Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003136)

HILIC UNSPECIFIED ION MODE (Analysis AN005149)

Metabolite	Structure	F1	F2	F3	F4
Hydroxybenzoate/Salicylate(1)	ME821629	0.56	0.32	2.17	0.96
Phenol	ME821675	0.57	0.31	2.23	0.94
N-Acetyltryptophan	ME821659	0.00	0.04	1.03	1.85
5-Hydroxylysine	ME821575	0.54	1.38	0.62	1.22
5-Aminolevulinate/Trans-4-Hydroxy-L-Proline/Cis4-Hydroxy-D-Proline	ME821572	0.72	1.40	0.63	1.13
Hydroxyproline	ME821630	0.73	1.46	0.57	1.12
Cholate	ME821595	0.96	1.35	1.04	0.85
Guanosine	ME821619	0.92	1.41	0.94	0.89
4-Pyridoxate	ME821571	0.57	1.56	1.02	0.94
N-Acetylglycine	ME821654	0.94	1.64	0.80	0.84
Gluconolactone	ME821612	0.78	1.66	0.71	0.95
Phenylpyruvate	ME821678	0.69	1.70	0.79	0.94
5-Hydroxy-DL-tryptophan	ME821573	1.10	0.82	1.11	0.98
Hypoxanthine	ME821631	1.02	0.93	1.10	0.98
Indole-3-Acetate	ME821633	1.04	0.90	1.15	0.96
L-Carnitine	ME821640	0.99	1.08	1.08	0.94
Aminobutyrate/Aminoisobutyrate_01	ME821552	0.82	1.09	1.18	0.96
Propionylcarnitine	ME821682	0.93	1.10	1.18	0.91
Hexosamine	ME821622	0.78	1.06	0.97	1.08
Inosine	ME821634	0.68	1.08	0.97	1.13
Hexose(4)	ME821625	0.75	1.02	0.95	1.13
N-Acetylgalactosamine/N-Acetylmannosamine/N-Acetylglucosamine	ME821653	0.71	1.04	0.92	1.15
Phenylalanine	ME821677	0.74	1.19	0.83	1.12
2-Ketobutyrate	ME821558	0.70	1.18	1.01	1.06
Butyrylcarnitine	ME821591	0.74	1.20	0.93	1.06
Acetyl-L-carnitine	ME821579	0.84	0.92	0.97	1.12
L-Tyrosine	ME821643	0.91	0.98	1.02	1.04
Tyrosine	ME821696	0.86	0.96	1.03	1.07
Pyroglutamate/Oxoproline	ME821684	0.91	1.00	0.84	1.12
Pyruvate	ME821686	0.84	1.03	0.82	1.14
N-Formylglycine	ME821661	0.85	1.11	0.91	1.06
Ornithine	ME821670	0.86	1.16	0.88	1.05
Glutarate/Monoethylmalonate	ME821614	0.86	1.05	0.98	1.05
Methionine	ME821647	0.91	1.08	0.93	1.04
Alanine	ME821582	1.18	0.81	0.87	1.06
Decanoate	ME821603	0.99	0.90	0.82	1.13
Histidine	ME821628	1.04	0.83	0.79	1.15
10-Hydroxydecanoate	ME821547	1.05	1.02	0.70	1.10
Niacin	ME821663	0.96	1.15	0.72	1.08
5-Hydroxytryptophan	ME821576	1.02	0.90	0.89	1.08
Asparagine	ME821586	1.00	0.90	0.97	1.06
Aminoisobutyrate/Aminoisobutyrate__03	ME821560	0.97	1.06	0.92	1.02
Nonanoate	ME821667	0.95	1.03	0.94	1.03
Hexanoate/Trans-Cyclohexanediol	ME821621	1.00	0.99	0.94	1.03
Proline	ME821681	0.99	1.02	0.91	1.04
Betaine	ME821589	0.99	1.02	0.82	1.07
Glutamine	ME821613	1.07	0.95	0.84	1.06
Aminobutyrate/Aminoisobutyrate_02	ME821553	1.01	1.14	0.92	0.97
L-Cystine	ME821641	0.99	1.22	0.91	0.95
Aspartate	ME821587	1.13	1.04	0.91	0.96
Leucine	ME821642	1.12	1.12	0.91	0.93
Glycerate	ME821615	1.07	1.02	0.99	0.97
Glycine	ME821616	1.06	0.97	0.97	1.00
Gamma-GlutamylThreonine	ME821610	1.05	1.07	0.94	0.98
Isoleucine	ME821635	1.05	1.10	1.00	0.94
Arginine	ME821584	1.29	1.13	0.80	0.90
Heptanoate	ME821620	1.19	1.00	0.83	0.99
Lysine	ME821644	1.20	0.99	0.83	0.99
N-Methylaspartate/Glutamate	ME821666	1.13	0.88	1.44	0.80
Chenodeoxycholate/Deoxycholate	ME821594	1.53	1.24	1.08	0.62
Pyrrole-2-Carboxylate	ME821685	1.69	1.14	0.99	0.63
Tryptophan	ME821695	1.26	1.10	1.27	0.71
Citrulline	ME821596	1.24	0.94	1.12	0.87
Valine	ME821701	1.23	1.13	0.95	0.87
Threonine/Allothreonine/Homoserine	ME821693	1.26	1.00	0.97	0.90
3-Methyl-2-Oxovalerate/Ketoleucine	ME821565	1.24	1.05	1.06	0.84
Sarcosine	ME821689	1.22	1.02	1.03	0.88
Uridine	ME821699	1.52	1.04	1.06	0.72
Pipecolate	ME821680	1.39	1.08	1.12	0.73
Serine	ME821690	1.33	1.10	1.04	0.79
Caprylate	ME821593	0.52	0.85	1.80	0.92
4-Imidazoleacetate	ME821570	0.72	0.86	1.29	1.06
3-Aminophenol/2-aminophenol	ME821561	0.43	0.93	1.43	1.10
Benzoate	ME821588	0.47	0.61	1.49	1.19
1-Methyl-L-Histidine	ME821549	0.56	0.73	1.46	1.11
Dihydroorotate	ME821606	0.57	0.78	1.48	1.07
Dihydrouracil	ME821607	1.15	0.42	1.20	1.09
Hippurate	ME821627	0.73	0.34	1.13	1.35
Xanthine	ME821702	0.68	0.39	1.28	1.28
Orotate	ME821671	0.37	0.37	1.16	1.48
Xanthosine	ME821703	0.47	0.37	0.98	1.52
3-(2-Hydroxyphenyl)Propanoate	ME821559	0.18	1.31	0.50	1.46
Phenethylamine	ME821674	0.91	0.40	0.44	1.55
Urocanate	ME821700	0.92	0.46	0.40	1.54
Cystine	ME821601	0.75	1.13	0.68	1.20
N-Acetylneuraminate	ME821656	0.61	1.11	0.85	1.20
Riboflavin	ME821546	0.45	1.15	0.85	1.25
Hexose(2)	ME821624	0.57	0.60	0.80	1.45
3-Aminosalicylic acid/3-hydroxyanthranilate	ME821562	0.46	0.69	0.95	1.40
Creatine	ME821598	0.51	0.70	0.86	1.41
Hexose	ME821623	0.53	0.78	0.85	1.37
5-Methylcytosine	ME821577	0.51	0.78	0.79	1.41
N-Formyl-L-Methionine	ME821662	0.57	0.76	0.80	1.39
Pseudouridine	ME821683	0.59	0.96	1.00	1.20
N6,N6,N6,Trimethyl-L-lysine	ME821649	0.63	0.92	0.91	1.24
2-Hydroxybutyrate	ME821556	0.62	0.97	0.89	1.23
O-Acetylserine/N-Acetylserine	ME821668	0.60	0.97	0.89	1.25
Creatinine	ME821599	0.60	0.71	0.95	1.33
N-Methyl-2-pyridone-5-carboxamide	ME821665	0.57	0.78	1.00	1.29
N,N-dimethylarginine	ME821648	0.60	0.79	0.91	1.31
Hydroxyindole acetic acid	ME821626	0.55	0.84	0.95	1.29
Kynurenine	ME821637	0.56	0.87	0.93	1.29
2-Hydroxy-4-(Methylthio)Butanoate	ME821555	0.32	0.99	0.96	1.33
N-Acetylphenylalanine	ME821657	0.39	0.84	0.91	1.39
Lyxose/Ribose(2)/Arabinose/Xylose	ME821645	0.26	1.01	0.67	1.48
Ribitol/Xylitol/Arabitol	ME821688	0.53	0.88	0.79	1.36
1-Aminocyclopropanecarboxylate	ME821548	0.60	0.95	0.75	1.31
N-Acetylalanine	ME821650	0.56	0.93	0.75	1.34
Ureidopropionate	ME821698	0.43	0.87	0.68	1.46
Acetyl-L-methionine	ME821580	0.46	0.91	0.65	1.44
N-Acetylmethionine	ME821655	0.44	0.94	0.67	1.43
Erythritol	ME821608	0.36	0.98	0.76	1.41
Indole-3-Acetamide	ME821632	0.44	1.01	0.81	1.34
Deoxycarnitine	ME821604	0.69	0.85	1.07	1.17
N-Acetylasparagine	ME821651	0.79	0.84	1.09	1.12
Malate	ME821646	0.81	0.67	1.08	1.19
Diethanolamine	ME821605	0.75	0.69	0.92	1.28
Allantoin	ME821583	0.81	0.75	1.01	1.19
Uracil	ME821697	0.82	0.72	0.95	1.23
2-Deoxy-D-Glucose	ME821554	0.97	0.70	0.72	1.27
Omega-Hydroxydodecanoate/5-hydroxydodecanoic acid/3-hydroxydodecanoic acid	ME821669	1.09	0.63	0.72	1.24
Adenine	ME821581	0.78	0.74	0.78	1.31
Lactate	ME821638	0.70	0.74	0.80	1.34
1-Methylnicotinamide	ME821550	0.73	0.92	0.67	1.31
Cytosine	ME821602	0.81	0.85	0.69	1.29
Pantothenate	ME821672	0.87	0.90	0.70	1.24
Argininosuccinic acid	ME821585	0.72	0.82	0.56	1.40
3-Hydroxybutyrate/3-Hydroxyisobutyrate	ME821563	0.62	0.70	0.59	1.49
Xanthurenic acid	ME821704	0.70	0.59	0.66	1.46
Cystathionine	ME821600	0.12	0.71	0.37	1.81
N-Alpha-Acetyllysine	ME821660	0.17	0.65	0.32	1.83
3-Methoxy-4-Hydroxymandelate	ME821564	0.15	0.27	0.44	1.95
Kynurenate	ME821636	0.17	0.40	0.41	1.90
Cortisol	ME821597	0.33	0.67	0.57	1.63
N-Acetylcysteine	ME821652	0.37	0.64	0.49	1.67
Acetoacetate	ME821578	0.41	0.68	0.72	1.53
N-Acetylputrescine	ME821658	0.30	0.74	0.66	1.58
Biotin	ME821590	0.35	0.78	0.69	1.53
Gluconate	ME821611	0.36	0.79	0.64	1.54
4-Acetamidobutanoic acid	ME821566	0.22	0.61	0.65	1.68
4-Hydroxyphenyllactic acid	ME821569	0.25	0.71	0.73	1.58
4-Coumarate	ME821567	0.20	0.72	0.71	1.61
Phenylacetate	ME821676	0.22	0.71	0.72	1.60
Formiminoglutamic Acid	ME821609	0.15	0.60	0.89	1.60
Glycocholate	ME821617	0.12	0.82	1.02	1.47
Hydroxypyridine	ME821557	2.42	0.82	0.53	0.65
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione	ME821551	1.85	1.50	0.75	0.51
4-Hydroxyphenylacetate/Mandelate(1)	ME821568	1.43	1.57	0.88	0.62
Glyoxylate	ME821618	1.48	1.35	0.65	0.79
Lauroylcarnitine	ME821639	1.41	0.68	0.98	0.96
Taurine	ME821691	1.46	0.70	0.85	0.99
5-Hydroxyindoleacetate	ME821574	1.52	0.72	0.59	1.07
Quinate	ME821687	1.61	0.68	0.53	1.07
Caffeine	ME821592	1.54	0.97	0.70	0.91
Trigonelline	ME821694	1.54	0.92	0.54	1.00
Nicotinamide	ME821664	2.11	0.58	0.81	0.77
Phosphorylcholine	ME821679	1.74	0.80	0.87	0.81
Paraxanthine/Theophylline/Theobromine	ME821673	1.84	0.87	0.70	0.81
Theophylline/Paraxanthine/Theobromine	ME821692	1.88	0.82	0.65	0.84

Factors:

F1	Study_group:Ambulatory Control
F2	Study_group:Bacteremia without Sepsis
F3	Study_group:Cardiogeneic Shock
F4	Study_group:Septic Shock

Data matrix