Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000420)

(Analysis AN000662)

Metabolite	Structure	F1	F2
mannose	ME137751	1.86	0.14
glucose 2	ME137750	1.45	0.55
2-hydroxyhippuric acid	ME137781	1.50	0.50
pentadecanoic acid	ME137726	1.55	0.45
myo-inositol	ME137749	1.69	0.31
glycine	ME137665	1.59	0.41
salicylic acid	ME137694	1.62	0.38
caprylic acid	ME137690	1.18	0.82
glucose	ME137686	1.24	0.76
gluconic acid	ME137769	1.28	0.72
pantothenic acid	ME137733	1.28	0.72
hexose pertms nist	ME137668	1.26	0.74
lysine	ME137698	1.26	0.74
enolpyruvate nist	ME137756	0.85	1.15
glycerol	ME137667	0.85	1.15
n-methylalanine	ME137723	0.86	1.14
glutaric acid	ME137757	0.86	1.14
hexanedioic acid, bis(2-ethylhexyl) ester nist (likely)	ME137748	0.86	1.14
methylmaleic acid	ME137740	0.82	1.18
tyrosine	ME137707	0.82	1.18
3,4-dihydroxycinnamic acid	ME137758	0.84	1.16
behenic acid	ME137728	0.84	1.16
ribitol	ME137704	0.83	1.17
benzoic acid	ME137671	0.83	1.17
possible sucrose	ME137755	0.83	1.17
maleimide	ME137711	0.88	1.12
methyltetrahydrophenanthrenone2 nist	ME137679	0.88	1.12
arachidiic acid	ME137678	0.89	1.11
valine	ME137689	0.89	1.11
lactobionic acid 1	ME137754	0.90	1.10
epsilon-caprolactam (likely)	ME137753	0.90	1.10
fumaric acid	ME137739	0.90	1.10
oleic acid	ME137674	0.91	1.09
proline	ME137714	0.92	1.08
uracil	ME137737	0.92	1.08
stearic acid	ME137663	0.95	1.05
heptadecanoic acid	ME137681	0.93	1.07
isoleucine	ME137717	0.94	1.06
pelargonic acid	ME137676	0.94	1.06
n-acetyl-d-hexosamine 2	ME137732	0.97	1.03
1-monopalmitin	ME137712	0.96	1.04
z polysiloxane	ME137768	0.96	1.04
uric acid	ME137701	1.01	0.99
z dioctylphtalate	ME137664	0.98	1.02
palmitic acid	ME137765	0.98	1.02
phenylacetic acid	ME137734	0.98	1.02
isothreonic acid 4	ME137682	1.00	1.00
valine 1tms	ME137741	0.99	1.01
citric acid	ME137673	0.99	1.01
octadecanol	ME137706	0.99	1.01
2-hydroxybutanoic acid	ME137677	1.06	0.94
serine	ME137702	1.05	0.95
3-hydroxyphenylacetic acid	ME137783	1.05	0.95
phosphate	ME137662	1.05	0.95
cyclohexylamine 1tms	ME137691	1.12	0.88
pipecolinic acid	ME137773	1.12	0.88
cystine	ME137718	1.09	0.91
glyceric acid	ME137708	1.10	0.90
capric acid	ME137692	0.11	1.89
leucine	ME137713	0.25	1.75
udp-glucuronic acid	ME137776	0.26	1.74
5-aminovaleric acid lactame	ME137785	0.27	1.73
glucose-6-phosphate minor	ME137705	0.27	1.73
aminomalonic acid	ME137722	0.20	1.80
arabitol	ME137772	0.22	1.78
aspartate minor	ME137699	0.23	1.77
trans-4-hydroxy-L-proline minor1	ME137721	0.24	1.76
2-deoxytetronic acid nist	ME137745	0.75	1.25
hydroxylamine	ME137685	0.74	1.26
alanine	ME137735	0.74	1.26
hippuric acid 2tms	ME137763	0.74	1.26
malonic acid	ME137743	0.72	1.28
methionine (likely)	ME137766	0.73	1.27
glutamine 3TMS major	ME137719	0.73	1.27
histidine 2	ME137716	0.73	1.27
2-deoxyerythritol	ME137760	0.80	1.20
sorbitol	ME137720	0.79	1.21
tryptophan	ME137715	0.77	1.23
3-hydroxybenzoic acid (likely)	ME137761	0.77	1.23
catechol (likely)	ME137747	0.77	1.23
fructose 2	ME137709	0.76	1.24
phthalate ester	ME137672	0.76	1.24
phenylalanine	ME137775	0.68	1.32
threonine	ME137703	0.69	1.31
glycolic acid	ME137727	0.66	1.34
lactic acid	ME137687	0.67	1.33
myristic acid	ME137675	0.67	1.33
2-hydroxypyridine	ME137669	0.64	1.36
citraconic acid major TMS2	ME137764	0.64	1.36
asparagine minor	ME137742	0.65	1.35
serine minor	ME137696	0.65	1.35
fructose	ME137710	0.61	1.39
4-hydroxybenzoic acid	ME137786	0.61	1.39
asparagine dehydrated	ME137736	0.61	1.39
azelaic acid	ME137752	0.62	1.38
5-hydroxy-3-indoleacetic acid	ME137780	0.63	1.37
phthalic acid	ME137680	0.63	1.37
N-acetyl-L-aspartic acid 1	ME137695	0.52	1.48
4-hydroxypyridine	ME137724	0.50	1.50
cyanoalanine	ME137767	0.50	1.50
glucose-6-phosphate major	ME137697	0.51	1.49
N-acetyl-L-aspartic acid TMS3	ME137759	0.51	1.49
pseudo-uridine	ME137725	0.49	1.51
z mstfa artifact	ME137666	0.49	1.51
itaconic acid	ME137746	0.48	1.52
2-hydroxyglutaric acid	ME137738	0.47	1.53
3-(3-hydroxyphenyl)propionic acid	ME137777	0.47	1.53
4-hydroxybutyric acid	ME137744	0.59	1.41
levoglucosan	ME137787	0.58	1.42
chlorogenic acid major	ME137700	0.56	1.44
isothreonic acid 2	ME137729	0.57	1.43
succinic acid	ME137731	0.55	1.45
4-hydroxy-3-methoxybenzoic acid	ME137778	0.55	1.45
ribitol (likely)	ME137774	0.55	1.45
xylose 2	ME137730	0.54	1.46
phenol	ME137688	0.54	1.46
threose	ME137762	0.54	1.46
arabinose	ME137684	0.40	1.60
alpha-ketoglutarate	ME137683	0.41	1.59
butane-2,3-diol nist	ME137784	0.41	1.59
glutamine dehydrated	ME137770	0.43	1.57
oxoproline	ME137670	0.43	1.57
5-hydroxymethyl-2-furoic acid nist	ME137782	0.45	1.55
vanilylmandelic acid	ME137779	0.44	1.56
putrescine	ME137771	0.33	1.67
shikimic acid	ME137693	0.37	1.63

Factors:

F1	Group:nonsmoker
F2	Group:smoker

Data matrix