Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Microbial depletion and ozone exposure - serum (part II) (Study ST001144)

Reversed phase LC-MS Negative (Analysis AN001887)

Metabolite	Structure	F1	F2	F3	F4
taurodeoxycholate	ME273837	0.20	2.86	0.18	0.43
taurohyodeoxycholic acid	ME273838	0.15	2.92	0.23	0.35
tauro-beta-muricholate	ME273834	0.17	3.36	0.05	0.02
tauroursodeoxycholate	ME273839	0.11	3.41	0.04	0.03
taurochenodeoxycholate	ME273835	0.35	3.16	0.06	0.08
taurocholate	ME273836	0.32	3.10	0.13	0.10
p-cresol-glucuronide*	ME273803	0.01	0.61	0.23	2.45
p-cresol sulfate	ME273802	0.01	1.45	0.25	2.12
4-vinylphenol sulfate	ME273690	2.82	1.28	0.06	0.04
methyl-4-hydroxybenzoate sulfate	ME273774	2.12	0.23	0.03	NA
4-ethylphenylsulfate	ME273682	0.01	0.01	1.89	1.60
3-(4-hydroxyphenyl)propionate	ME273664	0.62	0.41	2.69	0.30
catechol sulfate	ME273720	0.04	0.29	2.74	0.78
cholate	ME273722	0.11	0.48	2.95	0.33
indoleacrylate	ME273764	0.14	0.63	2.62	0.45
1,2,3-benzenetriol sulfate (2)	ME273604	0.57	0.86	1.95	0.58
2-aminophenol sulfate	ME273647	0.66	0.86	1.87	0.58
gentisate	ME273749	0.37	0.45	1.82	0.37
O-methylcatechol sulfate	ME273797	0.67	0.54	2.00	0.38
3-indoxyl sulfate	ME273672	0.78	0.56	1.80	0.89
5-methyltetrahydrofolate (5MeTHF)	ME273694	0.53	0.31	1.42	0.84
3-(3-hydroxyphenyl)propionate	ME273662	0.03	0.02	2.16	0.09
ursodeoxycholate	ME273848	NA	0.44	1.80	0.25
2-(4-hydroxyphenyl)propionate	ME273646	NA	NA	1.71	0.29
3-[3-(sulfooxy)phenyl]propanoic acid	ME273679	NA	NA	1.79	0.21
equol glucuronide	ME273742	NA	NA	1.56	0.44
equol sulfate	ME273743	NA	NA	1.40	0.60
equol	ME273741	NA	NA	1.04	0.85
hyodeoxycholate	ME273761	NA	0.48	1.53	0.84
4-methylcatechol sulfate	ME273688	0.13	1.01	0.98	1.67
deoxycholate	ME273728	0.08	0.99	1.33	1.48
1-methylhistidine	ME273621	0.58	1.07	0.83	1.46
heptanoyl glycine	ME273754	0.61	0.84	1.03	1.47
phenylacetate	ME273811	0.42	0.76	1.07	1.45
hypoxanthine	ME273762	0.89	1.03	0.35	1.63
hexanoylglycine	ME273756	0.65	0.98	0.60	1.73
S-adenosylhomocysteine (SAH)	ME273824	0.73	0.86	0.65	1.74
3-phenylpropionate (hydrocinnamate)	ME273678	0.90	0.77	0.70	1.65
N-octanoylglycine	ME273789	0.81	0.91	0.67	1.60
17-HDoHe	ME273643	1.76	0.54	0.70	1.15
3-hydroxymyristate	ME273668	1.44	0.70	0.60	1.34
myristoleate (14:1n5)	ME273776	1.29	0.80	0.72	1.25
3-hydroxylaurate	ME273667	1.44	0.52	0.77	1.39
3-hydroxydecanoate	ME273666	1.19	0.54	0.87	1.48
3-hydroxyoctanoate	ME273669	1.19	0.61	0.83	1.45
bilirubin (E,E)*	ME273713	0.99	1.18	1.00	0.85
chenodeoxycholate	ME273721	0.85	1.48	0.93	0.67
N-formylphenylalanine	ME273788	0.93	1.32	1.10	0.66
pyrraline	ME273820	1.08	0.89	1.47	0.58
N2,N5-diacetylornithine	ME273793	1.26	0.73	1.31	0.77
1-stearoyl-GPI (18:0)	ME273633	1.24	0.88	1.25	0.68
2-stearoyl-GPE (18:0)*	ME273659	1.13	0.81	1.25	0.85
1-(1-enyl-palmitoyl)-GPE (P-16:0)*	ME273607	1.16	0.88	1.25	0.74
N-acetylvaline	ME273786	1.18	0.82	1.27	0.78
N-acetylthreonine	ME273783	1.02	0.89	1.22	0.89
4-hydroxyphenylacetate	ME273685	1.00	0.98	1.33	0.74
N-acetylmethionine	ME273780	1.06	0.94	1.30	0.72
salicylate	ME273825	1.10	0.92	1.26	0.74
3-hydroxypyridine sulfate	ME273671	0.86	0.92	1.36	0.86
1-palmitoyl-GPE (16:0)	ME273627	1.00	0.80	1.44	0.79
N-acetylleucine	ME273779	1.04	0.78	1.42	0.80
butyrylglycine	ME273715	0.62	0.72	1.36	1.29
1-palmitoyl-GPA (16:0)	ME273626	0.87	0.68	1.30	1.16
isovalerylglycine	ME273767	0.85	0.78	1.38	1.00
N-formylmethionine	ME273787	0.87	0.79	1.41	0.93
5-methyluridine (ribothymidine)	ME273695	0.99	0.72	1.28	1.05
S-(3-hydroxypropyl)mercapturic acid (HPMA)	ME273823	0.97	0.71	1.37	0.98
cinnamoylglycine	ME273724	0.69	0.90	1.28	1.10
propionylglycine	ME273817	0.67	0.84	1.47	1.00
3-methylhistidine	ME273677	0.94	1.11	0.82	1.11
pantothenate	ME273807	0.97	1.10	0.81	1.10
beta-hydroxyisovalerate	ME273711	0.97	1.08	0.85	1.08
oxalate (ethanedioate)	ME273801	1.00	1.08	0.83	1.08
histidine	ME273758	0.91	1.05	0.92	1.10
3-methyl-2-oxovalerate	ME273676	0.91	0.99	0.94	1.15
4-methyl-2-oxopentanoate	ME273687	0.86	1.03	0.91	1.18
5-oxoproline	ME273696	0.96	0.92	0.94	1.19
3-hydroxy-3-phenylpropionate	ME273665	1.02	0.87	0.94	1.18
uridine	ME273847	0.99	0.87	0.93	1.23
cinnamate	ME273723	1.05	0.93	0.87	1.17
caprate (10:0)	ME273716	1.07	0.92	0.91	1.13
hexadecanedioate	ME273755	1.09	0.87	0.91	1.15
pelargonate (9:0)	ME273808	1.11	0.88	0.93	1.12
isovalerate	ME273766	1.02	0.93	0.96	1.09
3-methyl-2-oxobutyrate	ME273675	0.96	0.95	1.00	1.08
octadecanedioate	ME273799	0.96	0.94	1.00	1.10
hippurate	ME273757	0.99	1.04	0.95	1.01
2-hydroxyhippurate (salicylurate)	ME273652	0.99	0.97	1.08	0.94
4-hydroxyphenylpyruvate	ME273686	1.05	0.95	1.02	0.99
phosphate	ME273814	0.99	0.98	1.01	1.02
guanosine	ME273752	0.85	0.87	1.16	1.12
pseudouridine	ME273818	0.82	0.92	1.19	1.05
sulfate*	ME273832	0.80	0.96	1.07	1.15
flavin adenine dinucleotide (FAD)	ME273747	0.88	0.95	1.06	1.10
pyruvate	ME273821	0.90	0.93	1.10	1.07
urate	ME273846	1.06	0.79	1.05	1.13
anserine	ME273705	1.08	0.83	1.15	0.98
eicosanodioate	ME273738	1.05	0.84	1.10	1.04
2^-deoxyuridine	ME273645	0.99	0.79	1.17	1.06
carnosine	ME273719	0.99	0.82	1.10	1.11
palmitoleate (16:1n7)	ME273805	1.21	0.68	0.98	1.20
3-hydroxypalmitate	ME273670	1.30	0.72	0.88	1.17
linoleate (18:2n6)	ME273770	1.34	0.75	0.88	1.10
margarate (17:0)	ME273772	1.59	0.73	0.91	0.87
12-HEPE	ME273638	1.62	0.70	0.85	0.94
13-HODE + 9-HODE	ME273640	1.62	0.73	0.86	0.91
dihomo-linoleate (20:2n6)	ME273729	1.55	0.64	1.03	0.90
linolenate [alpha or gamma; (18:3n3 or 6)]	ME273771	1.51	0.64	0.94	1.01
10-nonadecenoate (19:1n9)	ME273635	1.50	0.71	0.91	0.98
docosapentaenoate (n3 DPA; 22:5n3)	ME273734	1.44	0.69	0.94	1.01
eicosapentaenoate (EPA; 20:5n3)	ME273739	1.45	0.91	0.76	0.96
palmitoyl ethanolamide	ME273806	1.53	0.86	0.80	0.88
docosahexaenoate (DHA; 22:6n3)	ME273733	1.47	0.81	0.83	0.97
tetradecanedioate	ME273840	1.47	0.84	0.83	0.94
10-heptadecenoate (17:1n7)	ME273634	1.35	0.70	1.00	1.03
alpha-hydroxyisocaproate	ME273703	1.32	0.79	0.96	1.00
myristate (14:0)	ME273775	1.32	0.76	0.97	1.02
stearate (18:0)	ME273828	1.41	0.80	1.02	0.85
suberate (octanedioate)	ME273830	1.41	0.76	1.00	0.91
15-methylpalmitate (isobar with 2-methylpalmitate)	ME273641	1.32	0.86	0.93	0.94
O-sulfo-L-tyrosine	ME273798	1.33	0.82	0.99	0.92
1,11-undecanedicarboxylate	ME273603	1.38	0.82	0.91	0.96
1-stearoyl-GPE (18:0)	ME273632	1.35	0.81	0.90	1.00
N-palmitoyltaurine	ME273791	1.36	0.87	0.93	0.87
azelate (nonanedioate)	ME273708	1.37	0.85	0.91	0.93
sebacate (decanedioate)	ME273826	1.40	0.86	0.90	0.90
dodecanedioate	ME273736	1.39	0.86	0.89	0.92
undecanedioate	ME273844	1.40	0.86	0.88	0.93
N-acetyltyrosine	ME273785	1.29	1.16	0.78	0.78
homovanillate sulfate	ME273759	1.31	1.07	0.81	0.84
12,13-DiHOME	ME273637	1.26	1.12	0.77	0.87
N-acetylphenylalanine	ME273781	1.27	1.12	0.77	0.85
1-linoleoylglycerophosphoserine*	ME273620	1.31	0.97	0.80	0.81
kynurenate	ME273768	1.42	1.06	0.76	0.81
1,5-anhydroglucitol (1,5-AG)	ME273605	1.16	1.03	0.88	0.95
2-hydroxystearate	ME273655	1.20	1.05	0.87	0.89
phenylpyruvate	ME273813	1.21	1.09	0.82	0.89
alpha-hydroxycaproate	ME273702	1.31	0.98	0.83	0.92
8-hydroxyoctanoate	ME273698	1.37	0.93	0.82	0.93
valerate	ME273849	1.33	0.95	0.78	0.97
9,10-DiHOME	ME273699	1.30	0.89	0.87	0.99
phosphoethanolamine	ME273816	1.24	1.00	0.78	1.00
2-hydroxyoctanoate	ME273653	1.27	0.95	0.85	0.98
undecanoate (11:0)	ME273845	1.24	0.95	0.85	0.99
5-hydroxydecanoate	ME273691	1.24	1.00	0.85	0.95
heptanoate (7:0)	ME273753	1.26	0.98	0.83	0.96
2-hydroxypalmitate	ME273654	1.12	1.05	0.76	1.07
o-cresol sulfate	ME273796	1.18	1.01	0.77	1.05
laurate (12:0)	ME273769	1.21	0.91	0.83	1.09
3-(4-hydroxyphenyl)lactate	ME273663	1.09	0.97	0.93	1.03
bilirubin (Z,Z)	ME273714	1.10	0.98	0.94	0.99
3-(2-hydroxyphenyl)propionate	ME273661	1.16	0.97	0.87	1.02
caprylate (8:0)	ME273718	1.11	0.95	0.88	1.08
2-hydroxydecanoate	ME273651	1.16	0.88	1.04	0.95
3-methoxycatechol sulfate (2)	ME273674	1.22	0.84	1.06	0.99
5-hydroxyhexanoate	ME273692	1.22	0.88	0.96	0.98
16-hydroxypalmitate	ME273642	1.18	0.86	0.96	1.05
glycerol	ME273750	1.17	0.81	1.02	1.04
1-(1-enyl-stearoyl)-GPE (P-18:0)*	ME273608	1.20	0.71	1.08	1.07
dihomo-linolenate (20:3n3 or n6)	ME273730	1.30	0.79	1.09	0.89
palmitate (16:0)	ME273804	1.27	0.75	1.09	0.95
pentadecanoate (15:0)	ME273809	1.23	0.78	1.07	0.98
indole-3-carboxylic acid	ME273763	1.17	1.01	1.06	0.78
N-acetyltaurine	ME273782	1.15	0.95	1.11	0.81
citrate	ME273725	1.10	1.02	1.03	0.85
aconitate [cis or trans]	ME273700	1.07	0.97	1.09	0.89
pyridoxate	ME273819	1.04	1.01	1.09	0.86
5-methylcytidine	ME273693	1.14	0.86	1.16	0.88
thymine	ME273842	1.20	0.86	1.10	0.86
mead acid (20:3n9)	ME273773	1.26	0.90	1.06	0.82
1-(1-enyl-oleoyl)-GPE (P-18:1)*	ME273606	1.26	0.89	1.13	0.76
N-acetylisoleucine	ME273778	1.34	0.86	1.12	0.74
xanthine	ME273851	1.13	0.98	0.55	1.36
benzyl alcohol glucuronide	ME273710	0.89	0.98	0.72	1.40
succinate	ME273831	1.11	0.88	0.74	1.30
benzoate	ME273709	1.04	0.97	0.67	1.34
cysteine s-sulfate	ME273726	0.98	1.02	0.74	1.25
oleic ethanolamide	ME273800	1.49	0.99	0.49	1.09
N-oleoyltaurine	ME273790	1.21	0.90	0.65	1.10
12-HETE	ME273639	1.25	1.08	0.61	1.08
4-allylphenol sulfate	ME273681	1.22	1.10	0.56	1.15
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)	ME273697	1.26	1.04	0.55	1.18
phosphoenolpyruvate (PEP)	ME273815	1.03	1.58	0.66	1.04
caproate (6:0)	ME273717	1.04	1.20	0.78	0.96
arachidonate (20:4n6)	ME273707	1.15	1.19	0.73	0.93
tartronate (hydroxymalonate)	ME273833	1.16	1.18	0.70	0.98
inosine	ME273765	0.88	1.23	0.68	1.17
thromboxane B2	ME273841	0.96	1.23	0.72	1.06
1-linoleoyl-GPI (18:2)*	ME273618	1.83	0.53	1.45	0.35
1-oleoyl-GPG (18:1)*	ME273623	1.32	0.63	1.09	0.27
docosadienoate (22:2n6)	ME273732	1.24	0.50	1.67	0.68
1-linoleoyl-GPE (18:2)*	ME273617	1.45	0.55	1.58	0.53
arachidate (20:0)	ME273706	1.35	0.52	1.68	0.56
erucate (22:1n9)	ME273744	1.41	0.47	1.66	0.58
eicosenoate (20:1)	ME273740	1.42	0.58	1.27	0.83
17-methylstearate	ME273644	1.44	0.72	1.14	0.79
1-arachidonoyl-GPI (20:4)*	ME273611	1.45	0.73	1.21	0.70
1-pentadecanoylglycerol (15:0)	ME273631	1.43	0.75	1.18	0.69
1-dihomo-linoleoylglycerol (20:2)	ME273614	1.49	0.69	1.26	0.67
nonadecanoate (19:0)	ME273795	1.45	0.67	1.26	0.72
1-arachidonoyl-GPE (20:4)*	ME273610	1.35	0.61	1.44	0.69
1-linolenoylglycerol (18:3)	ME273616	1.54	0.57	1.40	0.60
1-oleoylglycerol (18:1)	ME273625	1.54	0.66	1.31	0.60
1-oleoyl-GPI (18:1)*	ME273624	1.35	0.57	1.42	0.34
1-oleoyl-GPE (18:1)	ME273622	1.39	0.76	1.34	0.59
1-palmitoyl-GPI (16:0)*	ME273629	1.42	0.78	1.45	0.44
4-acetylphenol sulfate	ME273680	1.41	0.98	0.96	0.38
4-hydroxyhippurate	ME273684	1.39	1.04	0.98	0.63
N-acetylcitrulline	ME273777	1.44	0.97	0.91	0.74
ferulate	ME273745	1.33	0.94	0.99	0.75
N2,N6-diacetyllysine	ME273794	1.33	1.00	0.99	0.73
2-arachidonoylglycerol (20:4)	ME273648	1.57	0.99	0.76	0.75
3,4-dihydroxyphenylacetate sulfate	ME273660	1.54	1.08	0.77	0.62
N-acetyltryptophan	ME273784	1.61	1.13	0.69	0.63
10-undecenoate (11:1n1)	ME273636	1.91	1.02	0.47	0.71
2-docosahexaenoylglcyerol*	ME273649	1.70	0.81	0.77	0.83
1-arachidonylglycerol (20:4)	ME273612	1.87	0.87	0.57	0.82
alpha-hydroxyisovalerate	ME273704	1.81	0.83	0.68	0.80
1-dihomo-linolenylglycerol (alpha, gamma)	ME273613	1.77	0.75	0.89	0.72
1-linoleoylglycerol (18:2)	ME273619	1.79	0.69	0.92	0.74
2-palmitoylglycerol (16:0)	ME273658	1.94	0.78	0.80	0.63
1-palmitoylglycerol (16:0)	ME273630	1.86	0.77	0.94	0.56
thyroxine	ME273843	1.95	0.77	0.90	0.53
1-arachidonoyl-GPA (20:4)	ME273609	1.65	0.72	1.07	0.68
2-linoleoylglycerol (18:2)	ME273656	1.70	0.64	1.09	0.71
stearidonate (18:4n3)	ME273829	1.64	0.63	1.09	0.77
N-stearoyltaurine	ME273792	1.56	0.83	1.01	0.69
phenyllactate (PLA)	ME273812	1.63	0.86	0.94	0.67
docosapentaenoate (n6 DPA; 22:5n6)	ME273735	1.53	0.76	1.08	0.73
1-docosahexaenoylglycerol (22:6)	ME273615	1.60	0.76	0.98	0.76
adrenate (22:4n6)	ME273701	1.59	0.73	0.99	0.80
1-palmitoyl-GPG (16:0)*	ME273628	1.66	0.61	1.11	0.45
2-oleoylglycerol (18:1)	ME273657	1.77	0.67	1.08	0.61
phenol sulfate	ME273810	1.84	0.55	1.12	0.64
2-hydroxy-3-methylvalerate	ME273650	2.13	0.82	0.58	0.64
genistein	ME273748	2.27	0.86	0.69	0.36
hydroquinone sulfate	ME273760	1.97	1.02	0.59	0.39
daidzein sulfate (2)	ME273727	1.79	1.29	0.57	0.42
4-hydroxycinnamate sulfate	ME273683	1.66	1.17	0.83	0.40
ferulic acid 4-sulfate	ME273746	1.76	1.12	0.73	0.46
beta-muricholate	ME273712	0.12	1.91	1.39	0.36
4-vinylguaiacol sulfate	ME273689	1.00	1.01	NA	NA
dopamine sulfate (2)	ME273737	1.17	1.00	0.66	NA
dihydroferulic acid	ME273731	0.81	1.59	0.84	0.17
raffinose	ME273822	1.07	2.10	0.43	0.28
stachyose	ME273827	0.86	2.19	0.38	0.20
3-methoxycatechol sulfate (1)	ME273673	0.32	1.23	NA	NA
glycocholate	ME273751	NA	1.66	0.42	0.43

Factors:

F1	Treament:Antibiotics \| Exposure:Air
F2	Treament:Antibiotics \| Exposure:Ozone
F3	Treament:Water \| Exposure:Air
F4	Treament:Water \| Exposure:Ozone

Data matrix