Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Tobacco-specific carcinogens in Bladder Cancer (Study ST000614)

HILIC POSITIVE ION MODE (Analysis AN000939)

Metabolite	Structure	F1	F2	F3	F4	F5
Cystathionine	ME172311	NA	1.61	0.67	0.80	NA
Methyl Nicotinamide	ME172280	NA	0.73	1.02	1.22	NA
1-Methyl-Histidine	ME172293	NA	0.67	1.15	1.14	NA
Putrescine	ME172253	NA	0.72	1.14	1.10	NA
Deoxy carnitine	ME172282	NA	0.72	0.81	1.44	NA
Kynurenic acid	ME172305	NA	0.81	0.83	1.34	NA
Kynurenine	ME172310	NA	0.91	0.77	1.31	NA
N-carbamoyl-L-aspartate	ME172297	NA	0.85	1.17	0.96	NA
N-acetyl-glutamine	ME172302	NA	0.83	1.15	1.00	NA
N-Acetyl Lysine	ME172303	NA	0.85	1.13	1.00	NA
Dimethyl Arginine	ME172306	NA	0.87	1.22	0.88	NA
Nicotinamide ribotide	ME172321	NA	0.87	1.23	0.88	NA
Histidine	ME172287	NA	0.86	1.32	0.80	NA
Arginine	ME172295	NA	0.93	1.29	0.76	NA
N-Acetylornithine	ME172294	NA	0.93	1.29	0.76	NA
citrulline	ME172296	NA	0.92	1.24	0.82	NA
Spermine	ME172307	NA	0.89	1.27	0.82	NA
2-Hydroxypyridine	ME172255	NA	0.99	0.97	1.04	NA
L-Tryptophan	ME172250	NA	0.99	0.97	1.04	NA
L-Zeatine	ME172249	NA	1.03	0.96	1.01	NA
AMP	ME172323	NA	1.02	0.94	1.04	NA
dGMP	ME172322	NA	1.03	0.93	1.05	NA
2-Aminooctanoic acid	ME172288	NA	0.93	0.98	1.08	NA
Creatinine	ME172263	NA	0.91	0.94	1.14	NA
3-phospho-serine	ME172301	NA	1.11	0.98	0.92	NA
2-Methyl glutamic acid	ME172289	NA	1.09	0.96	0.96	NA
Glucosamine/Galactosamine	ME172298	NA	1.08	0.97	0.97	NA
Phospho Choline	ME172300	NA	1.14	0.93	0.95	NA
2-Aminobutyraldehyde	ME172252	NA	1.11	0.92	0.99	NA
Myristoleic acid	ME172312	NA	1.12	0.89	1.01	NA
4 Hydroxybutyric acid	ME172257	NA	0.97	1.11	0.91	NA
Acetylcholine	ME172281	NA	0.95	1.14	0.90	NA
Aminobutyric acid	ME172256	NA	0.99	1.07	0.94	NA
Glutamic acid	ME172286	NA	1.03	1.07	0.90	NA
Glutamine	ME172284	NA	1.02	1.06	0.92	NA
Lysine	ME172285	NA	1.03	1.04	0.93	NA
Choline	ME172258	NA	1.03	1.05	0.93	NA
5-oxo-proline	ME172270	NA	1.02	1.05	0.93	NA
DL-Pipecolic acid	ME172271	NA	1.02	1.05	0.93	NA
Acetyl Carnitine	ME172308	NA	0.99	1.03	0.98	NA
Carnitine	ME172290	NA	1.05	1.01	0.95	NA
Methylglutaric acid	ME172283	NA	1.03	0.99	0.98	NA
Phenyl alanine	ME172292	NA	1.23	0.85	0.96	NA
Gly-Gly	ME172276	NA	1.23	0.94	0.86	NA
Isoleucine	ME172274	NA	1.21	0.96	0.86	NA
Cystine	ME172314	NA	1.26	0.90	0.87	NA
Tryptophan	ME172309	NA	1.28	0.87	0.89	NA
Isovaleryl Carnitine	ME172315	NA	1.24	1.04	0.74	NA
Adenine	ME172279	NA	1.08	1.12	0.81	NA
Uracil	ME172262	NA	1.07	1.14	0.79	NA
Allo-Threonine	ME172267	NA	1.17	1.02	0.83	NA
Homoserine	ME172268	NA	1.17	1.02	0.83	NA
Asparagine	ME172277	NA	1.12	1.06	0.84	NA
Nicotinamide	ME172269	NA	1.12	1.03	0.87	NA
Guanosine	ME172316	NA	1.12	0.56	1.35	NA
Cytidine 5 -Monophosphate (5-CMP)	ME172319	NA	1.11	0.80	1.10	NA
GMP	ME172324	NA	1.12	0.82	1.09	NA
Octonyl Carnitine	ME172317	NA	1.01	0.82	1.17	NA
UMP	ME172320	NA	1.02	0.78	1.20	NA
Ethylmalonate/Methyl Malonate	ME172275	NA	1.22	0.74	1.07	NA
N-acetylalanine	ME172273	NA	1.23	0.69	1.12	NA
N-Acetylputrescine	ME172272	NA	1.23	0.79	1.02	NA
Gly-Leu	ME172304	NA	1.28	0.72	1.04	NA
Homocysteine	ME172278	NA	1.28	0.75	1.01	NA
Phe-Glu	ME172318	NA	1.40	0.75	0.90	NA
4-Coumarate	ME172291	NA	1.36	0.70	0.99	NA
Tyrosine	ME172299	NA	1.35	0.70	1.00	NA
uorene	ME172264	NA	1.89	1.01	0.20	NA
Methyl succinic acid	ME172251	NA	1.59	1.42	0.05	NA
SAH	ME172325	NA	1.40	1.38	0.26	NA
Methyl Histidine	ME172254	NA	1.52	1.31	0.23	NA
Methyl malonic acid	ME172259	NA	1.52	1.30	0.24	NA
Methyl Adenosine	ME172266	NA	1.63	1.20	0.24	NA
Pyrene	ME172265	NA	1.61	1.27	0.19	NA
6-methyl 2-thiouracil	ME172260	NA	0.99	1.87	0.12	NA
Cytosine	ME172261	NA	0.86	1.55	0.56	NA
Ergothioneine	ME172313	NA	1.02	1.47	0.49	NA

Factors:

F1	Diagonsis:Benign \| Smoking Status:Smoker
F2	Diagonsis:Cancer \| Smoking Status:Current Smoker
F3	Diagonsis:Cancer \| Smoking Status:Former Smoker
F4	Diagonsis:Cancer \| Smoking Status:Non-Smoker
F5	Diagonsis:Normal \| Smoking Status:Smoker

Data matrix