587	751187	913818	823054	753931	889870	678965	747716	589357	723589	744816
PC(34:3)	1636401	1827342	1489573	2346006	424501	900309	979677	170973	551863	599128	314234	1281020	352697	204697	495069	780718	1240178	267160	8756152	8459882	9567501	8636090	8852823	9583511	5400341	5561698	6210365	6084715	5805045	5621709	6412353	5238551	6382516	5589611	6021044	7042184	8744380	9592997	9874301	9228205	8937292	10164579	5860632	5705955	6454426	6701383	6177085	6187572	6654461	5695612	7025684	5862865	6605213	7093434
PC(P-34:2)/PC(O-34:3)	281486	493568	392807	341145	49662	37213	385265	77528	120735	119559	89145	537386	187571	96873	128931	354055	606384	39246	113037	161679	83456	95107	97498	195185	961641	686069	994504	642723	807423	776812	530792	717736	1299346	531982	523311	817924	102338	156921	74573	120711	120865	213435	1034454	826774	1005025	670251	887189	861538	526488	772417	1505618	487092	551849	875783
PC(P-36:4)/PC(O-36:5)	1763970	2422537	2505719	2583394	375940	259167	912423	205457	402639	426781	222918	1484257	579453	281892	553286	1063234	1741260	142244	1138916	1244656	1195063	1058068	1118187	1265798	3375443	2605750	3254841	2473113	3272256	2945721	2837878	2898361	4208187	2621399	2532724	3004200	1119854	1332304	1127889	1083182	1211064	1435305	3626661	2971404	3303455	2772038	3430188	3014112	2938977	3129607	4800849	2420006	2725101	3167257
PC(P-38:6)/PC(O-38:7)	141723	170416	239974	188711	32725	27377	92949	35637	109748	56422	30522	93043	38463	15363	34442	82878	155667	6363	1548907	1528979	1477907	1382449	1440876	1594575	3110337	2562077	3007108	2367045	3101512	3328376	3488241	2941468	3785656	3095186	3017869	3131707	977430	1063134	962099	894749	1021044	1053552	1926168	1808049	2024346	1621160	1894156	1950468	1945372	1847534	2733768	1603096	2010790	2059303
PC(P-38:5)/PC(O-38:6)	521718	583823	609746	735755	156250	185002	316866	69570	341368	174653	106762	365368	177862	110232	277948	333450	445071	52090	381667	489375	354723	382525	479327	497691	698162	615299	1099641	865834	695250	883951	990600	686818	1147721	1228591	1498783	1237554	1327643	1381724	1133247	1204610	1312183	1502896	2567307	2499952	2947139	2366283	2745105	3203031	3264373	2797161	4055068	3207996	3655608	3186360
PE(34:2)	588084	688902	510624	707440	479041	354505	766564	1049783	908585	462533	513055	703330	196331	148749	197924	345466	525266	154475	876033	680203	817697	632315	637870	620456	1613411	1429463	1602979	1621573	1621500	1779541	1539888	1425414	1370348	1400286	1429470	1461202	898203	703026	898143	654653	691828	705377	1741310	1539215	1721036	1810153	1703319	1970856	1633562	1739239	1581183	1396814	1729996	1669271
PE(34:0)	202488	181216	163010	276567	47876	41508	126000	6580	28818	40132	16486	172814	12133	8497	33058	63318	97010	4741	154932	120306	153408	98437	145948	123699	73470	57517	39519	58701	91472	53428	74940	37107	19003	32386	58232	57195	177231	180611	176466	136270	152547	128845	61065	41977	72900	49086	99245	44825	82869	58081	29677	63806	51145	49386
PE(36:4)	947092	899005	929682	973188	649253	411360	764664	1079317	1120465	547074	678962	942447	306015	97112	304991	434201	547362	256654	2070181	1892997	2962346	2008666	2184752	1739725	1657845	1785152	1736125	2139667	2138025	2108555	2208663	1711233	1874498	2127108	2235530	2226813	2339956	2047000	3081708	2164577	2244496	1987225	1832910	1778580	1950835	2210663	2056690	2176578	2123264	1939979	2175214	2076067	2487869	2458861
PE(36:2)	1325293	1732832	1369023	1700822	561920	519983	2066329	1284700	1234645	1003888	938718	1824036	1150760	802074	840666	1345545	1807792	528920	3784564	2457426	2398438	2328077	2055792	1292430	4269930	4906171	3192462	4462780	4547648	3890863	5981798	4619679	2787419	3798921	3683944	3228144	3790345	2579866	2569873	2447207	2151731	1414202	4613660	5043698	3460396	4516302	4192306	4120273	5754244	5411741	3222346	3454925	3854870	3307360
PE(38:6)	512283	440276	528764	586014	189712	110722	362411	129791	208452	234706	100661	293890	215650	80243	196592	236132	338031	78034	5659994	5995411	9169970	6397970	6948960	6542720	6334860	6122948	6856403	7501922	7344840	8102560	6522707	4995742	6607142	6500379	7590568	7779611	4012175	4765273	7046107	4640464	5279004	5878899	5338009	4496984	5849229	6153757	5593263	6493016	4450863	3957510	5676323	4722209	6290560	6867874
PE(38:4)	2972340	2725482	2597531	4155792	1158252	801257	2902320	1352070	1800253	1632195	1219799	2192937	2004899	719301	1560439	2063370	2315795	603570	6074025	5169614	7305875	6135744	5562319	4125383	4579702	5370904	4848790	5756869	5600939	5571555	6376210	5320238	4720468	5278627	5906287	5126501	6430173	5588174	7813626	6222664	5758824	4522376	4966178	5191601	5091888	5986005	5438916	5682810	6244770	5610462	5144915	5125336	6192027	5682670
PE(40:6)	734701	439620	620956	958408	309424	165570	873868	453082	486858	483223	382531	544083	462834	134900	399984	444174	487356	140507	1658653	1612130	2584888	1833925	1986705	1841193	1918361	1806962	2309679	2274853	2032042	2507411	1751335	1563090	2020429	1888999	2193349	2186504	1836343	1757472	2842583	1816684	2062333	2003112	2080146	1728561	2389885	2504863	2038329	2629458	1762801	1685210	2167160	1905679	2396010	2513709
PE(P-34:2)/PE(O-34:3)	238489	317398	260903	214776	58673	37726	759638	463119	347243	305155	272110	678104	205572	141632	151013	342858	485320	42256	220007	197057	147552	157356	176547	134269	543218	506467	488052	398953	591745	505154	554084	489026	532639	490151	449499	475652	216370	211179	153501	171126	188698	156424	585309	523296	549597	418305	570661	529266	524443	545881	624307	479361	519189	502608
PE(P-34:1)/PE(O-34:2)	1297695	1437036	1230036	1201466	345438	173618	2304450	1287090	792340	977038	939554	1817141	963698	550996	521603	994656	1517321	211614	205054	182093	150300	173609	190508	155122	460342	421813	484189	396041	566080	503788	564638	439062	501445	572685	524812	530369	234981	203379	159758	184253	205371	185120	505534	435504	537208	398318	579066	560511	573624	519354	574839	591157	644148	589229
PE(P-36:4)/PE(O-36:5)	3394444	4093848	3867646	3798106	1006352	542461	3537954	1130965	1137738	1189376	802326	3636376	1778373	865731	1443397	2682623	3714561	396704	1161202	1114928	997320	1045882	1154077	868209	2137504	2194311	2232990	1809363	2515611	1951916	2780775	2118213	2188767	2306397	2311383	1974784	1254083	1228631	1077695	1083671	1248462	989638	2267971	2192639	2209167	1840867	2437450	2056941	2714657	2214151	2279069	2406153	2499076	2180163
PE(P-36:2)/PE(O-36:3)	793716	1061946	871208	749210	234172	116971	1194199	498655	374430	356549	318535	1251824	679799	427702	403226	866337	1329935	170248	442374	355224	260573	341001	323282	243536	574875	537132	505286	472170	605687	530859	661195	661566	547189	568209	520155	494588	449154	381952	273637	351775	337826	284292	608224	552518	554616	478162	600804	555552	639565	704466	621650	567142	595537	534952
PE(P-38:6)/PE(O-38:7)	1421688	999595	1226013	1626141	334569	185511	1496605	490408	517261	580021	333017	1123016	767068	295207	647430	919834	1302116	176331	2706645	2651853	2584865	2462989	3047430	2506384	4318694	4491439	4919618	3707989	4964435	4717776	6636197	4842614	4919976	5539290	6048997	4793574	2833890	2984997	2802934	2566646	3219080	2705054	4731798	4526068	4886332	4126747	5145849	5065189	6587379	4925187	5214446	5686790	6779918	5269115
PE(P-38:5)/PE(O-38:6)	2883087	3687382	3659464	3038189	909030	421178	3208068	1092239	1126978	967687	774390	3752386	1574162	839622	1329075	2505283	3944388	395514	1264927	1155377	944278	1058433	1301750	926955	2058837	2265339	2492020	1931282	2742735	2600521	3661449	2131919	2600699	3519293	3322498	2617598	1251008	1284383	970442	1005012	1302337	1035904	2105700	2243343	2643252	1909212	2681899	2603617	3404545	2310671	2769329	3382128	3680153	2832253
PE(P-38:4)/PE(O-38:5)	4678875	5740366	5100601	5152894	1412650	697803	3953795	1424158	1264229	1363732	988398	4070132	2213295	1043277	1500342	3027523	4365523	478598	4255989	3353150	3098131	3638413	3516094	2588460	3937287	3989873	3691710	3491923	4507754	3866155	5565879	4494040	3682282	4380594	4047405	3647024	4391442	3740672	3270402	3773437	3649829	2817123	4273929	4083957	3802411	3549963	4506070	3997955	5543333	4684257	4093261	4460373	4444727	3909826
PE(P-40:6)/PE(O-40:7)	932708	703482	898728	936610	228742	112037	1139148	417741	328220	379040	272030	829494	484084	199492	359934	607815	904887	116074	3434559	2986372	2984967	3190724	3284634	3016007	2954620	3009428	3261689	2769874	3359450	3497966	4647574	3942272	3240457	3853689	3875109	3391165	5256807	4986698	4395518	4761951	5083170	4295534	4451227	4332553	4622108	3908127	4847415	4862902	6479081	5571916	5102584	5493097	6003271	5022941
Sphinganine	1367506	1303507	1127662	1526636	1946919	2383128	6122445	4178549	3231711	3858923	4052200	3587706	904965	821718	1541707	1035532	1714436	1101427	49746	41280	49137	47299	40141	6731	17326	18354	12448	18746	21439	7475	17170	25723	9034	27632	12207	9272	27089	20757	19295	34537	33152	5638	10612	12126	3963	3070	8154	4527	7167	5480	3670	10060	2875	1530
Cer(d18:1/16:0)	1683278	1654796	1155597	2220092	1115813	1119500	2512977	2482911	1716142	2295131	1784004	1409559	469890	808290	712068	615245	858390	449535	657073	564948	914965	503396	680903	270597	177164	232744	153268	208233	255819	209819	387893	237754	150846	229071	254288	197133	799656	538982	940727	449618	719368	328276	173053	248619	154052	212546	210809	194917	400002	369870	180701	243001	231624	217923
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Study_Compound_ID	MZ	RT	HMDB_ID
phenylalanine-d8 [iSTD]	QI14791	174.1365	6.67	internal standard
valine-d8 [iSTD]	QI16265	126.1367	7.37	internal standard
1-Methyladenosine	QI17103	282.1193	7.65	HMDB0003331
1-Methylguanosine	QI11907	298.1143	5.03	HMDB0001563
1-Methylhistamine	QI20252	126.1028	9.58	HMDB0000898
1-Methyl nicotinamide	QI18097	137.071	8.18	HMDB0000699
Aminoisobutyric acid	TF1	104.0706	7.58	HMDB0001906
Deoxycytidine	QI13396	228.0977	5.94	HMDB0000014
4-Acetamidobutanoic acid	QI9270	146.0812	3.29	HMDB0003681
5-Methylcytidine	QI13435	258.1082	5.95	HMDB0000982
7-Methylguanine	QI12971	166.0724	5.72	HMDB0000897
Acetylcholine	QI17383	146.1176	7.87	HMDB0000895
N-Acetyl-D-galactosamine	QI12404	222.0971	5.36	HMDB0000212
Acisoga	QI12908	185.1288	5.64	HMDB0061384
Adenosine	QI11735	268.1039	4.95	HMDB0000050
Dimethylarginine	TF2	203.1503	9.67	HMDB0001539
Ala-Ala	QI17508	161.0921	8	HMDB0003459
Alanine	QI17315	90.0549	7.73	HMDB0000161
sn-Glycero-3-phosphocholine	QI4657	258.1099	10.35	HMDB0000086
Anserine	QI4677	241.1294	10.39	HMDB0000194
2-Aminobenzoic acid	QI3847	138.055	1.8	HMDB0001123
Arginine	QI19527	175.119	9.08	HMDB0000517
Asparagine	QI17395	133.0609	7.79	HMDB0000168
Betaine	QI19306	118.0865	8.91	HMDB0000043
3-Dehydroxycarnitine	QI19043	146.1176	8.7	HMDB0039059
Carnitine	QI19066	162.1125	8.74	HMDB0000062
CAR(2:0)	QI18920	204.1231	8.62	HMDB0000201
CAR(3:0)	QI18243	218.1386	8.28	HMDB0000824
CAR(DC3:0)	QI20013	248.1127	9.36	HMDB0002095
CAR(DC3:0(2Me))	QI18613	262.1283	8.49	HMDB0013133
CAR(4:0)	QI17770	232.1542	7.97	HMDB0002013
CAR(4:0(OH))	QI19110	248.1491	8.79	HMDB0013127
CAR(5:0)	QI17299	246.1697	7.72	HMDB0000688
CAR(DC5:0)	QI18227	276.1439	8.27	HMDB0013130
CAR(14:0)	QI15044	372.3104	6.79	HMDB0005066
CAR(16:0)	QI14848	400.3417	6.68	HMDB0000222
CAR(16:0(OH))	QI15576	416.3368	7.1	HMDB0013337
CAR(18:0)	QI14597	428.3732	6.57	HMDB0000848
CAR(18:1)	QI14660	426.3573	6.59	HMDB0005065
CAR(18:1(OH))	QI15470	442.3524	7.02	HMDB0013339
CAR(18:2)	QI14768	424.3418	6.65	HMDB0006469
Choline	QI18178	104.107	8.22	HMDB0000097
Citrulline	QI18197	176.103	8.28	HMDB0000904
Cotinine N-oxide	QI14858	193.0972	6.7	HMDB0001411
Creatine	QI18189	132.0769	8.26	HMDB0000064
Creatinine	QI14329	114.0664	6.43	HMDB0000562
Cyclohexylamine	QI14327	100.112	6.42	HMDB0031404
Cytosine	QI13098	112.0507	5.8	HMDB0000630
Dimethylglycine	QI18464	104.0706	8.48	HMDB0000092
DMGV	TF3	202.1186	7.79	HMDB0240212
Ectoine	QI19191	143.0815	8.86	NA
gamma-Aminobutyric acid	TF4	104.0706	7.5	HMDB0000112
Glutamic acid	QI16703	148.0604	7.52	HMDB0000148
Glutamine	QI17693	147.0764	7.95	HMDB0000641
Glycine	QI17520	76.0393	7.84	HMDB0000123
Histamine	QI19662	112.0871	9.16	HMDB0000870
Histidine	TF5	156.0768	9.2	HMDB0000177
Hydroxyproline	QI17394	132.0657	7.8	HMDB0000725
Hypotaurine	QI17648	110.0272	7.92	HMDB0000965
Imidazolepropionic acid	QI16359	141.0659	7.41	HMDB0002271
Imidazoleacetic acid	QI17808	127.0505	7.99	HMDB0002024
Isoleucine	TF6	132.1019	7.05	HMDB0000172
Kynurenic acid	QI12085	190.0499	5.2	HMDB0000715
Leucine	TF7	132.1019	6.92	HMDB0000687
Linoleoyl-EA	QI5981	324.2893	1.98	HMDB0012252
Lysine	QI19939	147.1128	9.3	HMDB0000182
Methionine	QI15315	150.0584	6.98	HMDB0000696
Methionine sulfoxide	QI18654	166.0533	8.56	HMDB0002005
Methylimidazoleacetic acid	QI19132	141.0659	8.72	HMDB0002820
Myristoleic acid	QI3002	227.2005	1.71	HMDB0002000
N1-Acetylspermidine	QI20402	188.1756	9.79	HMDB0001276
N(6)-Methyllysine	QI20255	161.1285	9.59	HMDB0002038
N(6),N(6)-Dimethyl-lysine	QI4561	175.1442	10.16	HMDB0013287
N-6-Trimethyllysine	QI4823	189.1596	11.11	HMDB0001325
N6-Acetyllysine	QI18273	189.1233	8.32	HMDB0000206
N-Acetylleucine	QI8580	174.1126	2.73	HMDB0011756
N-Acetylputrescine	QI17591	131.118	7.89	HMDB0002064
N-Acetylarginine	QI18009	217.1295	8.11	HMDB0004620
Ureidopropionic acid	QI10239	133.0609	4.01	HMDB0000026
Niacinamide	QI9745	123.0556	3.72	HMDB0001406
N-Lauroylglycine	QI7474	258.2061	2.34	HMDB0013272
N-Methyl-proline	QI18723	130.0864	8.58	NA
Targinine	QI19913	189.1345	9.28	HMDB0029416
Ornithine	QI19736	133.0973	9.18	HMDB0000214
Pantothenic acid	QI8837	220.1179	2.93	HMDB0000210
Phenylalanine	TF8	166.0863	6.67	HMDB0000159
Choline phosphate	TF9	184.0733	11.3	HMDB0001565
Pipecolic acid	QI17690	130.0863	7.93	HMDB0000070
Pro-Gly	QI18467	173.0922	8.43	HMDB0011178
Proline	QI17905	116.0708	8.05	HMDB0000162
Proline betaine	QI19761	144.102	9.19	HMDB0004827
Putrescine	QI20010	89.1073	9.33	HMDB0001414
Symmetric dimethyl-arginine	TF10	203.1503	9.56	HMDB0003334
Serine	QI16883	106.0499	7.58	HMDB0000187
Taurine	QI13482	126.0222	6.01	HMDB0000251
Thiamine	QI20341	265.1116	9.67	HMDB0000235
Threonine	QI16632	120.0658	7.5	HMDB0000167
Trigonelline	QI19130	138.055	8.82	HMDB0000875
Trimethylamine N-oxide	QI17985	76.0757	8.08	HMDB0000925
Tryptophan	TF11	205.0972	6.45	HMDB0000929
Tyrosine	TF12	182.0812	6.75	HMDB0000158
Valine	TF13	118.0863	7.36	HMDB0000883
LPC(14:0)	QI17622	468.3083	7.88	HMDB0010379
LPC(16:1)	QI17463	494.3243	7.79	HMDB0010383
LPC(0:0/16:0)	QI17343	496.3398	7.74	HMDB0010382
LPC(18:3)	QI17345	518.3218	7.75	HMDB0010387
LPC(0:0/18:2)	QI17114	520.3397	7.71	HMDB0010386
LPC(18:1)	QI17232	522.3552	7.67	HMDB0002815
LPC(18:0)	QI17115	524.3711	7.62	HMDB0010384
LPC(20:3)	QI17184	546.354	7.63	HMDB0010394
LPC(20:1)	QI17037	550.3873	7.57	HMDB0010391
LPC(24:0)	QI16251	608.465	7.35	HMDB0010405
LPC(P-16:0)/LPC(O-16:1)	QI17071	480.3445	7.58	HMDB0010407
LPC(P-18:0)/LPC(O-18:1)_a	QI17465	508.3759	7.78	HMDB0013122
LPC(P-18:0)/LPC(O-18:1)	QI16679	508.3763	7.48	HMDB0013122
LPE(16:0)	QI13987	454.2926	6.26	HMDB0011503
LPE(18:2)	QI13770	478.2928	6.25	HMDB0011507
LPE(18:1)	QI13901	480.3088	6.22	HMDB0011506
LPE(18:0)_a	QI13829	482.3241	6.2	HMDB0011130
LPE(18:0)	QI17496	482.3243	7.8	HMDB0011130
LPE(20:0)	QI17263	510.3555	7.67	HMDB0011511
PC(30:0)	QI14878	706.5371	6.7	HMDB0007869
PC(32:2)	QI14778	730.5374	6.66	HMDB0007874
PC(34:3)	QI14682	756.5519	6.62	HMDB0008006
PC(P-34:2)/PC(O-34:3)	QI14565	742.5734	6.56	HMDB0011211
PC(P-36:4)/PC(O-36:5)	QI14411	766.573	6.47	HMDB0011220
PC(P-38:6)/PC(O-38:7)	QI14398	790.5729	6.45	HMDB0011229
PC(P-38:5)/PC(O-38:6)	QI14456	792.588	6.52	HMDB0011319
PE(34:2)	QI12583	716.5215	5.48	HMDB0008928
PE(34:0)	QI14830	720.5532	6.68	HMDB0008925
PE(36:4)	QI12475	740.5219	5.42	HMDB0008937
PE(36:2)	QI12521	744.553	5.46	HMDB0008994
PE(38:6)	QI12426	764.5208	5.41	HMDB0009102
PE(38:4)	QI12394	768.5519	5.39	HMDB0009003
PE(40:6)	QI12348	792.552	5.37	HMDB0009012
PE(P-34:2)/PE(O-34:3)	QI12507	700.5264	5.44	HMDB0011343
PE(P-34:1)/PE(O-34:2)	QI12489	702.5418	5.5	HMDB0008952
PE(P-36:4)/PE(O-36:5)	QI12369	724.5266	5.37	HMDB0011410
PE(P-36:2)/PE(O-36:3)	QI12423	728.5576	5.42	HMDB0011441
PE(P-38:6)/PE(O-38:7)	QI12334	748.5257	5.35	HMDB0011420
PE(P-38:5)/PE(O-38:6)	QI12305	750.5411	5.42	HMDB0011387
PE(P-38:4)/PE(O-38:5)	QI12306	752.5565	5.34	HMDB0011386
PE(P-40:6)/PE(O-40:7)	QI12257	776.5571	5.33	HMDB0011394
Sphinganine	QI13072	302.305	5.79	HMDB0000269
Cer(d18:1/16:0)	QI4088	538.5196	1.85	HMDB0004949
METABOLITES_END
#END