Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Insights into the pathogenesis of myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS) through metabolomic profiling of cerebrospinal fluid (part I) (Study ST000910)

GC POSITIVE ION MODE (Analysis AN001480)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
2-deoxyerythritol	ME230691	0.41	6.15	0.24	0.33	0.19	0.25
squalene	ME230615	0.64	2.59	0.79	1.05	0.69	0.91
3-hydroxybutyric acid	ME230685	0.68	0.67	0.83	0.84	1.85	1.97
maleimide	ME230638	0.86	0.30	1.03	0.73	1.60	1.89
2-hydroxyvaleric acid	ME230687	0.78	1.09	0.81	0.88	1.04	2.64
citramalic acid	ME230674	0.80	1.12	0.60	0.56	1.62	2.86
phenylalanine	ME230626	0.77	0.56	0.67	0.77	2.81	0.72
isoleucine	ME230648	0.96	0.69	0.88	0.95	1.68	0.86
valine	ME230604	0.90	0.80	0.85	1.01	1.72	0.85
leucine	ME230643	0.83	0.65	0.82	0.94	2.11	0.82
tryptophan	ME230608	0.88	0.82	0.73	0.86	2.18	0.73
lignoceric acid	ME230641	0.59	1.18	1.22	1.06	0.51	2.02
1-methylgalactose NIST	ME230694	0.79	0.85	1.08	1.16	0.70	1.95
phosphoethanolamine	ME230624	0.61	0.97	1.15	1.15	0.81	1.85
conduritol-beta-epoxide	ME230672	0.60	0.60	1.13	1.81	0.87	1.19
creatinine	ME230671	1.46	0.35	1.16	0.80	0.56	1.22
glyceric acid	ME230662	1.30	1.44	0.73	0.56	1.04	1.15
pentadecanoic acid	ME230627	0.83	1.57	0.97	0.98	0.97	0.77
sucrose	ME230612	0.68	0.68	1.29	0.71	1.21	1.47
threonine	ME230609	0.73	0.81	1.09	0.87	1.42	1.22
1-monoheptadecanoyl glyceride NIST	ME230693	0.90	0.87	0.99	0.82	1.27	1.42
mannose	ME230637	0.76	0.82	0.97	1.03	1.36	1.45
octadecanol	ME230633	0.91	1.07	1.06	0.99	0.80	1.34
succinic acid	ME230613	0.83	1.02	1.18	1.02	0.63	1.46
hexitol	ME230654	1.15	0.89	1.00	1.30	0.63	0.86
uric acid	ME230605	0.92	1.09	0.80	1.47	1.08	0.93
putrescine	ME230622	1.01	1.07	1.05	1.02	0.98	0.64
threonic acid	ME230610	1.08	1.06	1.09	1.01	0.78	0.64
lysine	ME230640	0.91	0.95	1.04	1.21	1.10	0.59
ribonic acid	ME230620	1.00	0.91	1.05	1.14	1.07	0.54
N-acetylmannosamine	ME230634	0.94	0.96	1.06	1.15	0.97	0.76
threitol	ME230611	0.91	0.82	1.06	1.28	0.99	0.84
aspartic acid	ME230680	1.20	0.87	0.97	0.87	1.08	0.79
erythritol	ME230668	1.13	1.16	0.85	1.05	0.96	0.91
4-hydroxybutyric acid	ME230683	1.04	1.14	0.97	0.92	0.86	1.20
hexadecane	ME230655	1.03	0.98	1.04	0.92	0.88	1.17
myo-inositol	ME230636	1.07	0.96	0.96	1.05	0.89	1.18
capric acid	ME230676	0.97	1.08	1.08	1.02	0.86	0.84
palmitic acid	ME230629	1.04	1.10	1.00	1.02	0.88	0.89
glycolic acid	ME230657	1.01	1.16	1.03	0.94	0.85	1.00
beta-alanine	ME230678	1.00	1.07	1.07	1.00	0.79	1.00
glycerol	ME230661	1.02	1.13	1.04	0.99	0.79	0.99
dodecanol	ME230669	1.04	1.04	0.98	1.04	0.90	1.05
oleic acid	ME230632	1.02	1.07	0.99	0.97	0.95	0.99
stearic acid	ME230614	1.03	1.05	1.00	1.01	0.90	0.99
arachidic acid	ME230681	1.02	1.00	1.04	1.01	0.87	1.05
hydroxylamine	ME230651	1.05	0.97	1.04	0.97	0.88	1.01
caprylic acid	ME230675	0.97	1.02	1.10	1.02	0.83	0.93
benzoic acid	ME230679	0.99	1.00	1.06	1.01	0.89	0.98
isobutene glycol NIST	ME230650	0.99	1.02	1.07	1.01	0.86	0.99
ethanolamine	ME230667	0.96	1.13	1.05	0.85	1.00	0.96
heptadecanoic acid	ME230656	0.98	1.21	0.96	0.93	0.97	1.07
myristic acid	ME230635	0.99	1.24	0.98	0.94	0.94	0.95
ribitol	ME230621	0.96	0.83	1.08	1.04	0.99	1.03
xylose	ME230602	0.91	0.93	1.04	1.13	1.00	1.00
3-hydroxypropionic acid	ME230684	1.00	0.99	1.08	0.94	0.94	0.92
lauric acid	ME230644	1.01	0.96	1.12	0.89	0.88	0.97
pelargonic acid	ME230628	0.95	0.90	1.13	0.89	1.03	0.92
urea	ME230606	0.93	0.97	1.08	0.99	1.01	0.92
glycerol-3-galactoside	ME230660	0.97	1.06	1.01	0.94	1.03	0.95
isothreonic acid	ME230646	0.99	1.01	0.97	0.99	1.10	0.96
glucose	ME230664	0.93	0.94	1.01	1.04	1.10	1.01
isoribose	ME230647	0.95	0.96	1.01	0.97	1.07	1.09
xylulose NIST	ME230601	0.99	0.95	1.00	0.97	1.06	1.05
2-deoxypentitol NIST	ME230690	0.95	0.97	1.05	0.93	1.05	1.04
hydroxycarbamate NIST	ME230652	0.96	0.94	1.06	0.96	1.01	1.01
lyxitol	ME230639	1.03	0.94	0.98	0.92	1.16	0.92
ribose	ME230619	1.03	0.85	1.02	1.04	1.07	0.86
fucose	ME230666	0.96	0.91	1.02	1.01	1.12	0.91
phosphate	ME230625	1.00	0.95	1.01	1.01	1.08	0.86
3-aminoisobutyric acid	ME230686	1.02	0.87	1.12	0.93	0.83	1.11
butyrolactam NIST	ME230677	1.06	0.81	1.09	0.89	0.94	1.08
lactic acid	ME230645	0.93	0.96	1.11	0.88	0.95	1.16
xylitol	ME230603	0.92	0.95	1.07	0.90	1.05	1.16
deoxypentitol	ME230670	1.08	0.90	1.04	0.77	1.03	1.13
serine	ME230618	1.05	0.97	0.99	0.84	1.08	1.07
glycerol-alpha-phosphate	ME230659	1.01	0.71	0.95	1.22	1.12	1.03
2-hydroxybutanoic acid	ME230688	0.96	0.84	0.93	1.04	1.19	1.28
levoglucosan	ME230642	0.84	0.83	1.09	1.04	1.08	1.20
oxoproline	ME230630	0.99	1.14	0.93	0.92	1.20	0.83
tyrosine	ME230607	1.04	1.04	0.83	0.92	1.37	0.90
alanine	ME230682	0.89	0.78	0.91	1.23	1.40	0.85
hexuronic acid	ME230653	0.99	0.85	0.96	0.91	1.41	0.77
ornithine	ME230631	0.92	0.80	1.01	0.95	1.40	0.81
glutamine	ME230663	0.97	0.87	1.02	1.02	1.25	0.69
glycine	ME230658	0.91	0.91	1.03	0.97	1.27	0.80
shikimic acid	ME230617	0.80	1.00	1.07	1.04	1.20	0.86
pseudo uridine	ME230623	1.00	0.93	0.92	1.07	1.17	0.97
sorbitol	ME230616	0.85	0.91	0.97	1.20	1.23	0.95
citric acid	ME230673	0.91	0.87	0.99	1.14	1.14	1.02
isocitric acid	ME230649	0.89	0.90	1.00	1.11	1.17	0.98
2-deoxytetronic acid	ME230689	0.87	0.86	1.02	0.95	1.30	1.08
2-aminobutyric acid	ME230692	0.97	0.87	0.94	1.01	1.31	0.94
gluconic acid	ME230665	0.90	0.97	0.96	1.02	1.31	0.90

Factors:

F1	Diagnosis:MECFS \| Sex:FEMALE
F2	Diagnosis:MECFS \| Sex:MALE
F3	Diagnosis:MS \| Sex:FEMALE
F4	Diagnosis:MS \| Sex:MALE
F5	Diagnosis:ND \| Sex:FEMALE
F6	Diagnosis:ND \| Sex:MALE

Data matrix