Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004161)

HILIC POSITIVE ION MODE (Analysis AN006906)

Metabolite	Structure	F1	F2	F3	F4
Methionine sulfoxide	ME1114681	3.22	0.71	0.71	0.78
Inosine	ME1114673	0.25	0.94	1.89	0.74
Cotinine	ME1114634	0.50	1.37	1.21	0.58
Adenosine	ME1114611	NA	0.73	1.22	0.80
Phosphocreatine	ME1114698	NA	0.96	1.04	0.96
Ethanolamine	ME1114650	1.67	0.78	1.02	0.86
Choline	ME1114633	1.62	0.82	0.98	0.94
Phenylalanine	ME1114697	1.57	0.86	0.97	0.93
Aspartic acid	ME1114620	1.86	0.88	0.90	0.88
Serine	ME1114715	1.71	0.90	0.90	0.96
Dihydrouracil	ME1114603	1.75	0.87	0.92	0.92
Ornithine	ME1114696	1.81	0.85	0.92	0.92
Arginine	ME1114617	1.99	0.81	0.92	0.85
Isoleucine	ME1114674	1.85	0.79	0.98	0.83
Glutamic acid	ME1114655	2.36	0.75	0.89	0.76
sn-Glycero-3-phosphocholine	ME1114658	2.49	0.77	0.83	0.83
Vitamin D3	ME1114632	2.08	0.77	0.87	1.10
Caffeine	ME1114627	2.13	0.95	0.78	0.91
Pyroglutamic acid	ME1114705	2.19	0.87	0.79	1.00
Trigonelline	ME1114728	1.15	1.31	0.69	1.22
Dimethylglycine	ME1114646	0.65	0.72	1.36	0.72
Serotonin	ME1114716	0.86	0.93	1.24	0.66
Lysine	ME1114679	1.35	0.86	1.03	0.93
Tryptophan	ME1114732	1.33	0.83	1.05	0.95
Creatine	ME1114635	1.39	0.87	0.99	1.00
Leucine	ME1114677	1.37	0.85	1.02	0.97
Taurine	ME1114721	1.44	0.89	0.99	0.91
beta-Alanine	ME1114621	1.36	0.94	0.98	0.88
Histidine	ME1114664	1.38	0.89	1.01	0.89
Homoarginine	ME1114665	1.23	0.84	1.08	0.92
Retinol	ME1114707	1.17	0.94	0.98	1.10
Asparagine	ME1114619	1.21	0.96	0.98	1.01
Glycine	ME1114659	1.26	1.00	0.93	1.01
Alanine	ME1114613	1.21	0.89	1.03	0.99
Proline	ME1114702	1.29	0.94	0.97	1.01
Methylcysteine	ME1114717	1.27	0.89	1.01	1.01
Tyrosine	ME1114734	1.30	0.88	1.01	0.99
Theobromine	ME1114723	1.13	0.73	1.18	0.90
3-Aminoisobutanoic acid	ME1114598	0.95	1.07	0.98	0.95
Pipecolic acid	ME1114701	1.02	1.08	0.93	1.05
Vitamin D2	ME1114649	0.98	1.04	0.96	1.07
5^-Methylthioadenosine	ME1114606	0.98	0.91	1.09	0.91
N-6-Trimethyllysine	ME1114685	0.94	0.91	1.11	0.88
Kynurenine	ME1114678	0.89	0.95	1.07	0.98
1-Methyladenosine	ME1114589	0.97	0.99	1.02	1.00
Carnitine	ME1114629	1.02	0.90	1.07	0.99
3-Dehydroxycarnitine	ME1114643	0.99	0.92	1.05	1.01
4-Guanidinobutanoic acid	ME1114601	0.96	0.93	1.06	1.00
5-Aminopentanoic acid	ME1114604	0.97	0.95	1.04	1.01
Dimethylarginine	ME1114645	1.16	0.96	1.02	0.89
Cadaverine	ME1114626	1.07	0.97	1.01	0.98
Epinephrine	ME1114648	1.06	0.95	1.03	0.97
Methionine	ME1114680	1.09	0.93	1.03	0.99
Threonine	ME1114726	1.10	0.96	1.01	0.98
Hypotaurine	ME1114669	1.12	0.86	1.07	0.96
Valine	ME1114738	1.09	0.86	1.08	0.98
trans-4-Hydroxyproline	ME1114668	1.07	0.90	1.05	0.99
Uridine	ME1114737	1.10	0.88	1.05	1.02
Trimethylamine N-oxide	ME1114730	0.83	0.93	1.13	0.86
1-Methyl nicotinamide	ME1114593	0.76	0.87	1.13	1.10
Creatinine	ME1114636	0.80	0.93	1.10	1.01
N-Acetylarginine	ME1114686	0.84	0.86	1.13	1.02
1-Methylhistidine	ME1114588	1.02	0.83	1.12	0.99
CAR 4:0;3Me	ME1114675	0.93	0.79	1.16	1.02
Indole	ME1114672	0.90	0.82	1.14	1.03
Retinal	ME1114706	0.88	0.84	1.04	1.41
Cystine	ME1114640	0.40	0.98	1.16	1.04
CAR 2:0	ME1114609	0.67	1.04	1.02	1.13
N6-Acetyllysine	ME1114684	0.83	0.99	1.04	1.04
7-Methylguanine	ME1114608	0.77	1.03	1.03	1.03
Glutamine	ME1114656	0.75	1.07	1.00	1.06
Sarcosine	ME1114712	0.52	1.10	1.04	1.02
Homocitrulline	ME1114666	0.66	0.91	1.14	1.02
"N2,N2-Dimethylguanosine"	ME1114683	0.63	1.00	1.08	1.05
CAR DC4:0	ME1114720	0.62	0.99	1.11	0.97
CAR DC5:0	ME1114657	0.59	1.03	1.08	1.01
Niacinamide	ME1114693	0.60	1.03	1.08	0.99

Factors:

F1	Sample source:Instrument QC \| Group:n/a
F2	Sample source:Plasma \| Group:WeightLoss
F3	Sample source:Plasma \| Group:WeightStable
F4	Sample source:Sample QC (pooled study samples) \| Group:n/a

Data matrix