Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Urinary Volatile Compound, Associated with Chronic Inflammation In Interstitial Cystitis (Study ST000603)

GC POSITIVE ION MODE (Analysis AN000923)

Metabolite	Structure	F1	F2
Benzene, (1-methylethyl)-	ME171169	0.88	1.15
benzoylformic acid	ME171176	0.80	1.13
Ethylbenzene	ME171151	0.82	1.18
o-Xylene	ME171153	0.82	1.18
2,4,6-Octatrienal	ME171186	0.66	1.17
4-Carene, (1S,3R,6R)-(-)-	ME171182	0.70	1.30
5-Methyl-1-heptanol	ME171188	0.71	1.29
Acetophenone	ME171170	0.72	1.24
4-pentenal, 2-methyl	ME171167	0.75	1.25
Benzene, 1,3-bis(1,1-dimethylethyl)-	ME171149	0.73	1.27
Benzene, chloro-	ME171177	1.02	0.97
Allyl Isothiocyanate	ME171160	1.05	0.96
Methyl Isobutyl Ketone	ME171171	1.03	0.95
Amylene Hydrate	ME171183	1.12	0.92
Pyrrole	ME171166	1.08	0.93
2-Heptanone	ME171145	1.09	0.91
4-Heptanone	ME171146	1.10	0.90
Benzoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester	ME171150	0.91	1.09
2-Heptanone, 4-methyl-	ME171144	0.92	1.08
Benzene, (2-isothiocyanatoethyl)-	ME171175	0.93	1.08
2-Heptanone, 4,6-dimethyl-	ME171143	0.96	1.04
Hexane	ME171162	0.99	1.01
toluene	ME171157	0.98	1.02
Hexaethylene glycol dimethyl ether	ME171152	0.98	1.02
styrene	ME171154	0.98	1.02
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1à,2á,5à)-(ñ)-	ME171161	1.28	0.69
t-Butyl ethyl ether2	ME171155	1.31	0.72
Benzene, (1-methyl-1-butenyl)-	ME171174	1.18	0.76
Benzaldehyde, 4-methyl-	ME171147	1.23	0.77
Phenol, 2,4-bis(1,1-dimethylethyl)-	ME171163	1.22	0.75
Thiocyanic acid, 2-propenyl ester	ME171156	1.18	0.84
2-Propanol, 2-methyl-	ME171159	1.22	0.81
Propylamine	ME171165	1.22	0.81
2-Pentanone	ME171158	1.41	0.59
Cyclopropane, isothiocyanato-	ME171179	1.58	0.77
Phenol	ME171164	1.45	0.75
Benzaldehyde	ME171148	1.58	0.42
Propofol	ME171189	1.22	0.34
Cyclohexanone	ME171178	0.07	1.19
Benzaldehyde, 2,5-dimethyl-	ME171184	NA	1.00
2-Propenoic acid, 2-methyl-, 1,2-ethanediyl ester	ME171181	NA	1.00
1-Octanol	ME171185	NA	1.00
2-Cyclohexen-1-one, 3,5,5-trimethyl-	ME171187	NA	1.00
2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (S)-	ME171173	0.57	1.51
Benzaldehyde, 3,5-dimethyl-	ME171168	0.49	1.51
1-Hexanol, 2-ethyl-	ME171172	0.30	1.94
2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-	ME171180	0.20	2.00

Factors:

F1	Treatment:control
F2	Treatment:IC

Data matrix