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 Positive (Analysis AN001886)

Metabolite	Structure	F1	F2	F3	F4
indolepropionate	ME273516	0.04	0.22	3.07	0.64
N-methylproline	ME273549	0.53	0.50	2.53	0.90
nicotinate ribonucleoside	ME273560	1.94	0.54	0.41	NA
methyl glucopyranoside (alpha + beta)	ME273530	0.56	0.40	1.63	1.43
N-acetylglutamine	ME273543	0.58	0.63	1.65	1.13
tigloylglycine	ME273590	0.56	0.70	1.53	1.20
gamma-glutamylglutamine	ME273486	0.64	0.75	1.60	1.00
ophthalmate	ME273563	0.81	0.69	1.58	0.94
gamma-glutamylglutamate	ME273485	0.88	0.55	2.07	0.54
dimethyl sulfone	ME273478	0.29	0.26	1.62	0.66
indolin-2-one	ME273517	0.45	0.44	1.89	0.62
2-oxindole-3-acetate	ME273431	1.20	0.99	1.55	0.28
guanine	ME273505	1.06	0.70	1.64	0.37
spermidine	ME273583	0.82	0.97	0.36	1.83
spermine	ME273584	0.56	1.15	0.39	1.32
1-(3-aminopropyl)-2-pyrrolidone	ME273412	0.99	1.12	0.33	1.54
myristoleoylcarnitine*	ME273532	0.85	1.09	0.63	1.39
linoleoylcarnitine*	ME273526	0.91	1.16	0.54	1.35
oleoylcarnitine	ME273562	0.93	1.17	0.47	1.40
11-dehydrocorticosterone	ME273422	1.13	0.78	0.53	1.54
acisoga	ME273452	1.26	1.11	0.57	1.07
corticosterone	ME273469	1.24	1.05	0.43	1.31
phenylpropionylglycine	ME273569	0.50	0.67	0.87	1.94
phenylacetylglycine	ME273566	0.41	0.95	1.14	1.43
S-methylcysteine	ME273579	0.69	0.95	1.01	1.33
homostachydrine*	ME273510	0.79	0.78	1.02	1.41
octanoylcarnitine	ME273561	0.85	0.83	1.05	1.28
cis-4-decenoyl carnitine	ME273467	0.94	0.87	0.73	1.47
hydroxybutyrylcarnitine*	ME273511	0.73	0.83	0.84	1.59
daidzein	ME273475	1.90	0.91	0.82	0.50
N6-succinyladenosine	ME273558	1.56	0.79	1.06	0.69
imidazole propionate	ME273513	1.65	0.91	1.05	0.48
1-methylnicotinamide	ME273417	1.57	0.80	0.90	0.58
4-acetamidobutanoate	ME273440	1.76	0.89	0.86	0.60
N-acetylputrescine	ME273546	1.73	0.83	0.96	0.59
4-guanidinobutanoate	ME273441	1.60	0.72	1.28	0.51
5,6-dihydrothymine	ME273444	1.31	0.75	1.41	0.60
guanosine 5^- monophosphate (5^-GMP)	ME273506	0.93	1.68	0.64	0.60
6-oxopiperidine-2-carboxylic acid	ME273449	1.19	1.27	0.92	0.53
biopterin	ME273462	1.05	1.37	0.97	0.66
1-oleoyl-GPC (18:1)	ME273418	0.76	0.94	1.47	0.80
1-palmitoleoyl-GPC (16:1)*	ME273419	0.79	0.97	1.32	0.90
gamma-glutamylmethionine	ME273489	0.85	0.81	1.61	0.73
N-acetylasparagine	ME273540	0.99	0.79	1.57	0.68
pyroglutamine*	ME273577	1.00	0.78	1.50	0.74
gamma-glutamyl-epsilon-lysine	ME273483	1.08	0.66	1.53	0.78
gamma-glutamylisoleucine*	ME273487	1.02	0.70	1.53	0.80
gamma-glutamyltyrosine	ME273493	0.93	0.75	1.52	0.82
gamma-glutamylleucine	ME273488	0.91	0.71	1.60	0.80
gamma-glutamylvaline	ME273494	0.96	0.67	1.57	0.83
gamma-glutamyltryptophan	ME273492	1.03	0.79	1.38	0.83
N-delta-acetylornithine	ME273547	1.02	0.77	1.39	0.84
gamma-glutamylphenylalanine	ME273490	0.95	0.82	1.32	0.92
gamma-glutamylalanine	ME273484	0.90	0.82	1.43	0.86
gamma-glutamylthreonine*	ME273491	0.90	0.80	1.40	0.91
stachydrine	ME273585	1.11	0.80	1.42	0.71
N-acetylglutamate	ME273542	1.09	0.93	1.34	0.66
trigonelline (N^-methylnicotinate)	ME273594	1.12	0.87	1.37	0.66
1-linolenoyl-GPC (18:3)*	ME273414	1.00	1.00	1.29	0.71
S-methylglutathione	ME273580	0.93	1.00	1.30	0.77
1-linoleoyl-GPC (18:2)	ME273415	0.95	0.94	1.25	0.86
glutathione, oxidized (GSSG)	ME273498	0.99	0.90	1.34	0.79
3-methoxytyrosine	ME273436	1.08	0.87	1.27	0.81
homocitrulline	ME273509	1.06	0.90	1.28	0.79
N2-acetyllysine	ME273554	1.37	0.88	1.18	0.63
N-acetylarginine	ME273539	1.14	0.99	1.15	0.74
beta-hydroxyisovaleroylcarnitine	ME273460	1.16	0.89	1.20	0.79
ectoine	ME273481	1.16	0.91	1.23	0.73
N-acetylkynurenine (2)	ME273545	1.27	0.93	1.05	0.79
urea	ME273598	1.32	0.87	1.08	0.78
nicotinamide	ME273559	1.21	0.99	1.05	0.78
2-aminoheptanoate	ME273426	1.16	0.97	1.05	0.85
tiglyl carnitine	ME273591	1.18	0.92	1.11	0.82
adipate	ME273456	1.30	0.66	1.25	0.87
glycitein	ME273500	1.27	0.72	0.94	0.77
uracil	ME273597	1.27	0.66	1.10	1.05
choline	ME273466	1.23	0.74	1.16	0.93
2-methylbutyrylcarnitine (C5)	ME273428	1.15	0.87	1.08	0.93
glutamate	ME273495	1.23	0.84	1.09	0.89
xanthurenate	ME273602	1.33	0.85	0.97	0.92
4-hydroxybutyrate (GHB)	ME273442	1.25	0.79	1.00	1.04
5,6-dihydrouracil	ME273445	1.19	0.83	1.00	1.03
glycylisoleucine	ME273501	1.43	1.14	0.59	0.57
4-imidazoleacetate	ME273443	1.35	1.04	0.98	0.66
deoxycarnitine	ME273476	1.38	0.96	0.94	0.76
citrulline	ME273468	1.20	1.11	0.93	0.77
trans-urocanate	ME273593	1.25	1.18	0.88	0.70
cytidine 5^-monophosphate (5^-CMP)	ME273474	1.16	1.12	0.84	0.88
phenylcarnitine*	ME273568	1.17	1.12	0.86	0.86
prolylglycine	ME273574	1.30	1.04	0.87	0.83
N-acetyl-aspartyl-glutamate (NAAG)	ME273537	1.19	1.04	0.84	0.95
anthranilate	ME273458	1.24	1.00	0.90	0.89
creatinine	ME273471	1.22	1.02	0.89	0.89
indolelactate	ME273515	1.56	1.01	0.76	0.73
ergothioneine	ME273482	1.40	1.17	0.67	0.79
glycylvaline	ME273503	1.44	1.10	0.63	0.81
N-acetyl-3-methylhistidine*	ME273536	1.30	1.00	0.74	1.00
glycylleucine	ME273502	1.40	0.98	0.79	0.85
picolinate	ME273570	1.37	1.05	0.71	0.91
5-hydroxyindoleacetate	ME273446	1.26	0.76	0.82	1.22
N-acetylcarnosine	ME273541	1.16	0.85	0.84	1.17
dimethylglycine	ME273480	0.73	0.90	1.16	1.19
valerylcarnitine	ME273599	0.77	0.86	1.17	1.19
2-palmitoyl-GPC (16:0)*	ME273433	0.70	1.00	1.20	1.06
3-methylglutarylcarnitine (1)	ME273438	0.73	0.96	1.14	1.13
3-methylcrotonylglycine	ME273437	0.84	0.82	1.24	1.11
pipecolate	ME273571	0.86	0.90	1.18	1.06
pro-hydroxy-pro	ME273572	0.87	0.86	1.24	1.03
dihydrobiopterin	ME273477	0.92	0.72	1.39	1.00
cysteine-glutathione disulfide	ME273472	0.79	0.80	1.33	1.08
propionylcarnitine	ME273575	0.82	0.80	1.31	1.07
butyrylcarnitine	ME273463	0.86	0.77	1.37	1.02
N-acetylhistidine	ME273544	0.87	0.76	1.32	1.07
isobutyrylcarnitine	ME273518	1.00	0.81	1.11	1.10
2-methylbutyrylglycine	ME273429	0.97	0.85	1.05	1.15
hexanoylcarnitine	ME273508	0.95	0.81	1.04	1.22
xanthosine	ME273601	1.04	0.73	1.20	1.08
3-ureidopropionate	ME273439	1.10	0.72	1.30	0.92
N4-acetylcytidine	ME273555	1.10	0.84	1.18	0.90
imidazole lactate	ME273512	1.03	0.81	1.23	0.95
N-methylpipecolate	ME273548	1.01	0.86	1.16	0.98
2-aminooctanoate	ME273427	1.06	1.00	0.72	1.23
palmitoylcarnitine	ME273565	0.94	1.09	0.76	1.20
cytidine	ME273473	0.96	0.93	0.84	1.27
laurylcarnitine	ME273524	0.95	0.95	0.81	1.29
creatine	ME273470	1.01	1.00	0.86	1.13
phenylalanine	ME273567	1.00	1.03	0.88	1.08
N-acetyl-1-methylhistidine*	ME273535	0.93	1.02	0.88	1.16
N-acetyl-beta-alanine	ME273538	0.92	0.97	0.89	1.21
methionine sulfoxide	ME273529	1.02	1.06	1.11	0.80
trans-4-hydroxyproline	ME273592	1.03	1.08	1.11	0.77
isobutyrylglycine	ME273519	1.02	0.99	1.15	0.84
riboflavin (Vitamin B2)	ME273578	1.03	0.96	1.15	0.88
betaine	ME273461	1.04	1.02	1.08	0.87
N6-acetyllysine	ME273556	0.99	1.02	1.11	0.87
2-methylmalonyl carnitine	ME273430	0.95	1.06	1.12	0.92
proline	ME273573	0.96	1.05	1.04	0.94
methionine	ME273528	1.05	1.10	0.98	0.87
1-stearoyl-GPC (18:0)	ME273421	0.94	1.12	1.02	0.89
glycerophosphorylcholine (GPC)	ME273499	0.98	1.10	0.98	0.93
2-aminobutyrate	ME273425	0.86	0.99	1.03	1.10
acetylcarnitine	ME273451	0.94	0.95	1.04	1.06
indoleacetate	ME273514	0.93	0.94	1.12	1.01
N6-carbamoylthreonyladenosine	ME273557	1.07	0.97	1.07	0.90
succinylcarnitine	ME273587	1.05	0.97	1.08	0.91
5-methylthioadenosine (MTA)	ME273448	1.10	0.99	1.01	0.91
7-methylguanine	ME273450	1.12	0.98	1.04	0.89
1-methylimidazoleacetate	ME273416	1.13	0.94	1.00	0.95
isoleucine	ME273520	1.05	0.92	1.05	0.99
N1-methylguanosine	ME273552	1.09	0.91	1.07	0.96
kynurenine	ME273523	1.10	1.01	0.88	1.02
2-piperidinone	ME273434	1.03	1.02	0.95	1.01
tyrosine	ME273596	1.01	1.02	0.94	1.02
2-aminoadipate	ME273424	1.01	1.00	0.98	1.01
carnitine	ME273465	0.98	1.00	1.00	1.02
isoleucylglycine	ME273521	1.08	1.03	0.94	0.95
lysine	ME273527	1.01	1.08	0.90	1.01
arginine	ME273459	1.06	1.06	0.90	0.99
ornithine	ME273564	1.03	1.06	0.93	0.98
C-glycosyltryptophan	ME273464	1.05	0.86	0.98	1.13
isovalerylcarnitine	ME273522	1.04	0.96	0.95	1.07
N2,N2-dimethylguanosine	ME273553	1.05	0.93	0.94	1.06
dimethylarginine (SDMA + ADMA)	ME273479	1.06	0.95	0.98	1.02
leucine	ME273525	1.04	0.95	1.02	1.00
valine	ME273600	1.04	0.98	1.00	0.99
2^-deoxycytidine	ME273423	1.01	0.95	1.00	1.04
5-methyl-2^-deoxycytidine	ME273447	1.00	0.95	1.00	1.05
myristoylcarnitine	ME273533	1.03	0.92	1.03	1.03
N1-methyladenosine	ME273551	1.06	0.90	1.00	1.05
thymidine	ME273589	1.05	0.91	1.00	1.05
serine	ME273581	1.06	1.19	0.74	1.00
tryptophan	ME273595	1.13	1.10	0.75	1.02
alanine	ME273457	0.85	1.16	0.88	1.07
N-6-trimethyllysine	ME273534	0.97	1.15	0.82	1.04
threonine	ME273588	0.97	1.12	0.85	1.04
pyridoxal	ME273576	0.97	1.18	0.83	0.99
stearoylcarnitine	ME273586	0.93	1.19	0.83	1.02
glutamine	ME273496	0.73	1.10	0.97	1.16
1-palmitoyl-GPC (16:0)	ME273420	0.79	1.07	1.08	1.02
2-palmitoleoyl-GPC (16:1)*	ME273432	0.84	1.07	1.00	1.07
2-stearoyl-GPC (18:0)*	ME273435	0.82	1.13	1.00	1.01
serotonin	ME273582	0.78	1.13	1.01	1.04
glutarylcarnitine (C5)	ME273497	0.93	1.19	0.94	0.91
1-arachidonoyl-GPC (20:4)*	ME273413	0.90	1.10	0.96	1.02
N1-Methyl-2-pyridone-5-carboxamide	ME273550	0.89	1.14	0.96	0.98
heme	ME273507	0.95	2.25	0.25	0.39
methyl indole-3-acetate	ME273531	0.90	2.46	0.27	0.24
adenosine	ME273454	0.24	1.51	0.74	1.35
adenine	ME273453	0.58	1.95	0.48	0.82
adenosine 5^-monophosphate (AMP)	ME273455	0.43	2.02	0.18	1.19

Factors:

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

Data matrix