Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Extraction Optimization Study (Study ST000012)

GCMS positive ion mode (Analysis AN000029)

Metabolite	Structure	F1	F2	F3	F4
arabitol	ME643883	1.95	0.30	1.62	0.13
inulobiose	ME643912	2.20	0.97	0.36	0.47
glucose-1-phosphate	ME643897	1.96	1.37	0.33	0.34
isogalactinol	ME643913	2.05	1.69	0.13	0.14
2-isopropylmalic acid	ME643872	0.42	0.31	1.88	1.39
adenosine-5-monophosphate	ME643880	0.18	0.28	1.90	1.64
glucuronic acid	ME643898	0.96	2.42	0.27	0.34
ribose	ME643942	1.09	2.48	0.21	0.22
putrescine	ME643939	0.61	1.78	1.08	0.53
glucose 2	ME643896	0.81	1.94	0.51	0.73
guanine	ME643905	1.26	1.83	0.37	0.54
xylose	ME643952	1.19	1.91	0.38	0.52
putrescine CO2 adduct	ME643941	0.97	1.95	0.72	0.36
acetohydroxamic acid	ME643877	1.12	1.78	0.57	0.54
glucose	ME643895	0.97	1.82	0.67	0.54
nicotinic acid	ME643926	0.69	0.69	0.58	2.05
lysine	ME643922	0.32	0.92	1.61	1.15
threonic acid	ME643946	0.92	0.34	1.60	1.15
3-aminoisobutyric acid	ME643874	0.71	0.47	1.59	1.23
5^-deoxy-5^-methylthioadenosine	ME643876	0.82	0.50	1.57	1.11
succinic acid	ME643945	0.96	0.86	0.82	1.35
phosphoric acid	ME643936	0.86	0.76	1.33	1.05
lignoceric acid	ME643919	0.64	0.93	1.14	1.29
oxoproline	ME643929	0.65	0.97	1.18	1.20
arachidonic acid	ME643884	0.99	0.68	1.03	1.30
oleic acid	ME643928	1.01	0.67	1.09	1.22
cerotic acid	ME643889	0.82	0.83	1.13	1.23
pelargonic acid	ME643932	0.80	0.86	1.11	1.23
elaidic acid	ME643890	0.84	0.72	1.12	1.31
linoleic acid	ME643920	0.85	0.77	1.09	1.29
linolenic acid	ME643921	0.87	0.80	1.06	1.27
uridine	ME643950	0.53	0.45	1.46	1.56
leucrose	ME643918	0.76	0.61	1.12	1.50
hydroxylamine	ME643908	0.62	0.58	1.15	1.65
phosphoethanolamine	ME643935	0.67	0.60	1.10	1.63
glutamic acid	ME643899	0.59	0.65	1.35	1.41
3-hydroxypyridine	ME643875	0.49	0.77	1.24	1.51
asparagine	ME643885	0.63	0.78	1.17	1.42
inositol-4-monophosphate	ME643911	0.58	0.74	1.14	1.54
icosenoic acid	ME643909	1.50	0.54	0.96	1.00
benzoic acid	ME643887	1.06	1.08	0.88	0.98
glycolic acid	ME643904	1.12	1.17	0.73	0.98
ethanolamine	ME643891	1.24	0.93	0.99	0.84
capric acid	ME643888	1.24	1.04	0.80	0.92
phytol	ME643937	1.23	1.05	0.82	0.90
heptadecanoic acid	ME643907	1.17	1.00	0.88	0.95
myristic acid	ME643925	1.22	1.01	0.88	0.89
galactinol	ME643894	1.18	0.83	0.85	1.13
glycerol-alpha-phosphate	ME643901	0.96	0.91	1.01	1.13
stearic acid	ME643944	0.97	0.84	1.03	1.15
glycerol-beta-phosphate	ME643902	1.00	0.96	0.95	1.09
valine	ME643951	0.94	1.01	0.98	1.07
alanine	ME643881	1.10	0.91	1.00	0.99
palmitoleic acid	ME643931	1.05	0.95	0.86	1.14
2-monopalmitin	ME643873	1.10	0.94	0.91	1.05
palmitic acid	ME643930	1.07	0.88	0.95	1.10
adenine	ME643878	0.82	1.37	0.88	0.93
aspartic acid	ME643886	0.75	1.37	0.87	1.02
isoleucine	ME643914	1.01	1.37	0.78	0.84
octadecanol	ME643927	1.00	1.24	0.85	0.91
phenylalanine	ME643934	0.91	1.31	0.88	0.91
glycine	ME643903	0.91	1.30	0.82	0.97
inositol myo-	ME643910	0.97	1.31	0.78	0.94
alpha ketoglutaric acid	ME643882	0.79	1.03	1.22	0.95
serine	ME643943	0.80	1.05	1.06	1.09
proline	ME643938	0.82	1.17	0.97	1.04
putrescine 3TMS	ME643940	0.81	1.20	0.90	1.09
adenosine	ME643879	1.34	1.55	0.36	0.76
maltotriose minor	ME643923	1.57	1.39	0.50	0.54
lauric acid	ME643916	1.40	0.86	1.02	0.71
fructose	ME643892	1.39	1.07	0.81	0.72
fructose 2	ME643893	1.42	1.05	0.86	0.66
lactic acid	ME643915	1.47	1.22	0.65	0.66
pentadecanoic acid	ME643933	1.29	1.18	0.74	0.79
glycerol	ME643900	1.29	1.25	0.71	0.74
monopalmitin-1-glyceride	ME643924	1.33	1.21	0.68	0.78
guanosine	ME643906	1.18	1.37	0.67	0.78
tocopherol	ME643948	1.29	1.36	0.67	0.68
leucine	ME643917	1.18	1.41	0.86	0.55
threonine	ME643947	0.95	1.52	0.70	0.83
tyrosine	ME643949	1.10	1.48	0.73	0.69

Factors:

F1	SamplePrepTreatment:Glass Beads,Chloroform
F2	SamplePrepTreatment:Glass Beads,Isopropanol
F3	SamplePrepTreatment:Steel Ball,Chloroform
F4	SamplePrepTreatment:Steel Ball,Isopropanol

Data matrix