Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002082)

Normal phase POSITIVE ION MODE (Analysis AN003399)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
Glucosamine	ME483591	1.15	0.94	0.86	1.16	0.53	0.97
Deoxycholic acid	ME483683	0.59	0.92	2.23	1.01	0.14	0.45
Xanthurenic acid	ME483646	0.82	1.13	1.07	1.03	0.61	0.85
Nicotinamide adenine dinucleotide (NAD)	ME483623	1.88	0.67	0.72	0.90	0.34	0.84
Deoxyadenosine monophosphate	ME483665	1.27	0.85	0.95	1.23	0.43	0.83
Kynurenic acid	ME483605	1.39	1.00	0.71	0.92	1.09	0.70
Cytosine	ME483674	1.34	0.92	0.92	0.78	0.87	0.91
4-Guanidinobutanoate	ME483602	1.09	0.86	1.09	1.44	0.69	0.76
3-(3-Indolyl)-2-oxopropanoic acid	ME483597	1.43	0.74	0.66	NA	NA	NA
Adenosine	ME483642	0.74	1.06	1.03	1.19	0.31	1.18
Dihydrouracil	ME483611	1.62	0.82	0.93	0.76	NA	0.92
Rosmarinic Acid	ME483576	0.70	1.08	1.27	1.22	0.14	0.82
2-Aminoisobutyric acid	ME483659	1.67	0.69	0.68	1.48	0.47	0.58
N-Methylhistamine	ME483666	1.18	0.60	0.51	2.78	0.17	1.04
Adenosine5^-monophosphate	ME483568	1.32	0.90	0.95	0.98	0.50	0.82
a-D-Galactose 1-phosphate	ME483578	0.98	1.13	0.75	1.26	0.62	0.75
L-Glutamate	ME483633	1.17	0.59	1.43	1.16	0.31	1.27
N-Methyl-L-glutamate	ME483667	1.06	0.88	1.05	1.64	0.21	0.66
5-Hydroxytryptophan	ME483600	1.44	1.07	0.48	1.20	0.30	0.49
1,2-DIPALMITOYL-RAC-GLYCERO-3-PHOSPHOETHANOLAMINE	ME483630	0.58	1.11	1.31	0.27	4.91	1.33
L-Arginine	ME483679	0.80	1.15	0.92	1.05	0.54	1.02
Pterine	ME483577	1.33	0.77	1.08	1.38	0.54	0.65
L-Methionine	ME483661	1.32	0.49	0.30	1.86	0.22	2.24
Paraxanthine	ME483653	0.41	1.26	0.74	0.99	1.86	1.62
Glutamine	ME483632	0.95	1.12	0.72	1.05	0.50	1.11
Guanidinosuccinic Acid	ME483654	1.32	0.80	1.06	1.39	0.88	0.56
L-Norleucine	ME483589	0.77	1.39	NA	0.92	NA	0.45
Pimelic acid	ME483558	0.62	0.48	2.09	1.64	2.59	1.17
Indole-3-acetamide	ME483690	0.81	0.57	2.85	0.39	0.45	0.60
Xanthine	ME483669	1.00	0.88	0.88	2.11	0.20	0.59
Stachyose	ME483603	1.09	0.88	1.01	1.23	1.49	0.95
SPHINGOMYELIN	ME483686	1.28	0.70	1.43	1.31	0.91	0.54
L-Histidine	ME483673	0.97	1.01	1.01	1.11	0.59	0.95
L-?-PHOSPHATIDYLCHOLINE	ME483681	2.24	0.65	0.51	0.92	0.62	0.43
Kynurenine	ME483592	1.39	1.15	0.52	0.74	0.34	0.68
3-Indoleacetic Acid	ME483689	1.44	0.49	0.44	2.85	0.69	0.38
Biliverdin IX	ME483559	0.88	0.59	1.01	2.62	0.96	1.05
Coenzyme Q10	ME483585	1.12	0.83	1.05	1.25	0.73	1.01
Hexylglutathione	ME483580	0.83	0.99	1.49	NA	NA	1.05
N-Acetylneuraminic Acid	ME483562	1.21	0.91	0.88	1.03	0.54	1.04
Pantothenic Acid	ME483564	0.60	1.17	1.09	1.22	1.01	0.93
L-Cystine	ME483636	1.31	0.78	0.89	1.20	0.53	1.12
2^,3^-Cyclic CMP	ME483660	2.65	0.46	0.50	0.64	0.56	0.50
3-Methyladenine	ME483615	0.95	0.90	1.18	0.72	0.35	1.49
Acetyllysine	ME483575	0.68	0.89	2.09	0.57	0.71	0.75
N,N-Dimethyl-1,4-phenylenediamine	ME483698	0.50	1.18	0.76	1.52	1.86	1.19
Ne,Ne,Ne-Trimethyllysine	ME483627	1.27	0.85	0.95	1.30	0.33	0.78
Hypoxanthine	ME483668	1.36	0.73	0.97	1.75	0.34	0.56
N-Acetyl-L-glutamic acid	ME483561	1.12	0.95	0.79	1.56	0.79	0.70
1-Methyladenosine	ME483570	0.98	0.92	0.75	1.51	1.59	1.14
Aniline	ME483658	0.76	1.37	0.65	1.28	0.24	0.57
3-Carboxypropyl trimethylammonium	ME483657	1.54	0.28	0.52	3.85	0.06	0.35
D-Fructose 6-phosphate	ME483664	1.63	0.93	0.57	1.04	0.25	0.62
Uridine monophosphate (UMP)	ME483645	1.29	0.87	0.93	1.07	0.56	0.89
Sarcosine	ME483556	2.49	0.33	0.92	1.23	0.14	0.17
a,a-Trehalose	ME483697	0.96	0.88	1.18	1.20	0.60	1.05
L-Tyrosine	ME483650	0.85	1.01	0.56	2.25	0.10	0.81
Melatonin	ME483682	1.74	0.69	0.98	0.72	0.81	0.84
Glucosaminic acid	ME483594	1.10	0.95	1.10	1.05	0.78	0.79
Cortisone	ME483620	0.03	2.61	0.06	0.03	0.01	0.02
Corticosterone	ME483610	0.84	0.83	1.50	1.40	1.36	0.78
5-Valerolactone	ME483625	0.95	1.24	0.77	0.92	0.63	0.75
Tryptamine	ME483655	0.32	1.22	0.96	1.57	0.40	1.21
L-Dopa	ME483649	1.34	0.85	1.11	0.79	0.21	0.90
D-Ribose	ME483613	1.45	0.96	0.71	1.03	0.33	0.70
Melibiose	ME483641	0.91	0.92	1.13	1.15	3.63	0.90
Pyridoxamine	ME483687	1.40	0.89	0.76	1.23	0.24	0.76
Cysteic acid	ME483608	1.10	0.92	1.11	0.84	0.85	1.07
Pyroglutamic acid	ME483695	0.97	1.01	1.04	1.09	0.88	0.89
6-Hydroxynicotinic acid	ME483609	0.81	1.17	0.94	0.82	0.47	1.12
D-(+)-Cellobiose	ME483619	0.90	1.06	1.50	0.76	0.63	0.57
Retinoic acid	ME483584	0.86	0.93	0.90	0.98	2.56	1.54
Homocystine	ME483601	1.07	1.03	0.78	1.20	1.63	0.83
Phylloquinone	ME483685	0.89	0.58	1.09	2.65	0.96	0.92
Guanidineacetic acid	ME483593	0.99	1.05	0.96	1.50	0.46	0.50
Niacinamide	ME483696	1.61	0.78	0.64	1.42	0.12	0.61
1-methylhistidine	ME483590	1.09	0.96	1.00	1.06	0.69	0.94
Quinoline	ME483691	0.72	1.17	1.24	0.91	0.71	0.76
L-Cystathionine	ME483635	1.62	0.40	1.79	1.37	0.59	0.31
DL-Homoserine	ME483574	1.25	0.89	1.06	0.88	0.51	0.92
(-)-Epinephrine	ME483616	1.73	0.36	1.40	1.18	0.07	0.97
L-Serine	ME483628	0.88	1.13	1.02	0.94	0.58	0.89
Tyramine	ME483618	0.79	1.50	0.55	0.89	0.48	0.58
L-Ornithine	ME483588	1.11	0.87	0.93	0.86	0.62	1.46
Creatine	ME483637	2.28	0.35	1.07	1.37	0.14	0.16
Nitrotyrosine	ME483656	1.41	0.55	0.36	2.04	0.19	1.65
Caffeine	ME483639	0.65	1.36	0.75	0.68	2.56	1.00
Citrulline	ME483596	1.15	0.81	1.16	0.71	0.58	1.39
L-Phenylalanine	ME483663	0.76	0.93	1.31	1.09	0.07	1.27
Indole-3-methyl acetate	ME483573	1.94	0.28	0.75	2.33	0.28	0.64
L-Methionine sulfoximine	ME483571	1.57	0.70	1.02	0.99	0.65	0.86
Betaine	ME483555	1.00	0.98	1.08	1.09	0.26	0.91
Uric acid	ME483670	1.07	0.95	1.11	1.07	1.00	0.80
DL-pipecolic acid	ME483622	0.73	1.27	0.83	0.90	0.84	1.02
4-Hydroxy-L-proline	ME483587	0.80	0.66	1.36	1.13	0.33	1.92
L-Asparagine	ME483672	1.05	1.03	0.98	1.04	0.32	0.87
(+)-a-Tocopherol	ME483647	1.01	0.90	1.00	1.35	1.18	0.97
L-Isoleucine	ME483677	1.40	0.84	1.01	0.94	0.35	0.81
Raffinose	ME483614	0.97	0.90	1.33	0.74	0.70	1.21
Glycocholic Acid	ME483604	1.36	0.96	0.75	1.01	0.55	0.77
Folic acid	ME483648	0.91	1.21	0.80	1.36	0.19	0.49
D-Biotin	ME483644	0.57	1.16	1.03	1.38	2.36	0.85
N-Acetyl-DL-tryptophan	ME483688	1.06	0.92	0.75	1.55	0.93	0.97
Taurine	ME483554	1.04	0.98	1.32	0.97	0.94	0.56
N-ALPHA-ACETYL-L-ASPARAGINE	ME483598	1.13	0.85	0.74	1.34	0.40	1.30
O-Succinyl-L-homoserine	ME483569	1.36	0.95	0.78	0.97	0.88	0.77
Sucrose	ME483638	0.93	0.76	1.58	0.99	0.75	1.19
phosphoenol pyruvate	ME483565	1.04	0.98	1.02	1.14	0.80	0.84
L-Lysine	ME483634	1.12	0.79	0.85	1.48	0.48	1.24
Serotonin	ME483612	0.69	1.27	0.62	1.09	1.26	1.19
3-Methoxytyramine	ME483626	1.19	0.96	0.83	1.13	0.23	0.91
Carnitine	ME483624	1.20	0.57	1.61	1.08	0.06	1.15
N6-(DELTA2-ISOPENTENYL)-ADENINE	ME483579	2.08	0.73	0.61	0.52	0.33	0.75
Diaminopimelic acid	ME483640	1.26	0.91	0.89	0.98	2.14	0.89
Deoxyadenosine	ME483693	1.40	0.80	0.95	1.22	0.51	0.74
L-Anserine	ME483553	0.46	0.74	0.48	0.22	9.10	3.74
S-(Carboxymethyl)-L-cysteine	ME483662	0.74	0.94	0.99	1.68	0.03	1.17
2-Aminophenol	ME483692	0.50	1.57	0.85	0.66	0.60	0.69
Carnosine	ME483586	0.88	1.25	0.93	0.75	0.66	0.77
S-(5-ADENOSYL)-L-METHIONINE	ME483572	1.13	0.82	0.84	1.84	0.72	0.80
3-(2-Hydroxyphenyl)propionic acid	ME483607	1.03	1.02	1.48	0.73	0.34	0.52
Riboflavin (Vitamin B2)	ME483684	1.08	0.90	1.01	1.30	0.28	0.92
cAMP	ME483652	1.13	0.98	0.89	1.21	0.55	0.82
cGMP	ME483680	1.37	0.80	0.94	1.10	0.75	0.92
Guanosine	ME483560	1.77	0.72	0.62	1.13	0.56	0.80
Creatinine	ME483651	1.02	1.06	0.90	1.04	0.72	0.87
Histamine	ME483617	0.86	0.91	0.96	1.61	0.65	1.06
5^-Deoxy-5^-(methylthio)adenosine	ME483581	1.09	0.64	1.61	1.50	0.11	0.73
Hypotaurine	ME483583	1.28	0.75	1.30	1.07	0.68	0.80
Arabinose	ME483567	1.77	0.39	0.74	2.35	0.08	0.62
L-Aspartic Acid	ME483631	0.88	0.83	1.35	1.06	0.75	1.27
Hydroxylysine	ME483563	1.31	0.60	1.09	1.35	0.36	1.30
MG(18:1(9Z)/0:0/0:0)[rac]	ME483557	0.41	1.17	0.79	1.51	0.74	1.48
Guanine	ME483678	0.88	0.64	0.44	1.24	0.89	2.95
Thiamine monophosphate	ME483621	1.28	1.03	0.74	0.92	0.56	0.81
Hippuric acid	ME483606	1.36	0.92	1.18	0.84	0.75	0.41
D-Mannose 6-phosphate	ME483595	1.15	1.07	0.68	1.44	0.41	0.55
Inosine	ME483643	1.22	0.62	0.99	1.08	0.53	1.74
Glutathione	ME483671	1.09	1.04	0.88	0.84	4.35	0.77
L-Tryptophan	ME483675	1.18	0.94	0.90	0.98	0.35	1.03
S-Adenosylhomocysteine	ME483694	1.31	0.72	0.86	1.90	0.07	0.76
Cortisol 21-acetate	ME483599	0.48	1.00	1.78	1.09	1.01	0.89
Xanthosine	ME483566	1.45	0.85	0.90	1.16	0.50	0.70
Adenine	ME483676	1.12	0.77	1.32	1.54	0.20	0.63
Dodecanoylcarnitine	ME483582	1.62	0.62	1.10	1.09	0.26	0.77

Factors:

F1	Time before death (weeks):1
F2	Time before death (weeks):12+
F3	Time before death (weeks):2
F4	Time before death (weeks):3
F5	Time before death (weeks):4
F6	Time before death (weeks):4+

Data matrix