Table S1: Complete list of all identified metabolites in serum-shocked U2OS.																					
"All values are normalized (meanąSEM). Rhythmic compounds are indicated in red color. Abbr.: RI: retention index, HMDB: identification numbers of biochemicals in Human Metabolome Database, PT-p: p-values computed with the permutation test as described in Methods, Per: Period, LAG: peak phases, Amp: amplitude of oscillation, defined as the maximum divided by the minimum level of a particular biochemical in the first 24hrs of the experiment. Phase: Phase of the peak for rhythmic biochemicals."																					
																					
																					
BIOCHEMICAL	PATHWAY	PLATFORM	RI	MASS	HMDB_ID	PT-p	PER	LAG	AMP	Post- Schock (hours)											
										12		16		20		24		28		32	
										mean	sem	mean	sem	mean	sem	mean	sem	mean	sem	mean	sem
10-heptadecenoate (17:1n7)	Lipid	LC/MS Neg	5558	267.3		1.0000	24	13	0.08	0.85	0.11	1.15	0.11	0.88	0.05	1.07	0.04	2.70	0.01	0.47	0.02
10-nonadecenoate (19:1n9)	Lipid	LC/MS Neg	5775	295.4		1.0000	24	13	0.06	0.84	0.10	1.16	0.14	0.92	0.06	1.03	0.02	1.91	0.13	0.53	0.04
1-arachidonoylglycerophosphoethanolamine*	Lipid	LC/MS Neg	5731	500.3	HMDB11517	1.0000	24	15	0.05	1.27	0.41	1.29	0.36	0.83	0.24	1.43	0.53	2.42	0.02	0.67	0.14
1-methylnicotinamide	Cofactors and vitamins	LC/MS Pos	688	137.1	HMDB00699	0.0009	24	2	0.34	1.38	0.07	1.24	0.03	0.97	0.11	0.75	0.06	0.46	0.06	1.04	0.11
1-myristoylglycerophosphocholine	Lipid	LC/MS Pos	5481	468.3	HMDB10379	0.5770	24	0	0.29	1.05	0.37	1.00	0.03	0.75	0.07	0.82	0.14	0.68	0.00	1.37	0.05
1-octadecanol	Lipid	GC/MS	1957.7	327.3	HMDB02350	1.0000	24	11	0.00	1.08	0.37	1.22	0.03	0.92	0.10	0.78	0.20	1.81	0.38	0.69	0.17
1-oleoylglycerol (1-monoolein)	Lipid	GC/MS	2181.2	397.4	HMDB11567	1.0000	24	11	0.22	0.68	0.00	1.31	0.12	1.05	0.17	0.71	0.42	3.69	1.35	0.39	0.24
1-oleoylglycerophosphocholine	Lipid	LC/MS Pos	5700	522.4		0.2485	24	0	0.09	1.52	0.40	0.95	0.12	0.87	0.07	0.51	0.05	3.47	0.30	1.00	0.00
1-oleoylglycerophosphoethanolamine	Lipid	LC/MS Neg	5928	478.3	HMDB11506	1.0000	24	17	0.32	1.54	0.86	1.28	0.68	0.61	0.03	1.66	0.34	2.74	0.09	0.48	0.17
1-palmitoylglycerol (1-monopalmitin)	Lipid	GC/MS	2119.5	371.3		1.0000	24	11	0.24	0.66	0.25	1.25	0.16	1.11	0.26	1.04	0.24	2.30	0.90	0.51	0.03
1-palmitoylglycerophosphocholine	Lipid	LC/MS Pos	5671	496.4		0.2485	24	0	0.19	1.69	0.55	1.12	0.18	0.85	0.02	0.61	0.15	3.98	0.01	1.00	0.00
1-palmitoylglycerophosphoethanolamine	Lipid	LC/MS Neg	5940	452.3	HMDB11503	1.0000	24	17	0.21	1.18	0.43	1.06	0.57	0.55	0.11	1.20	0.20	1.98	0.13	0.49	0.05
1-stearoylglycerol (1-monostearin)	Lipid	GC/MS	2186.6001	399.4		0.6640	24	13	0.41	0.65	0.41	1.26	0.45	0.84	0.10	1.30	0.00	2.28	0.51	0.64	0.07
1-stearoylglycerophosphocholine	Lipid	LC/MS Pos	5844	524.4		0.2485	24	0	0.33	3.31	2.29	1.32	0.33	0.77	0.07	0.56	0.00	2.21	0.14	1.15	0.30
1-stearoylglycerophosphoethanolamine	Lipid	LC/MS Neg	6200	480.4	HMDB11130	1.0000	24	11	0.19	1.50	1.00	1.18	0.58	0.53	0.12	1.61	0.26	1.55	0.14	0.35	0.02
1-stearoylglycerophosphoglycerol	Lipid	LC/MS Neg	5826	511.4		1.0000	24	17	0.09	0.62	0.20	0.83	0.21	1.24	0.21	0.35	0.00	2.56	0.02	0.77	0.23
1-stearoylglycerophosphoinositol	Lipid	LC/MS Neg	5800	599.4		1.0000	24	15	0.32	1.03	0.42	1.00	0.04	0.50	0.12	1.34	0.00	7.70	0.11	0.43	0.09
2-aminoadipate	Amino acid	GC/MS	1686.5	260.1	HMDB00510	0.0730	24	4	0.45	0.94	0.11	1.38	0.12	1.32	0.30	0.61	0.01	0.14	0.01	1.60	0.62
2-arachidonoylglycerophosphocholine*	Lipid	LC/MS Pos	5524	544.3		1.0000	24	13	0.07	0.95	0.10	0.82	0.06	1.09	0.14	0.93	0.17	3.26	0.44	0.76	0.01
2-arachidonoylglycerophosphoethanolamine*	Lipid	LC/MS Pos	5525	502.3		1.0000	24	11	0.01	1.20	0.18	0.99	0.05	1.05	0.08	0.71	0.13	3.68	0.63	0.85	0.05
2'-deoxyinosine	Nucleotide	LC/MS Neg	1700	251.1	HMDB00071	0.3533	24	7	0.08	0.93	0.04	1.23	0.22	1.07	0.16	1.21	0.22	0.87	0.00	1.01	0.14
2-docosahexaenoylglycerophosphocholine*	Lipid	LC/MS Pos	5507	568.3		1.0000	24	15	0.02	1.48	0.61	1.09	0.53	0.96	0.01	0.85	0.29	2.54	0.79	0.89	0.11
2-docosahexaenoylglycerophosphoethanolamine*	Lipid	LC/MS Pos	5512	526.2		1.0000	24	13	0.10	0.93	0.04	1.06	0.03	1.00	0.17	0.85	0.32	3.47	0.62	0.75	0.04
2-docosapentaenoylglycerophosphoethanolamine*	Lipid	LC/MS Pos	5548	528.2		1.0000	24	11	0.06	1.38	0.31	1.19	0.29	1.20	0.37	0.43	0.01	3.47	0.76	0.82	0.10
2-hydroxyglutarate	Lipid	GC/MS	1576	247	HMDB00606	0.1702	24	5	0.33	0.92	0.00	1.40	0.40	1.35	0.26	0.60	0.02	0.42	0.00	1.17	0.03
2-hydroxypalmitate	Lipid	LC/MS Neg	5508	271.3		0.0044	24	21	0.53	1.67	0.75	0.83	0.25	0.51	0.02	0.90	0.01	1.31	0.02	1.63	0.16
2-hydroxystearate	Lipid	LC/MS Neg	5705	299.4		0.0730	24	21	0.57	1.76	0.86	0.73	0.28	0.53	0.06	0.96	0.04	1.44	0.04	1.51	0.11
2-linoleoylglycerophosphocholine*	Lipid	LC/MS Pos	5544	520.4		0.0592	24	18	0.14	0.80	0.26	0.89	0.02	0.93	0.03	0.77	0.23	2.27	0.46	1.25	0.15
2-linoleoylglycerophosphoethanolamine*	Lipid	LC/MS Neg	5650	476.4		1.0000	24	17	0.07	1.00	0.41	0.96	0.45	0.62	0.10	1.15	0.15	2.09	1.58	0.69	0.18
2-methylbutyroylcarnitine	Amino acid	LC/MS Pos	2439	246.1	HMDB00378	0.00004	24	4	0.66	1.55	0.12	1.69	0.03	1.18	0.20	0.69	0.19	0.33	0.03	1.00	0.02
2-myristoylglycerol (2-monomyristin)	Lipid	GC/MS	2040	285.2		1.0000	24	15	0.79	0.45	0.00	0.45	0.00	0.58	0.13	0.45	0.00	1.44	0.15	0.45	0.00
2-myristoylglycerophosphocholine*	Lipid	LC/MS Pos	5450	468.3		0.8804	24	20	0.07	1.01	0.00	0.97	0.03	0.96	0.06	0.68	0.23	3.37	0.74	1.14	0.18
2-oleoylglycerol (2-monoolein)	Lipid	GC/MS	2170	410.1		1.0000	24	11	0.16	0.37	0.00	2.21	0.11	0.94	0.15	0.82	0.09	3.79	1.85	0.57	0.19
2-oleoylglycerophosphocholine*	Lipid	LC/MS Pos	5640	522.4		1.0000	24	13	0.04	1.20	0.15	0.94	0.06	1.00	0.07	0.50	0.10	3.51	0.51	0.99	0.01
2-oleoylglycerophosphoethanolamine*	Lipid	LC/MS Pos	5625	480.2		1.0000	24	13	0.03	1.35	0.19	0.98	0.03	0.96	0.09	0.70	0.27	3.98	0.47	0.95	0.04
2-oleoylglycerophosphoinositol*	Lipid	LC/MS Neg	5571	597.5		1.0000	24	17	0.18	0.70	0.57	0.96	0.17	0.36	0.22	1.07	0.20	2.13	0.12	0.16	0.02
2'-O-methylguanosine	Nucleotide	LC/MS Neg	1901	296.2		1.0000	24	9	0.14	0.82	0.00	0.92	0.08	0.82	0.00	1.50	0.27	0.82	0.00	0.82	0.00
2-palmitoleoylglycerophosphocholine*	Lipid	LC/MS Pos	5482	494.3		1.0000	24	13	0.09	1.05	0.14	1.00	0.11	0.93	0.10	0.62	0.16	3.93	0.47	1.02	0.05
2-palmitoleoylglycerophosphoethanolamine*	Lipid	LC/MS Pos	5487	452.1		0.8804	24	20	0.23	1.01	0.12	0.85	0.04	1.01	0.21	0.49	0.28	4.48	1.22	1.15	0.04
2-palmitoylglycerol (2-monopalmitin)	Lipid	GC/MS	2108	129		0.8804	24	13	0.20	0.76	0.04	1.33	0.22	1.13	0.20	1.00	0.06	2.36	0.43	0.78	0.13
2-palmitoylglycerophosphocholine*	Lipid	LC/MS Pos	5604	496.3		0.8804	24	9	0.00	1.08	0.08	0.91	0.09	0.96	0.05	0.50	0.01	3.76	0.49	1.05	0.06
2-palmitoylglycerophosphoethanolamine*	Lipid	LC/MS Pos	5598	454.2		0.5770	24	19	0.00	0.92	0.25	0.83	0.17	0.66	0.00	0.66	0.00	2.94	0.17	0.69	0.03
3-(4-hydroxyphenyl)lactate	Amino acid	LC/MS Neg	1395	181.1	HMDB00755	0.0931	24	7	0.19	0.90	0.10	1.18	0.20	1.26	0.22	0.93	0.15	0.78	0.00	0.84	0.06
3-dehydrocarnitine*	Lipid	LC/MS Pos	1020	160.2	HMDB12154	0.4899	24	3	0.26	1.00	0.04	1.05	0.27	1.07	0.20	0.69	0.05	0.64	0.00	1.46	0.22
3'-dephosphocoenzyme A	Cofactors and vitamins	LC/MS Neg	2010	686.2	HMDB01373	1.0000	24	13	0.10	1.79	0.69	1.10	0.43	0.53	0.00	0.86	0.14	3.15	1.41	0.59	0.07
4-hydroxybutyrate (GHB)	Lipid	GC/MS	1277	233.1	HMDB00710	0.0214	24	8	0.46	0.71	0.27	1.09	0.09	1.34	0.27	1.20	0.22	0.44	0.00	0.62	0.18
5-methyltetrahydrofolate (5MeTHF)	Cofactors and vitamins	LC/MS Neg	1838	458.2	HMDB01396	1.0000	24	5	0.08	0.83	0.08	1.06	0.10	0.99	0.10	0.97	0.12	0.75	0.00	1.17	0.13
5-methylthioadenosine (MTA)	Amino acid	LC/MS Pos	2427	298.1	HMDB01173	0.0001	24	4	0.24	1.10	0.03	1.26	0.09	1.09	0.09	0.40	0.02	0.30	0.07	0.96	0.04
5-oxoproline	Amino acid	LC/MS Neg	744	128.2	HMDB00267	0.0021	24	4	0.48	1.61	0.29	1.47	0.22	1.30	0.18	0.72	0.09	0.22	0.04	0.84	0.04
6-phosphogluconate	Carbohydrate	LC/MS Neg	588	275.1	HMDB01316	0.4216	24	14	0.19	0.85	0.00	1.05	0.34	1.61	0.64	1.12	0.12	1.94	0.90	0.78	0.08
7-alpha-hydroxycholesterol	Lipid	GC/MS	2300	456.2	HMDB01496	0.8804	24	17	0.21	0.93	0.24	1.20	0.29	0.77	0.03	1.07	0.25	1.88	0.31	1.00	0.01
7-beta-hydroxycholesterol	Lipid	GC/MS	2340	456.4	HMDB06119	0.2485	24	5	0.18	1.10	0.04	1.42	0.03	1.27	0.33	0.85	0.08	1.10	0.36	0.89	0.01
acetyl CoA	Cofactors and vitamins	LC/MS Neg	1900	808.1	HMDB01206	1.0000	24	15	0.03	0.73	0.07	0.98	0.12	0.88	0.01	1.38	0.12	0.65	0.00	1.71	0.06
acetylcarnitine	Lipid	LC/MS Pos	1203	204.2	HMDB00201	0.4899	24	2	0.36	1.01	0.01	1.11	0.11	0.97	0.17	0.51	0.03	0.25	0.08	1.52	0.02
acetylphosphate	Energy	GC/MS	1263	211	HMDB01494	1.0000	24	9	0.01	0.84	0.26	1.40	0.05	0.85	0.14	1.16	0.20	1.05	0.04	0.91	0.06
adenine	Nucleotide	GC/MS	1804.2	264	HMDB00034	0.0004	24	4	0.38	1.15	0.15	1.26	0.04	1.11	0.04	0.32	0.03	0.11	0.03	0.88	0.12
adenosine	Nucleotide	LC/MS Pos	1650	268.1	HMDB00050	1.0000	24	13	0.08	0.80	0.03	1.06	0.11	0.92	0.20	1.01	0.06	1.20	0.04	0.86	0.19
adenosine 3'-monophosphate (3'-AMP)	Nucleotide	LC/MS Neg	1268	346.1	HMDB03540	0.5770	24	16	0.17	0.90	0.10	0.90	0.07	0.86	0.05	1.59	0.25	3.00	1.01	0.81	0.00
adenosine 5'-diphosphate (ADP)	Nucleotide	LC/MS Neg	800	426.1	HMDB01341	1.0000	24	9	0.08	0.89	0.14	1.00	0.10	0.93	0.17	0.90	0.10	0.15	0.00	1.23	0.04
adenosine 5'diphosphoribose	Cofactors and vitamins	LC/MS Neg	964	558.1	HMDB01178	1.0000	24	17	0.65	0.77	0.00	0.77	0.00	0.77	0.00	0.77	0.00	1.00	0.23	0.77	0.00
adenosine 5'-monophosphate (AMP)	Nucleotide	LC/MS Pos	1210	348.1	HMDB00045	0.1702	24	3	0.17	1.09	0.05	1.08	0.07	0.86	0.13	0.79	0.06	0.54	0.09	1.17	0.04
adenylosuccinate	Nucleotide	LC/MS Pos	1870	464.1	HMDB00536	1.0000	24	7	0.08	0.28	0.02	0.87	0.44	1.13	0.13	0.26	0.00	0.41	0.15	1.26	0.03
adrenate (22:4n6)	Lipid	LC/MS Neg	5684	331.3	HMDB02226	1.0000	24	15	0.14	0.95	0.23	1.05	0.19	0.79	0.10	1.16	0.05	2.19	0.04	0.54	0.00
agmatine	Amino acid	GC/MS	1528	174	HMDB01432	0.6640	24	2	0.68	1.60	1.10	0.83	0.03	1.47	0.33	0.30	0.03	0.27	0.00	1.70	0.32
alanine	Amino acid	GC/MS	1147.6	115.9	HMDB00161	0.4899	24	7	0.11	1.05	0.11	1.07	0.15	1.17	0.23	1.13	0.07	0.46	0.07	0.96	0.12
alanylleucine	Peptide	LC/MS Pos	2150	203		0.6640	24	13	0.48	0.71	0.03	1.19	0.14	0.91	0.45	5.73	4.78	6.62	2.19	0.40	0.08
alanylthreonine	Peptide	LC/MS Neg	827	189		0.3009	24	16	1.28	0.11	0.00	0.11	0.00	0.13	0.02	0.56	0.44	1.16	0.12	0.11	0.00
allantoin	Nucleotide	GC/MS	1809.8	518.3	HMDB00462	0.8804	24	1	0.12	1.40	0.82	0.63	0.12	1.46	0.85	0.51	0.00	0.51	0.00	1.67	0.42
alpha-tocopherol	Cofactors and vitamins	GC/MS	2305.3999	502.5	HMDB01893	0.3009	24	2	0.25	1.30	0.24	1.28	0.12	0.92	0.00	0.49	0.08	0.98	0.57	0.68	0.26
arachidonate (20:4n6)	Lipid	LC/MS Neg	5525	303.4	HMDB01043	1.0000	24	15	0.00	1.00	0.00	1.03	0.00	0.84	0.03	1.05	0.14	2.30	0.07	0.51	0.03
arginine	Amino acid	LC/MS Neg	728	173.2	HMDB00517	0.0272	24	10	0.34	0.82	0.07	1.13	0.10	1.00	0.44	1.40	0.03	1.03	0.05	0.52	0.10
asparagine	Amino acid	GC/MS	1651.2	231	HMDB00168	0.0272	24	4	0.30	1.21	0.04	1.20	0.32	1.10	0.02	0.40	0.12	0.04	0.00	1.21	0.29
aspartate	Amino acid	GC/MS	1529.7	232	HMDB00191	0.0272	24	4	0.15	1.09	0.06	1.15	0.10	1.00	0.06	0.54	0.03	0.07	0.01	1.13	0.17
aspartylphenylalanine	Peptide	LC/MS Pos	2538	281.1	HMDB00706	1.0000	24	9	0.10	0.90	0.12	1.21	0.05	1.49	0.85	0.86	0.13	1.54	0.43	0.54	0.16
beta-alanine	Amino acid	GC/MS	1451.8	174	HMDB00056	0.0454	24	4	0.25	1.53	0.65	1.82	0.57	0.82	0.18	0.71	0.19	0.07	0.00	1.18	0.11
betaine	Amino acid	LC/MS Pos	721	118.2	HMDB00043	0.0156	24	4	0.41	1.34	0.06	1.21	0.10	1.11	0.30	0.73	0.07	0.37	0.01	1.00	0.06
butyrylcarnitine	Lipid	LC/MS Pos	2007	232.2	HMDB02013	1.0000	24	7	0.12	0.90	0.07	1.15	0.13	2.01	0.85	0.50	0.08	0.87	0.06	2.75	0.00
caprate (10:0)	Lipid	LC/MS Neg	5092	171.2	HMDB00511	0.3533	24	13	0.19	0.79	0.03	1.05	0.01	0.87	0.08	1.14	0.06	3.29	0.14	0.81	0.10
caprylate (8:0)	Lipid	LC/MS Neg	4367	143.2	HMDB00482	1.0000	24	11	0.05	0.60	0.00	0.97	0.23	0.81	0.18	0.80	0.20	1.97	1.38	0.81	0.21
carnitine	Lipid	LC/MS Pos	702	162.2	HMDB00062	0.4899	24	4	0.14	1.00	0.02	1.10	0.01	0.96	0.17	0.76	0.12	0.40	0.02	1.27	0.02
C-glycosyltryptophan*	Amino acid	LC/MS Pos	1912	367.1		1.0000	24	7	0.06	0.96	0.03	1.17	0.17	0.90	0.11	1.02	0.29	0.55	0.00	1.15	0.10
cholesterol	Lipid	GC/MS	2316.8999	329.3	HMDB00067	1.0000	24	17	0.03	0.84	0.03	1.10	0.03	0.91	0.10	0.99	0.01	2.10	0.27	0.96	0.16
choline	Lipid	LC/MS Pos	674	104.2	HMDB00097	1.0000	24	7	0.09	1.19	0.01	1.14	0.14	0.99	0.09	0.80	0.05	1.16	0.17	0.82	0.03
choline phosphate	Lipid	LC/MS Pos	695	184.1	HMDB01565	0.0085	24	3	0.24	1.71	0.00	1.48	0.01	1.25	0.21	0.87	0.06	0.84	0.00	0.92	0.04
cis-vaccenate (18:1n7)	Lipid	GC/MS	1987	339.3		1.0000	24	13	0.10	0.73	0.19	1.13	0.12	0.84	0.18	1.09	0.11	2.19	0.42	0.47	0.06
citrate	Energy	GC/MS	1763.4	273.1	HMDB00094	1.0000	24	15	0.09	0.64	0.10	1.30	0.32	0.96	0.02	0.82	0.19	1.52	0.28	1.69	0.09
coenzyme A	Cofactors and vitamins	LC/MS Neg	1600	766.1	HMDB01423	0.4899	24	5	0.18	1.23	0.20	1.31	0.09	0.81	0.01	1.30	0.15	0.48	0.08	0.78	0.19
creatine	Amino acid	LC/MS Pos	758	132.1	HMDB00064	0.0021	24	3	0.27	1.23	0.06	1.16	0.05	1.00	0.07	0.62	0.02	0.60	0.05	0.99	0.07
cyclo(gly-phe)	Peptide	GC/MS	1830	257		0.0454	24	11	0.46	0.59	0.04	1.28	0.19	1.34	0.58	1.83	0.36	0.91	0.21	0.67	0.25
cystathionine	Amino acid	GC/MS	1979.6	218.1	HMDB00099	0.0004	24	5	0.44	1.07	0.01	1.73	0.13	1.22	0.12	0.67	0.05	0.45	0.08	0.89	0.05
cysteine	Amino acid	GC/MS	1560.1	218	HMDB00574	0.0454	24	6	0.25	1.00	0.04	1.44	0.21	1.22	0.38	1.00	0.12	0.17	0.02	0.90	0.17
cysteine sulfinic acid	Amino acid	GC/MS	1662	252	HMDB00996	0.0044	24	6	0.30	0.93	0.12	1.59	0.64	1.34	0.05	1.00	0.23	0.62	0.00	0.67	0.05
cysteinylglycine	Peptide	GC/MS	1763	257	HMDB00078	0.0021	24	4	0.36	1.26	0.07	1.29	0.18	1.00	0.02	0.55	0.01	0.11	0.01	1.08	0.13
cytidine	Nucleotide	LC/MS Pos	1065	244	HMDB00089	1.0000	24	13	0.67	0.55	0.05	1.68	0.94	0.85	0.40	2.14	0.29	6.98	0.17	0.36	0.09
cytidine 5'-diphosphocholine	Lipid	LC/MS Pos	777	489.1	HMDB01413	0.0001	24	4	0.32	1.17	0.02	1.26	0.08	1.00	0.06	0.69	0.01	0.68	0.00	0.77	0.09
cytidine 5'-monophosphate (5'-CMP)	Nucleotide	LC/MS Pos	887	324	HMDB00095	0.8804	24	3	0.11	1.08	0.00	1.27	0.29	0.85	0.17	0.98	0.17	0.76	0.16	0.92	0.12
cytidine-5'-diphosphoethanolamine	Lipid	LC/MS Pos	765	447	HMDB01564	0.2485	24	4	0.05	1.01	0.03	1.00	0.01	1.04	0.13	0.62	0.01	0.61	0.00	1.02	0.00
deoxycarnitine	Lipid	LC/MS Pos	759	146.1	HMDB01161	0.6640	24	7	0.12	1.00	0.09	1.12	0.04	0.91	0.06	0.81	0.22	0.56	0.08	1.47	0.10
dihomo-linoleate (20:2n6)	Lipid	LC/MS Neg	5722	307.3		1.0000	24	15	0.10	0.86	0.14	1.13	0.13	0.82	0.12	1.15	0.12	2.49	0.08	0.52	0.00
dimethylarginine (SDMA + ADMA)	Amino acid	LC/MS Pos	812	203.2	"HMDB01539, HMDB03334"	0.2485	24	11	0.36	0.76	0.02	1.00	0.01	1.03	0.50	1.29	0.00	1.32	0.07	0.56	0.11
docosadienoate (22:2n6)	Lipid	LC/MS Neg	6017	335.4		1.0000	24	13	0.08	0.88	0.14	1.13	0.21	0.91	0.14	1.08	0.10	1.88	0.02	0.55	0.01
docosahexaenoate (DHA; 22:6n3)	Lipid	LC/MS Neg	5518	327.3	HMDB02183	1.0000	24	11	0.04	0.96	0.00	1.16	0.04	1.02	0.02	0.98	0.02	2.13	0.09	0.72	0.00
docosapentaenoate (n3 DPA; 22:5n3)	Lipid	LC/MS Neg	5574	329.4	HMDB01976	1.0000	24	11	0.00	0.97	0.06	1.13	0.05	0.95	0.08	0.95	0.02	2.04	0.03	0.50	0.01
eicosapentaenoate (EPA; 20:5n3)	Lipid	LC/MS Neg	5442	301.3	HMDB01999	1.0000	24	15	0.02	0.96	0.08	1.11	0.02	0.88	0.09	1.02	0.17	3.19	0.12	0.61	0.04
eicosenoate (20:1n9 or 11)	Lipid	LC/MS Neg	5955	309.4	HMDB02231	1.0000	24	13	0.07	0.89	0.17	1.11	0.17	0.84	0.10	1.10	0.04	1.92	0.04	0.53	0.02
erythronate*	Carbohydrate	GC/MS	1546.9	292.1	HMDB00613	0.1417	24	2	0.48	1.08	0.08	0.89	0.32	0.85	0.17	0.23	0.11	0.19	0.06	1.24	0.18
ethanolamine	Lipid	GC/MS	1074	102	HMDB00149	0.0272	24	4	0.65	1.29	0.39	1.30	0.04	1.52	0.08	0.45	0.06	0.15	0.03	1.00	0.03
flavin adenine dinucleotide (FAD)	Cofactors and vitamins	LC/MS Neg	2413	784.1	HMDB01248	0.8804	24	14	0.06	0.82	0.10	1.07	0.06	0.94	0.10	1.02	0.03	1.45	0.06	0.90	0.05
fumarate	Energy	GC/MS	1382.1	245	HMDB00134	0.6640	24	6	0.04	0.88	0.07	1.12	0.25	1.27	0.16	0.92	0.20	0.40	0.08	1.15	0.09
gamma-aminobutyrate (GABA)	Amino acid	GC/MS	1539.7	304.1	HMDB00112	0.0454	24	3	0.51	1.32	0.48	1.97	0.33	0.61	0.04	0.53	0.21	0.33	0.00	1.42	0.26
gamma-glutamylcysteine	Peptide	LC/MS Pos	1274	251.1	HMDB01049	0.0021	24	2	0.37	1.13	0.01	1.19	0.12	0.73	0.09	0.51	0.08	0.43	0.00	1.01	0.08
gamma-glutamylglutamate	Peptide	LC/MS Pos	1036	277.1		0.0730	24	3	0.85	1.77	0.02	1.43	0.41	1.27	0.77	0.41	0.19	0.37	0.00	1.22	0.24
gamma-glutamylisoleucine*	Peptide	LC/MS Pos	2644	261.2	HMDB11170	0.3533	24	2	0.28	1.01	0.09	1.09	0.07	0.97	0.00	0.65	0.02	0.63	0.00	1.48	0.19
gamma-glutamylleucine	Peptide	LC/MS Pos	2744	261.2	HMDB11171	1.0000	24	5	0.08	0.84	0.01	1.09	0.02	1.11	0.17	0.89	0.01	0.82	0.00	1.41	0.20
gamma-glutamylphenylalanine	Peptide	LC/MS Pos	2846	295.1	HMDB00594	1.0000	24	7	0.08	0.99	0.20	1.05	0.07	1.15	0.15	0.74	0.00	1.22	0.48	0.88	0.13
gamma-glutamylvaline	Peptide	LC/MS Pos	2040	247.2	HMDB11172	1.0000	24	7	0.01	0.84	0.06	1.09	0.18	1.00	0.09	0.99	0.11	0.77	0.00	1.76	0.06
glucose	Carbohydrate	GC/MS	1866.8	204.1	HMDB00122	0.0272	24	14	0.23	0.80	0.07	1.00	0.20	1.22	0.22	1.27	0.27	5.64	1.39	0.96	0.03
glucose 1-phosphate	Carbohydrate	GC/MS	1853	217.1	HMDB01586	0.4899	24	12	0.21	0.45	0.22	1.36	0.69	1.23	0.14	2.05	0.27	0.23	0.00	0.76	0.15
glutamate	Amino acid	LC/MS Pos	700	148.1	HMDB03339	0.0156	24	3	0.37	1.29	0.05	1.11	0.02	1.07	0.28	0.42	0.03	0.36	0.01	1.00	0.03
"glutamate, gamma-methyl ester"	Amino acid	LC/MS Pos	1062	162.1		0.4899	24	7	0.19	0.73	0.07	1.06	0.08	1.34	0.24	0.91	0.12	0.66	0.00	0.98	0.18
glutamine	Amino acid	GC/MS	1731.4	156	HMDB00641	0.0730	24	4	0.22	1.16	0.00	1.03	0.31	1.01	0.05	0.44	0.15	0.07	0.01	1.35	0.31
"glutathione, oxidized (GSSG)"	Amino acid	LC/MS Pos	1535	613.1	HMDB03337	0.00004	24	4	0.37	1.23	0.14	1.42	0.16	1.13	0.09	0.66	0.07	0.39	0.12	0.87	0.10
"glutathione, reduced (GSH)"	Amino acid	LC/MS Pos	1274	308.1	HMDB00125	0.00004	24	4	0.32	1.19	0.05	1.28	0.07	1.03	0.04	0.69	0.00	0.14	0.02	0.95	0.07
glycerol 3-phosphate (G3P)	Lipid	GC/MS	1719.7	357.1	HMDB00126	0.0156	24	22	0.28	1.88	0.04	0.96	0.09	0.93	0.28	0.80	0.05	0.91	0.04	3.83	1.27
glycerophosphoethanolamine	Lipid	GC/MS	1906	357.1	HMDB00114	0.2485	24	1	0.90	1.57	0.24	0.56	0.41	0.91	0.12	0.24	0.11	0.13	0.00	3.06	1.16
glycerophosphorylcholine (GPC)	Lipid	LC/MS Pos	694	258.1	HMDB00086	0.0454	24	19	0.54	1.30	0.11	0.63	0.19	0.54	0.07	0.56	0.09	2.33	0.07	1.50	0.29
glycine	Amino acid	GC/MS	1166	101.9	HMDB00123	0.0156	24	4	0.21	1.12	0.07	1.11	0.14	1.07	0.04	0.67	0.09	0.18	0.02	1.02	0.13
glycylglycine	Peptide	GC/MS	1757.9	174	HMDB11733	0.2485	24	7	0.59	0.97	0.33	1.61	0.23	1.09	0.58	1.61	0.15	0.44	0.03	0.57	0.13
glycylisoleucine	Peptide	LC/MS Pos	2080	189.1		0.2485	24	13	0.65	0.54	0.03	1.19	0.40	1.04	0.57	2.00	0.79	1.96	0.12	0.49	0.13
glycylleucine	Peptide	LC/MS Pos	2236	189.1	HMDB00759	0.2485	24	13	0.69	0.51	0.03	1.18	0.47	1.06	0.53	2.36	1.07	2.09	0.15	0.52	0.16
glycylphenylalanine	Peptide	LC/MS Neg	2193	221.2		0.2485	24	13	0.46	0.59	0.06	1.26	0.40	0.91	0.35	2.42	1.29	1.93	0.08	0.54	0.16
glycylproline	Peptide	LC/MS Pos	1115	173.1	HMDB00721	0.7722	24	8	0.51	0.62	0.09	1.36	0.06	1.10	0.55	1.12	0.21	1.02	0.55	0.73	0.27
glycylserine	Peptide	GC/MS	1854	174.1	HMDB00678	0.1702	24	10	0.66	0.97	0.19	1.88	0.16	1.66	1.12	2.65	0.31	0.69	0.14	0.63	0.11
glycyltyrosine	Peptide	LC/MS Pos	1728	239.1		0.0454	24	14	0.65	0.46	0.11	1.05	0.53	1.00	0.20	1.78	0.47	1.76	0.10	0.45	0.21
glycylvaline	Peptide	LC/MS Pos	1572	175.1		0.1132	24	13	0.62	0.25	0.00	0.89	0.37	0.83	0.35	1.54	0.54	1.31	0.05	0.39	0.09
guanine	Nucleotide	GC/MS	1942.3	352.1	HMDB00132	0.0454	24	6	0.50	1.43	0.18	1.56	0.73	1.23	0.67	1.26	0.09	0.21	0.01	0.66	0.11
guanosine	Nucleotide	LC/MS Pos	1676	284	HMDB00133	0.0272	24	7	0.52	0.90	0.09	1.51	0.17	1.17	0.17	1.30	0.16	0.39	0.16	0.43	0.02
guanosine 5'- monophosphate (GMP)	Nucleotide	LC/MS Pos	1300	364		1.0000	24	13	0.18	0.90	0.07	1.11	0.07	0.78	0.00	1.29	0.15	1.25	0.10	0.64	0.12
guanosine 5'-diphospho-fucose	Nucleotide	LC/MS Neg	797	588.1		0.0454	24	6	0.16	0.94	0.12	1.08	0.08	1.04	0.04	0.88	0.15	0.73	0.00	0.88	0.04
histidine	Amino acid	LC/MS Neg	757	154.1	HMDB00177	0.0454	24	6	0.21	1.03	0.11	1.28	0.12	1.26	0.41	1.19	0.12	0.29	0.05	0.81	0.08
hypotaurine	Amino acid	GC/MS	1598.5	188	HMDB00965	0.0085	24	4	0.22	1.78	0.63	1.68	0.51	0.97	0.03	0.76	0.18	0.14	0.03	1.21	0.21
hypoxanthine	Nucleotide	LC/MS Neg	1313	135.1	HMDB00157	0.0454	24	6	0.26	1.34	0.23	1.30	0.29	1.09	0.30	1.05	0.06	0.41	0.06	0.85	0.11
inosine	Nucleotide	LC/MS Neg	1630	267.2		0.0009	24	6	0.41	1.07	0.06	1.34	0.05	1.14	0.15	0.89	0.15	0.34	0.08	0.64	0.06
inosine 5'-monophosphate (IMP)	Nucleotide	LC/MS Pos	1310	349	HMDB00175	0.0009	24	8	0.64	0.75	0.08	1.87	0.04	1.61	0.49	1.00	0.05	0.37	0.00	0.44	0.07
inositol 1-phosphate (I1P)	Lipid	GC/MS	2057.8	318.1	HMDB00213	1.0000	24	17	0.01	0.76	0.21	1.20	0.18	1.02	0.22	0.95	0.03	1.97	0.18	0.88	0.26
"Isobar: UDP-acetylglucosamine, UDP-acetylgalactosamine"	Carbohydrate	LC/MS Neg	661	606.1		0.1132	24	4	0.48	1.99	0.43	1.46	0.06	1.06	0.18	0.89	0.17	0.76	0.17	0.64	0.11
isobutyrylcarnitine	Amino acid	LC/MS Pos	1941	232.2	HMDB00736	0.0003	24	4	0.60	1.47	0.11	1.70	0.06	1.23	0.33	0.62	0.11	0.60	0.09	0.93	0.07
isoleucine	Amino acid	LC/MS Pos	1614	132.1	HMDB00172	0.0730	24	7	0.21	0.96	0.05	1.30	0.02	1.25	0.37	1.10	0.05	0.57	0.08	0.89	0.10
isovalerylcarnitine	Amino acid	LC/MS Pos	2533	246.2	HMDB00688	0.0004	24	4	0.51	1.46	0.16	1.49	0.03	0.99	0.13	0.60	0.09	0.51	0.00	0.86	0.02
lactate	Carbohydrate	GC/MS	1102.8	116.9	HMDB00190	0.0085	24	6	0.12	0.97	0.01	1.19	0.02	1.05	0.03	1.09	0.01	0.04	0.01	0.88	0.02
lactose	Carbohydrate	GC/MS	2134	204	HMDB00186	0.0454	24	7	0.87	0.92	0.04	2.29	0.05	1.78	0.74	2.22	0.60	0.19	0.05	0.46	0.03
laurate (12:0)	Lipid	LC/MS Neg	5288	199.3	HMDB00638	0.4899	24	13	0.15	0.80	0.00	1.09	0.08	1.07	0.08	1.06	0.12	5.00	0.37	0.96	0.02
leucine	Amino acid	LC/MS Pos	1674	132.2	HMDB00687	0.0454	24	8	0.26	0.98	0.06	1.33	0.03	1.23	0.40	1.22	0.05	0.88	0.07	0.80	0.12
leucylleucine	Peptide	LC/MS Pos	3012	245.1		0.5770	24	13	0.56	0.32	0.05	1.08	0.23	0.44	0.17	1.65	0.49	1.77	0.43	0.46	0.18
linoleate (18:2n6)	Lipid	LC/MS Neg	5533	279.3	HMDB00673	0.4899	24	13	0.36	0.78	0.10	1.10	0.06	0.84	0.11	1.25	0.05	3.17	0.09	0.59	0.01
linolenate [alpha or gamma; (18:3n3 or 6)]	Lipid	LC/MS Neg	5450	277.3	HMDB01388	0.4899	24	13	0.25	0.71	0.02	1.06	0.01	0.83	0.12	1.08	0.00	2.75	0.16	0.55	0.00
lysine	Amino acid	GC/MS	1836.7	317.2	HMDB00182	0.1702	24	6	0.38	0.92	0.30	1.58	0.27	1.06	0.47	1.65	0.17	0.23	0.00	0.66	0.12
malate	Energy	GC/MS	1502	233	HMDB00156	0.0085	24	5	0.38	1.00	0.02	1.31	0.09	1.34	0.05	0.73	0.02	0.14	0.00	1.06	0.09
margarate (17:0)	Lipid	GC/MS	1951.6	327.3	HMDB02259	1.0000	24	11	0.12	0.78	0.10	1.29	0.17	0.98	0.17	0.84	0.29	2.39	0.24	0.57	0.03
mead acid (20:3n9)	Lipid	LC/MS Neg	5642	305.4	HMDB10378	1.0000	24	15	0.18	0.94	0.19	1.00	0.13	0.68	0.06	1.25	0.10	2.02	0.09	0.71	0.02
methionine	Amino acid	LC/MS Pos	1252	150.1	HMDB00696	0.0454	24	8	0.27	0.98	0.06	1.27	0.07	1.25	0.43	1.15	0.02	0.69	0.06	0.82	0.14
methylphosphate	Nucleotide	GC/MS	1221	240.9		1.0000	24	13	0.01	0.66	0.00	1.14	0.19	1.14	0.00	0.88	0.01	1.07	0.26	1.13	0.09
myo-inositol	Lipid	GC/MS	1924.9	217	HMDB00211	0.1702	24	4	0.09	1.03	0.01	1.34	0.35	0.98	0.17	0.82	0.08	0.14	0.05	1.05	0.00
myristate (14:0)	Lipid	LC/MS Neg	5439	227.3	HMDB00806	0.4899	24	13	0.23	0.78	0.15	1.17	0.17	0.90	0.10	1.17	0.01	3.17	0.24	0.64	0.01
myristoleate (14:1n5)	Lipid	LC/MS Neg	5338	225.3	HMDB02000	1.0000	24	13	0.01	0.76	0.03	1.09	0.05	1.08	0.11	0.94	0.01	2.80	0.23	0.99	0.05
N1-methyladenosine	Nucleotide	LC/MS Pos	1356	282.1	HMDB03331	0.3009	24	7	0.20	0.81	0.05	1.14	0.10	0.93	0.29	1.12	0.12	0.64	0.00	0.70	0.06
N6-acetyllysine	Amino acid	LC/MS Pos	1134	189.1	HMDB00206	0.1702	24	8	0.26	0.93	0.08	1.30	0.14	1.24	0.60	1.19	0.19	0.91	0.12	0.58	0.09
N-acetylalanine	Amino acid	LC/MS Neg	882	130.1	HMDB00766	0.0272	24	6	0.24	1.05	0.13	1.22	0.18	1.03	0.18	0.92	0.08	0.67	0.00	0.83	0.16
N-acetylaspartate (NAA)	Amino acid	LC/MS Neg	620	174.1	HMDB00812	0.00001	24	4	0.36	1.14	0.09	1.31	0.04	1.04	0.01	0.72	0.02	0.31	0.00	0.86	0.11
N-acetyl-aspartyl-glutamate (NAAG)	Amino acid	LC/MS Pos	1563	305	HMDB01067	0.3533	24	5	0.01	0.96	0.01	1.13	0.03	1.00	0.03	0.93	0.11	0.31	0.05	1.09	0.07
N-acetylglutamate	Amino acid	GC/MS	1720.6	156	HMDB01138	0.1417	24	6	0.23	0.87	0.13	1.58	0.31	1.02	0.12	1.13	0.38	0.75	0.00	0.90	0.09
N-acetylmethionine	Amino acid	LC/MS Pos	2588	192.1	HMDB11745	0.1702	24	8	0.48	0.80	0.01	1.44	0.01	1.45	0.41	1.55	0.05	0.56	0.00	0.85	0.11
N-acetylserine	Amino acid	GC/MS	1526	218	HMDB02931	0.2485	24	7	0.15	0.83	0.16	1.11	0.11	1.17	0.12	0.99	0.09	0.26	0.07	0.98	0.19
N-acetylthreonine	Amino acid	LC/MS Neg	846	160.1		0.4899	24	2	0.04	1.19	0.18	0.98	0.00	1.04	0.08	1.02	0.23	0.79	0.00	1.05	0.08
n-Butyl Oleate	Lipid	GC/MS	2045	265.3		0.3009	24	16	0.25	0.65	0.06	0.99	0.40	0.93	0.31	0.96	0.11	2.21	0.20	0.81	0.19
N-formylmethionine	Amino acid	LC/MS Neg	1541	176.1	HMDB01015	0.0085	24	6	0.14	1.02	0.23	1.30	0.00	1.07	0.12	0.97	0.08	0.79	0.00	0.86	0.00
nicotinamide	Cofactors and vitamins	LC/MS Pos	1267	123.1	HMDB01406	0.1702	24	5	0.13	1.00	0.09	1.18	0.08	1.12	0.17	0.89	0.12	0.35	0.02	1.04	0.06
nicotinamide adenine dinucleotide (NAD+)	Cofactors and vitamins	LC/MS Pos	1370	664	HMDB00902	0.1132	24	4	0.07	1.03	0.04	1.29	0.28	0.98	0.05	0.65	0.18	0.07	0.00	1.24	0.03
nicotinamide adenine dinucleotide phosphate (NADP+)	Cofactors and vitamins	LC/MS Pos	1330	743.9	HMDB00217	0.0009	24	5	0.26	1.06	0.00	1.50	0.02	1.06	0.12	0.80	0.01	0.69	0.00	0.76	0.07
nicotinamide adenine dinucleotide reduced (NADH)	Cofactors and vitamins	LC/MS Neg	1554	664.1	HMDB01487	0.3533	24	3	0.29	0.94	0.13	1.26	0.33	0.90	0.20	0.66	0.05	0.61	0.00	1.34	0.03
oleate (18:1n9)	Lipid	GC/MS	1984.4	339.2	HMDB00207	1.0000	24	11	0.16	0.72	0.12	1.23	0.03	0.84	0.23	1.05	0.13	2.13	0.36	0.49	0.04
oleoylcarnitine	Lipid	LC/MS Pos	5202	426.4	HMDB05065	0.5770	24	1	0.43	1.00	0.16	1.02	0.27	1.72	0.72	0.22	0.04	0.45	0.27	7.25	2.04
ornithine	Amino acid	GC/MS	1763.8	141.9	HMDB03374	0.1702	24	6	0.08	0.82	0.17	1.52	0.23	1.02	0.01	1.77	0.07	0.51	0.25	0.91	0.01
palmitate (16:0)	Lipid	LC/MS Neg	5619	255.3	HMDB00220	0.8804	24	13	0.30	0.91	0.19	1.01	0.11	0.78	0.01	1.23	0.09	2.32	0.05	0.59	0.01
palmitoleate (16:1n7)	Lipid	LC/MS Neg	5477	253.3	HMDB03229	0.8804	24	13	0.19	0.76	0.07	1.14	0.08	0.84	0.10	1.10	0.01	2.97	0.15	0.45	0.01
palmitoyl sphingomyelin	Lipid	GC/MS	2524	311.3		1.0000	24	13	0.08	0.72	0.08	1.08	0.03	0.93	0.16	0.97	0.10	1.59	0.33	0.83	0.13
pantothenate	Cofactors and vitamins	LC/MS Pos	2218	220.1	HMDB00210	0.1702	24	8	0.32	0.61	0.02	1.18	0.18	2.14	0.27	0.66	0.00	0.44	0.00	1.19	0.14
pelargonate (9:0)	Lipid	LC/MS Neg	4847	157.2	HMDB00847	0.8804	24	13	0.06	0.77	0.03	1.06	0.05	0.93	0.10	0.98	0.08	3.16	0.16	0.86	0.12
pentadecanoate (15:0)	Lipid	GC/MS	1853.5	299.2	HMDB00826	1.0000	24	17	0.15	1.01	0.75	0.68	0.42	0.82	0.56	0.71	0.20	1.32	0.06	0.57	0.13
phenylacetylglycine	Amino acid	LC/MS Neg	2377	192.1	HMDB00821	0.0730	24	4	0.44	1.07	0.20	1.15	0.13	1.26	0.32	0.57	0.02	0.55	0.00	1.02	0.04
phenylalanine	Amino acid	LC/MS Pos	2056	166.1	HMDB00159	0.1132	24	7	0.15	0.95	0.04	1.22	0.05	1.14	0.31	1.06	0.01	0.57	0.06	0.87	0.13
phosphate	Energy	LC/MS Neg	627	195	HMDB01429	0.8804	24	13	0.11	0.91	0.06	1.08	0.06	0.91	0.05	1.11	0.07	2.69	0.31	0.85	0.03
phosphoethanolamine	Lipid	GC/MS	1577.3	299.1	HMDB00224	0.1702	24	5	0.43	1.22	0.11	1.28	0.00	1.13	0.25	0.65	0.15	0.14	0.03	0.89	0.48
pro-hydroxy-pro	Peptide	LC/MS Pos	960	229.2	HMDB06695	1.0000	24	5	0.30	0.62	0.09	0.96	0.08	1.14	0.04	0.52	0.00	0.52	0.00	1.06	0.10
proline	Amino acid	LC/MS Pos	796	116.1	HMDB00162	0.0272	24	4	0.18	1.12	0.05	1.08	0.11	1.05	0.03	0.61	0.02	0.29	0.00	1.06	0.08
prolylleucine	Peptide	LC/MS Pos	2334	229.2		0.3533	24	11	0.24	0.82	0.07	1.43	0.44	1.29	0.69	2.15	1.14	1.18	0.16	0.56	0.21
propionylcarnitine	Lipid	LC/MS Pos	1589	218.2	HMDB00824	0.0454	24	4	0.16	1.02	0.04	1.15	0.01	0.93	0.18	0.74	0.14	0.44	0.10	1.14	0.13
pseudouridine	Nucleotide	LC/MS Neg	1104	243.1	HMDB00767	0.1132	24	6	0.55	0.81	0.01	1.49	0.04	1.00	0.16	1.83	0.22	0.34	0.00	0.36	0.02
putrescine	Amino acid	GC/MS	1705.8	174	HMDB01414	0.0009	24	2	0.34	2.67	1.37	2.14	0.87	0.88	0.02	0.84	0.01	0.08	0.03	1.15	0.05
pyroglutamine*	Amino acid	LC/MS Pos	764	129.2		0.0363	24	0	0.61	1.35	0.35	1.15	0.19	0.70	0.15	0.43	0.12	0.86	0.55	1.63	0.19
pyrophosphate (PPi)	Energy	GC/MS	1642.3	451	HMDB00250	0.2485	24	13	0.21	0.46	0.19	1.10	0.23	0.87	0.28	1.44	0.31	1.10	0.09	0.91	0.07
pyruvate	Carbohydrate	GC/MS	1130.6	217	HMDB00243	1.0000	24	5	0.12	1.00	0.02	1.29	0.20	0.99	0.48	1.29	0.39	0.70	0.21	1.07	0.42
ribitol	Carbohydrate	GC/MS	1692.4	217	HMDB00508	0.0272	24	4	0.25	0.91	0.14	1.31	0.23	1.00	0.04	0.69	0.06	0.63	0.00	1.16	0.43
ribose	Carbohydrate	GC/MS	1639.2	204	HMDB00283	0.1417	24	6	0.44	1.43	0.43	1.51	0.12	1.65	0.90	0.74	0.09	0.95	0.36	0.61	0.01
ribulose	Carbohydrate	GC/MS	1662	306.1	"HMDB00621, HMDB03371"	0.0592	24	6	0.25	1.28	0.14	1.28	0.31	1.13	0.44	0.89	0.11	0.70	0.00	0.71	0.01
S-adenosylhomocysteine (SAH)	Amino acid	LC/MS Pos	1480	385.1	HMDB00939	0.0454	24	7	0.25	0.97	0.06	1.34	0.01	1.30	0.36	1.31	0.01	0.71	0.02	0.94	0.03
scyllo-inositol	Lipid	GC/MS	1893.8	318.2	HMDB06088	0.0021	24	3	0.70	1.83	0.02	1.59	0.07	1.00	0.02	0.54	0.01	0.10	0.05	1.19	0.27
serine	Amino acid	GC/MS	1389.1	204	HMDB03406	0.0730	24	6	0.20	1.03	0.07	1.36	0.18	1.29	0.47	1.06	0.15	0.22	0.02	0.84	0.20
sorbitol	Carbohydrate	GC/MS	1843	319.1	HMDB00247	0.0454	24	3	0.50	1.10	0.37	1.19	0.19	0.86	0.14	0.41	0.07	0.16	0.00	1.20	0.17
spermidine	Amino acid	LC/MS Pos	533	146.2	HMDB01257	0.0156	24	4	0.16	1.03	0.05	1.17	0.02	1.00	0.05	0.79	0.07	0.55	0.02	1.13	0.11
sphinganine	Lipid	LC/MS Pos	5175	302.3	HMDB00269	0.1702	24	19	0.26	1.00	0.01	0.83	0.22	0.84	0.14	0.58	0.29	2.38	0.08	1.53	0.32
sphingosine	Lipid	LC/MS Pos	5197	300.2	HMDB00252	0.0730	24	20	0.35	1.00	0.03	0.86	0.18	0.69	0.14	0.65	0.29	2.86	0.07	1.30	0.23
stearate (18:0)	Lipid	LC/MS Neg	5886	283.4	HMDB00827	1.0000	24	15	0.14	0.92	0.21	1.05	0.12	0.75	0.04	1.16	0.08	1.97	0.10	0.57	0.01
stearoyl sphingomyelin	Lipid	GC/MS	2645	311.3	HMDB01348	0.2485	24	12	0.23	0.74	0.29	0.95	0.07	1.01	0.21	1.48	0.34	1.36	0.39	0.71	0.11
succinate	Energy	GC/MS	1348	247	HMDB00254	0.0454	24	5	0.29	0.87	0.04	1.30	0.09	1.11	0.01	0.55	0.13	0.26	0.00	1.18	0.18
succinyl CoA	Energy	LC/MS Neg	1800	866.1	HMDB01022	1.0000	24	11	0.00	0.70	0.00	1.09	0.40	0.70	0.00	0.92	0.23	0.70	0.00	0.77	0.08
thiamin (Vitamin B1)	Cofactors and vitamins	LC/MS Neg	1699	263.1	HMDB00235	0.0085	24	4	0.16	1.02	0.08	1.11	0.09	0.96	0.11	0.81	0.00	0.81	0.00	0.95	0.05
threonine	Amino acid	GC/MS	1412.3	218.1	HMDB00167	0.0454	24	4	0.15	1.03	0.08	1.22	0.21	1.31	0.31	0.77	0.14	0.19	0.01	1.16	0.17
thymidine 5'-monophosphate	Nucleotide	LC/MS Neg	924	321.1	HMDB01227	0.0156	24	6	0.16	1.00	0.12	1.30	0.11	1.00	0.02	0.97	0.15	0.82	0.00	0.85	0.04
trans-4-hydroxyproline	Amino acid	GC/MS	1537	140	HMDB00725	0.8804	24	2	0.51	1.04	0.04	1.13	0.22	1.18	0.27	0.41	0.14	0.16	0.00	2.29	0.26
tryptophan	Amino acid	LC/MS Pos	2445	205.1	HMDB00929	0.1132	24	5	0.09	0.95	0.07	1.24	0.14	1.24	0.39	1.00	0.02	0.39	0.04	0.91	0.11
tyrosine	Amino acid	LC/MS Pos	1516	182.1	HMDB00158	0.0454	24	6	0.19	1.00	0.08	1.30	0.11	1.27	0.39	1.10	0.04	0.50	0.04	0.84	0.10
UDP-glucuronate	Carbohydrate	LC/MS Neg	594	579.1	HMDB00935	0.0004	24	6	0.53	1.18	0.18	1.46	0.07	1.10	0.10	0.91	0.10	0.25	0.01	0.58	0.01
uracil	Nucleotide	GC/MS	1370.4	241	HMDB00300	0.0156	24	6	0.41	1.09	0.09	1.38	0.25	1.07	0.35	1.08	0.08	0.14	0.03	0.54	0.06
uridine	Nucleotide	LC/MS Neg	1467	243.1	HMDB00296	0.8804	24	10	0.17	0.65	0.06	1.24	0.20	1.02	0.06	0.97	0.19	1.56	0.25	0.41	0.02
uridine 5'-monophosphate (UMP)	Nucleotide	LC/MS Pos	1079	325	HMDB00288	0.0021	24	4	0.33	1.38	0.11	1.46	0.09	1.01	0.18	0.92	0.05	0.71	0.01	0.92	0.11
uridine 5'-triphosphate (UTP)	Nucleotide	LC/MS Neg	639	483	HMDB00285	1.0000	24	9	0.09	0.69	0.00	0.95	0.27	1.32	0.32	0.91	0.15	0.68	0.00	1.01	0.04
valine	Amino acid	LC/MS Pos	1040	118.1	HMDB00883	0.0730	24	7	0.31	1.00	0.01	1.33	0.08	1.22	0.38	1.15	0.13	0.65	0.03	0.80	0.10