Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolic features of chronic fatigue syndrome (Study ST000450)

HILIC POSITIVE ION MODE (Analysis AN000705)

Metabolite	Structure	F1	F2	F3	F4
Niacinamide	ME151556	0.08	3.50	0.17	0.08
Nicotinamide N-oxide	ME151557	0.20	2.81	0.54	0.35
Thiamine	ME151604	0.61	2.42	0.60	0.23
Cysteamine	ME151486	1.14	NA	0.84	NA
Dehydroisoandrosterone 3-sulfate	ME151492	0.89	NA	1.12	NA
LysoPC(22:0)	ME151547	1.04	NA	0.95	NA
Corticosterone	ME151483	0.98	NA	1.02	NA
Imidazole	ME151518	0.99	NA	1.01	NA
Adenine	ME151425	0.99	NA	1.01	NA
Adenosine triphosphate	ME151428	0.99	NA	1.01	NA
Cotinine	ME151484	2.40	0.06	0.87	0.50
BMP(18:1/16:1)	ME151435	1.87	0.60	0.93	0.46
BMP(18:1/18:2)	ME151437	1.73	0.53	1.11	0.51
Adenosine monophosphate	ME151427	0.69	0.70	0.84	1.94
Adenosine	ME151426	0.56	0.75	1.15	1.69
PS(34:1)	ME151587	0.89	0.90	0.80	1.50
GC(18:1/16:0)	ME151504	0.68	0.90	1.02	1.51
Inosine monophosphate	ME151520	0.83	0.69	0.96	1.63
Riboflavin	ME151595	0.86	1.45	1.03	0.60
Ceramide(d18:1/24:0)	ME151468	0.74	0.95	1.15	1.21
Ceramide(d18:1/22:0 OH)	ME151461	0.80	0.88	1.20	1.17
Ceramide(d18:1/22:0)	ME151462	0.78	0.90	1.17	1.20
Ceramide(d18:1/26:1 OH)	ME151475	0.78	0.89	1.18	1.21
Ceramide(d18:1/16:0)	ME151445	0.79	0.83	1.22	1.22
FAD	ME151503	0.83	0.85	1.14	1.23
Ceramide(d18:1/22:1)	ME151463	0.80	0.84	1.18	1.23
Ceramide(d18:1/24:1)	ME151469	0.79	0.87	1.16	1.23
THC 18:1/24:0	ME151602	0.78	0.86	1.18	1.24
Ceramide(d18:1/16:1 OH)	ME151446	0.86	0.82	1.22	1.15
Ceramide(d18:1/20:1)	ME151458	0.89	0.83	1.22	1.09
Ceramide(d18:1/22:2 OH)	ME151464	0.89	0.83	1.20	1.11
Ceramide(d18:1/20:0)	ME151456	0.81	0.85	1.24	1.14
Ceramide(d18:1/23:0) or Ceramide(d18:1/22:1 OH)	ME151466	0.77	0.94	1.21	1.12
Ceramide(d18:1/24:2 OH)	ME151470	0.79	0.90	1.23	1.11
DHC(18:1/16:0)	ME151488	0.88	0.70	1.27	1.22
Ceramide(d18:1/26:2)	ME151477	0.74	0.82	1.28	1.23
Ceramide(d18:1/22:2)	ME151465	0.79	0.79	1.35	1.11
Ceramide(d18:1/25:0)	ME151472	0.74	0.81	1.34	1.17
Ceramide(d18:1/18:0)	ME151450	0.81	0.69	1.43	1.12
Ceramide(d18:1/24:2)	ME151471	0.76	0.69	1.39	1.23
2-Octenoylcarnitine	ME151404	0.83	0.73	1.50	0.95
Lathosterol	ME151543	0.85	0.86	1.27	1.04
Ceramide(d18:1/18:2 OH)	ME151453	0.87	0.82	1.31	1.03
Ceramide(d18:1/20:1 OH)	ME151457	0.87	0.83	1.32	1.00
DHC(18:1/24:1)	ME151490	0.94	0.73	1.35	0.99
THC 18:1/16:0	ME151598	0.89	0.77	1.39	0.97
PC(16:0/20:4)	ME151568	1.11	0.74	1.23	0.90
PC(16:0/16:0)	ME151565	1.03	0.72	1.30	0.95
THC 18:1/24:1	ME151603	1.03	0.76	1.27	0.94
Ceramide(d18:1/20:2)	ME151460	0.95	0.81	1.31	0.93
THC 18:1/18:0	ME151599	0.97	0.83	1.28	0.93
PG(36:2)	ME151586	0.98	0.83	1.32	0.87
3-Hydroxyiso-/butyrylcarnitine	ME151413	1.01	0.80	1.34	0.83
Malonylcarnitine	ME151549	1.02	0.80	1.34	0.82
Oleoylcarnitine	ME151563	1.08	0.96	0.93	1.04
Suberylcarnitine	ME151597	1.04	1.01	0.92	1.03
Cholestenone	ME151478	1.01	0.93	1.03	1.05
Zymosterol	ME151611	1.01	0.92	1.05	1.03
L-Homoserine	ME151529	1.00	0.98	1.03	0.99
L-Phenylalanine	ME151534	1.00	0.96	1.05	1.00
7-Methylguanosine	ME151421	1.01	1.03	0.98	0.98
L-isoleucine	ME151540	1.01	1.00	1.00	0.98
L-leucine	ME151541	1.01	1.01	0.99	0.99
1-Methyladenosine	ME151399	0.98	0.99	1.00	1.03
Creatinine	ME151485	1.00	0.97	0.98	1.06
Glycerophosphocholine	ME151509	1.00	0.97	0.97	1.08
Ceramide(d18:1/20:0 OH)	ME151455	1.02	0.99	0.96	1.03
Isovalerylcarnitine	ME151521	1.00	1.00	0.96	1.05
3-Hydroxydodecanoylcarnitine	ME151409	0.98	0.87	1.03	1.15
Ethanolamine	ME151502	1.01	0.90	1.00	1.11
PS(34:2)	ME151588	0.92	1.02	1.05	1.01
Ceramide(d18:1/20:2 OH)	ME151459	0.95	0.96	1.07	1.03
Octanoylcarnitine	ME151562	0.94	0.96	1.06	1.05
3-Hydroxyhexanoylcarnitine	ME151412	0.90	0.94	1.12	1.05
Cytosine	ME151487	0.92	0.96	1.11	1.02
Hydroxycholesterol species	ME151516	0.92	0.94	1.05	1.12
THC 18:1/22:0	ME151601	0.90	0.96	1.03	1.14
24,25-Epoxycholesterol	ME151406	0.92	0.88	1.11	1.12
Ceramide(d18:1/16:2)	ME151448	0.87	0.92	1.11	1.12
24,25-Dihydrolanosterol	ME151405	1.14	0.87	1.07	0.91
1,25-Dihydroxyvitamin D3	ME151398	1.17	0.81	1.05	0.96
5-Methylthioadenosine	ME151419	1.16	0.83	1.03	0.96
Ceramide(d18:1/16:0 OH)	ME151444	1.04	0.82	1.06	1.09
CoQ9H2	ME151482	1.09	0.83	1.04	1.05
Palmitoylethanolamide	ME151589	1.11	0.84	1.05	0.99
5,6-trans-25-Hydroxyvitamin D3	ME151417	1.02	0.82	1.14	1.04
Ceramide(d18:1/18:1 OH)	ME151451	0.95	0.84	1.20	1.03
Anandamide	ME151431	0.95	0.89	1.12	1.06
Ceramide(d18:1/16:1)	ME151447	0.94	0.85	1.15	1.08
Lanosterin	ME151542	1.09	0.87	1.14	0.88
7-Dehydrocholesterol	ME151420	1.10	0.82	1.15	0.92
Vitamin D3	ME151609	1.10	0.81	1.16	0.91
Ceramide(d18:1/18:2)	ME151454	1.03	0.86	1.21	0.89
GC(18:1/24:0)	ME151505	1.02	0.84	1.19	0.95
9-Decenoylcarnitine	ME151423	1.04	0.81	1.20	0.94
Linoleylcarnitine	ME151544	1.06	0.82	1.19	0.93
9-Hexadecenoylcarnitine	ME151424	1.01	0.97	1.09	0.91
Ergosterol	ME151501	0.97	0.90	1.18	0.94
Ceramide(d18:1/18:1)	ME151452	0.99	0.88	1.16	0.97
Histamine	ME151514	0.97	0.88	1.18	0.97
Guanosine monophosphate	ME151512	1.00	0.88	1.09	1.04
Ceramide(d18:1/18:0 OH)	ME151449	1.00	0.90	1.11	0.99
Cholesterol	ME151479	1.04	0.88	1.09	0.99
Octadecanoylcarnitine	ME151561	1.07	0.90	1.06	0.97
Desmosterol	ME151495	1.06	0.88	1.11	0.93
Retinal	ME151594	1.07	0.88	1.11	0.94
2-Arachidonylglycerol	ME151403	0.85	0.96	1.25	0.95
Ceramide(d18:1/26:0 OH)	ME151473	0.92	1.00	1.20	0.87
Ceramide(d18:1/26:0)	ME151474	0.78	1.02	1.18	1.06
Ceramide(d18:1/26:1)	ME151476	0.78	1.10	1.07	1.09
Adipoylcarnitine	ME151429	1.07	1.09	0.77	1.07
Glycine	ME151510	1.09	1.03	0.92	0.94
5-Methyltetrahydrofolic acid	ME151418	1.04	1.14	0.85	0.94
L-Serine	ME151536	1.05	1.13	0.90	0.89
BMP(20:4/22:6)	ME151439	1.22	0.98	0.89	0.87
Hexanoylcarnitine	ME151513	1.16	0.94	0.98	0.90
BMP(16:0/16:0)	ME151433	1.25	1.06	0.83	0.80
THC 18:1/20:0	ME151600	1.13	1.14	0.90	0.79
Hydroxyproline	ME151517	0.99	1.43	0.59	0.97
Dimethylglycine	ME151497	0.82	1.47	0.80	0.88
1-Pyrroline-5-carboxylic acid	ME151401	0.96	1.37	0.70	0.95
Methionine sulfoxide	ME151550	0.94	1.34	0.78	0.91
Betaine	ME151440	0.85	1.33	0.87	0.94
L-Methionine	ME151532	0.92	1.27	0.80	0.99
Gamma-Aminobutyric acid	ME151507	0.69	1.41	0.78	1.16
Norepinephrine	ME151558	0.76	1.41	0.68	1.17
Phosphorylcholine	ME151590	0.73	1.17	0.86	1.30
L-Glutamic acid	ME151525	0.89	1.24	0.71	1.18
L-Glutarylcarnitine	ME151527	0.86	1.21	0.74	1.22
CoQ10H2	ME151481	0.91	1.18	0.77	1.17
L-Tyrosine	ME151538	0.85	1.21	0.80	1.17
N-Acetylornithine	ME151553	0.75	1.30	0.74	1.25
Ureidopropionic acid	ME151608	0.77	1.30	0.74	1.23
L-Histidine	ME151528	0.75	1.28	0.82	1.19
Ornithine	ME151564	0.81	1.28	0.77	1.16
Saccharopine	ME151596	0.82	1.25	0.77	1.20
3-Hydroxyhexadecanoylcarnitine	ME151410	0.88	0.97	0.96	1.25
Tiglylcarnitine	ME151605	0.91	0.94	0.94	1.26
Arachidonyl carnitine	ME151432	0.96	0.93	0.90	1.25
Butyrylcarnitine	ME151442	0.97	0.98	0.87	1.22
Pimelylcarnitine	ME151591	0.82	0.94	1.01	1.30
Ceramide(d18:1/24:0 OH)	ME151467	0.87	0.89	1.02	1.26
7-ketocholesterol	ME151422	0.91	0.90	1.03	1.20
DHC(18:1/24:0)	ME151489	0.87	0.90	1.08	1.20
Dopamine	ME151500	0.91	1.07	0.83	1.23
3-Hydroxyhexadecenoylcarnitine	ME151411	0.86	1.10	0.87	1.21
Homocysteine	ME151515	0.86	1.09	0.90	1.18
N-acetylputrescine	ME151554	0.81	1.18	0.86	1.19
Biotin	ME151441	0.86	1.18	0.84	1.15
L-Glutamine	ME151526	0.85	1.17	0.86	1.15
2-Aminoisobutyric acid	ME151402	0.87	1.14	0.85	1.18
Dimethyl-L-arginine	ME151496	0.86	1.13	0.87	1.17
L-Proline	ME151535	0.91	1.07	0.97	1.06
Purine	ME151593	0.93	1.02	0.99	1.08
L-Acetylcarnitine	ME151522	0.96	1.02	0.96	1.06
L-Carnitine	ME151524	0.96	1.02	0.95	1.08
Propionylcarnitine	ME151592	1.00	1.03	0.87	1.13
L-Palmitoylcarnitine	ME151533	0.91	1.02	0.95	1.15
3-Hydroxyisovaleryl Carnitine	ME151414	0.94	1.06	0.88	1.14
O-succinylcarnitine	ME151560	0.94	1.07	0.86	1.15
Choline	ME151480	0.91	1.07	0.93	1.11
L-Tryptophan	ME151537	0.92	1.07	0.91	1.13
L-Asparagine	ME151523	0.97	1.13	0.90	0.99
L-Lysine	ME151531	0.91	1.12	0.90	1.09
L-Valine	ME151539	0.96	1.10	0.90	1.06
1-Methylhistidine	ME151400	0.95	1.17	0.83	1.06
Methylcysteine	ME151551	0.91	1.15	0.84	1.11
Trimethylamine-N-oxide	ME151606	1.46	1.02	0.83	0.58
O-acetylserine	ME151559	1.38	0.66	1.26	0.62
PC(32:2)	ME151579	1.36	0.63	1.28	0.67
Deoxyadenosine monophosphate	ME151493	1.26	0.61	1.40	0.68
GC(18:2/16:0)	ME151506	1.27	0.58	1.45	0.64
LysoPC(16:0)	ME151545	1.54	0.42	1.46	0.48
BMP(18:1/16:0)	ME151434	1.53	0.45	1.29	0.66
Decanoylcarnitine	ME151491	1.40	0.50	1.43	0.61
LysoPC(18:0)	ME151546	1.47	0.52	1.34	0.59
3, 5-Tetradecadiencarnitine	ME151407	1.24	0.71	1.25	0.75
Dodecenoylcarnitine	ME151499	1.20	0.68	1.23	0.86
PC(18:1/18:1)	ME151571	1.20	0.66	1.31	0.80
PC(30:0)	ME151577	1.13	0.69	1.35	0.81
PC(32:1)	ME151578	1.14	0.69	1.32	0.82
PC(20:4/P-16:0)	ME151573	1.30	0.77	1.10	0.79
Alpha-Tocopherol	ME151430	1.24	0.82	1.07	0.83
Vitamin K2	ME151610	1.26	0.80	1.08	0.82
3-Hydroxy-cis-5-tetradecenoylcarnitine	ME151408	1.29	0.79	1.07	0.81
3-Hydroxyoleoylcarnitine	ME151416	1.29	0.81	1.04	0.83
PC(16:0/18:2)	ME151567	1.13	0.81	1.22	0.81
Urea	ME151607	1.12	0.82	1.20	0.83
PC(34:2)	ME151581	1.17	0.78	1.23	0.79
PC(18:0/18:2)	ME151570	1.21	0.78	1.19	0.77
PC(24:0/P-18:0)	ME151576	1.19	0.80	1.21	0.75
3-Hydroxylinoleylcarnitine	ME151415	1.18	0.82	1.11	0.87
N-oleoylethanolamine	ME151555	1.18	0.82	1.10	0.87
PC(16:0/18:1)	ME151566	1.16	0.81	1.16	0.84
PC(34:1)	ME151580	1.15	0.82	1.15	0.86
PC(36:1)	ME151583	1.22	0.79	1.15	0.80
Dodecanoylcarnitine	ME151498	1.23	0.74	1.15	0.85
Myristoylcarnitine	ME151552	1.20	0.76	1.16	0.85
LysoPC(24:1)	ME151548	1.50	0.81	1.10	0.48
PC(20:5/P-16:0)	ME151574	1.52	0.85	0.93	0.59
PC(22:6/P-18:0)	ME151575	1.49	0.78	0.98	0.66
BMP(18:1/18:1)	ME151436	1.46	0.66	1.11	0.69
PC(38:5)	ME151584	1.38	0.75	1.12	0.69
Ceramide(d18:1/12:0)	ME151443	1.36	0.87	1.11	0.57
PC(16:0/22:6)	ME151569	1.33	0.83	1.06	0.72
PC(36:0)	ME151582	1.31	0.84	1.03	0.75
PC(18:3/22:4)	ME151572	1.40	0.84	1.02	0.65
PC(40:6)	ME151585	1.40	0.79	1.05	0.70
Thymine	ME151623	NA	1.06	NA	0.93
Carnosine	ME151615	NA	1.05	NA	0.93
Alanine	ME151613	NA	1.05	NA	0.94
Sarcosine	ME151620	NA	1.05	NA	0.94
Aspartylglycosamine	ME151614	NA	1.03	NA	0.96
Spermine	ME151621	NA	1.01	NA	0.98
Ceramide(d18:1/16:2 OH)	ME151616	NA	0.89	NA	1.14
Cobalamin	ME151617	NA	0.95	NA	1.07
GC(18:1/24:1)	ME151618	NA	0.92	NA	1.10
L-Cystathionine	ME151619	NA	1.41	NA	0.50
Testosterone	ME151622	NA	1.21	NA	0.74
BMP(18:1/20:4)	ME151438	0.65	1.32	0.69	1.41
L-Kynurenine	ME151530	0.66	1.41	0.67	1.32
Glycylproline	ME151511	0.56	1.40	0.60	1.54
Imidazoleacetic acid	ME151519	0.55	1.56	0.56	1.40
beta-Alanine	ME151612	0.58	1.67	0.24	1.61
Deoxyuridine	ME151494	0.35	1.63	0.38	1.77
Glucosamine	ME151508	0.39	1.67	0.38	1.68

Factors:

F1	Disease:CFS \| gender:Female
F2	Disease:CFS \| gender:Male
F3	Disease:Normal \| gender:Female
F4	Disease:Normal \| gender:Male

Data matrix