Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Comparative metabolomics of MCF-7 breast cancer cells using different extraction solvents assessed by mass spectroscopy (Study ST001265)

GC UNSPECIFIED ION MODE (Analysis AN002102)

Metabolite	Structure	F1	F2	F3	F4	F5
Boric acid, 3TMS derivative	ME294514	NA	0.16	0.16	2.68	NA
Cholesterol, TMS derivative	ME294620	0.79	0.14	0.37	3.16	0.54
Cyclohexasiloxane, dodecamethyl-	ME294539	2.45	0.67	0.27	0.62	NA
Phenol, 2,2^-methylenebis[6-(1,1-dimethylethyl)-4-methyl-	ME294607	2.41	NA	0.07	NA	0.53
Glucopyranose, 5TMS derivative	ME294579	NA	2.47	1.53	0.00	0.00
3-Aminoisobutyric acid, 3TMS derivative	ME294537	NA	1.13	1.45	0.42	NA
L-5-Oxoproline, , 2TMS derivative	ME294555	NA	1.35	1.20	1.29	0.17
Lactic Acid, 2TMS derivative	ME294515	0.16	1.00	1.15	NA	1.69
Palmitic Acid, TMS derivative	ME294585	0.26	0.92	1.63	0.12	2.08
Stearic acid, TMS derivative	ME294598	0.27	0.98	1.66	0.12	1.97
L-Leucine, TMS derivative	ME294524	NA	2.10	0.83	0.08	1.00
Glyceric acid, 3TMS derivative	ME294541	NA	1.20	1.26	0.68	0.86
Octadecane-1,2-diol, 2TMS derivative	ME294591	NA	1.23	0.95	0.70	1.12
Oleic Acid, (Z)-, TMS derivative	ME294597	NA	1.28	0.95	0.53	1.24
Phosphoric acid, bis(trimethylsilyl) 2,3-bis[(trimethylsilyl)oxy]propyl ester	ME294570	NA	1.74	1.29	0.11	0.85
Alanine, 2TMS derivative	ME294519	NA	1.68	0.74	NA	0.58
L-Valine, TMS derivative	ME294518	NA	1.44	0.87	NA	0.70
Myo-Inositol, 1,3,4,5,6-pentakis-O-(trimethylsilyl)-, bis(trimethylsilyl) phosphate	ME294608	NA	1.40	0.88	NA	0.72
Glycine, 2TMS derivative	ME294521	NA	1.32	1.02	NA	0.65
Malic acid, 3TMS derivative	ME294552	NA	1.21	1.14	NA	0.64
2-Butenedioic acid, (E)-, 2TMS derivative	ME294540	NA	0.94	1.54	0.36	1.15
L-Isoleucine, TMS derivative	ME294527	NA	1.12	1.39	0.17	1.32
1-Monopalmitin, 2TMS derivative	ME294611	NA	1.41	1.36	0.00	1.23
Butanedioic acid, 2TMS derivative	ME294538	NA	1.32	1.29	0.23	1.15
Glycerol monostearate, 2TMS derivative	ME294617	0.26	1.30	1.31	NA	1.12
Thiodiglycol, 2TMS derivative	ME294545	0.23	1.38	1.07	NA	1.32
benzene, 1,1^-methylenebis[3-(1,1-dimethylethyl)-5-methyl-4-[(trimethylsilyl)oxy]-	ME294610	NA	0.94	1.40	NA	0.67
Pyroglutamic acid, TMS derivative	ME294553	NA	0.69	1.10	NA	1.21
Erythro-Pentonic acid, 2-deoxy-3,4,5-tris-O-(trimethylsilyl)-, trimethylsilyl ester	ME294568	NA	1.01	1.14	NA	0.85
2,3,4-Trihydroxybutyric acid tetrakis	ME294558	NA	0.83	1.11	NA	1.06
Ethylphosphonic acid, 2TMS derivative	ME294543	NA	0.87	1.12	NA	1.01
Glycolic acid, 2TMS derivative	ME294516	NA	0.88	1.08	NA	1.04
2-Monostearin, 2TMS derivative	ME294616	NA	1.28	0.67	NA	1.05
1,1,1,5,7,7,7-Heptamethyl-3,3-bis(trimethylsiloxy)tetrasiloxane	ME294615	NA	1.11	0.93	NA	0.96
2,3-Dihydroxypropyl icosanoate, 2TMS derivative	ME294619	NA	1.15	0.87	NA	0.97
1-Monomyristin, 2TMS derivative	ME294603	NA	1.19	0.85	NA	0.96
Heptadecanoic acid, glycerine-(1)-monoester, bis-O-trimethylsilyl-	ME294614	NA	1.21	0.86	NA	0.93
Triethanolamine, 3TMS derivative	ME294563	NA	1.07	0.88	NA	1.05
9,12-Octadecadienoic acid (Z,Z)-, TMS derivative	ME294596	NA	1.04	0.96	NA	1.00
L-Threonine, 2TMS derivative	ME294536	NA	1.00	1.00	NA	1.00
Trisiloxane, 1,1,1,5,5,5-hexamethyl-3,3-bis[(trimethylsilyl)oxy]-	ME294528	NA	1.00	0.76	NA	1.25
Stigmast-5-ene, 3.beta.-(trimethylsiloxy)-, (24S)-	ME294622	NA	0.95	0.88	NA	1.17
Stigmasterol, TMS derivative	ME294621	NA	0.93	0.95	NA	1.13
2-Methyl-6-tert-butylphenol, TMS derivative	ME294609	1.35	0.77	0.70	NA	1.19
Octasiloxane, 1,1,3,3,5,5,7,7,9,9,11,11,13,13,15,15-hexadecamethyl-	ME294605	1.62	1.15	0.58	0.35	1.29
Glycerol, 3TMS derivative	ME294535	0.24	NA	1.02	0.12	2.62
Heptadecyl acetate	ME294595	0.57	NA	0.55	NA	1.89
D-Pinitol, pentakis(trimethylsilyl) ether	ME294577	0.45	NA	1.17	NA	1.38
N,N-Dimethyldodecanamide	ME294599	1.05	NA	0.71	NA	1.24

Factors:

F1	Exctraction:0.2% Ammonium hydroxide in water
F2	Exctraction:0.2% Formic acid in water
F3	Exctraction:Acetonitrile/Water
F4	Exctraction:Ethyl acetate
F5	Exctraction:Methanol/Water

Data matrix