Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for GC/MS and LC/MS metabolomics profiling for breast cancer plasma data and control plasma data (Study ST000355)

Reversed phase (Analysis AN000581)

Metabolite	Structure	F1	F2	F3	F4	F5
Pentosidine	ME121679	0.31	0.07	0.26	0.07	2.17
Phenyllactic acid	ME121749	0.14	0.10	0.26	0.10	2.49
3-Indolepropionic acid	ME121700	0.83	1.29	1.93	0.62	0.39
3-Pyridylacetic acid	ME121757	2.14	0.85	0.77	0.93	0.98
6-Dehydrotestosterone glucuronide	ME121719	2.34	0.92	0.76	0.76	0.91
Glycerophosphocholine	ME121677	0.66	0.65	0.53	0.69	1.70
Homoanserine	ME121705	0.91	1.64	0.59	0.56	1.01
Undecanoic acid	ME121723	0.82	0.62	0.62	1.53	1.36
Epinephrine	ME121770	1.06	0.71	1.11	1.82	0.86
Glycylprolylhydroxyproline	ME121703	0.75	0.93	1.04	1.54	0.91
3-Succinoylpyridine	ME121732	1.35	0.96	1.52	0.75	0.69
Bilirubin	ME121688	1.59	1.00	0.94	1.49	0.74
Hydroxyacetic acid	ME121747	1.39	1.07	1.20	0.91	0.76
Glutamine	ME121752	1.30	1.10	1.20	1.11	0.70
Lysine	ME121743	1.37	1.09	1.14	1.14	0.72
Decanoylcarnitine	ME121727	1.52	1.16	1.01	1.09	0.74
Dodecanoylcarnitine	ME121741	1.28	1.10	0.91	1.06	0.90
Octanoylcarnitine	ME121736	1.37	1.05	1.05	1.03	0.84
4,8 dimethylnonanoyl carnitine	ME121690	1.31	1.10	1.00	1.04	0.85
Progesterone	ME121706	1.38	1.11	0.98	1.08	0.83
Androstenedione	ME121702	1.36	0.88	0.87	1.50	0.92
Thiamine	ME121716	1.24	0.90	1.08	1.41	0.83
Linoleyl carnitine	ME121718	1.19	1.07	0.86	1.54	0.83
Bisnorcholic acid	ME121695	1.10	1.06	0.98	1.45	0.82
Sphingosine 1-phosphate	ME121693	1.12	1.06	0.97	1.46	0.81
18-Hydroxycorticosterone	ME121715	0.95	0.98	0.99	1.37	0.92
Propionylcarnitine	ME121681	0.96	1.05	1.13	1.25	0.82
Stearoylcarnitine	ME121726	1.28	1.09	0.90	1.20	0.87
trans-Hexadec-2-enoyl carnitine	ME121717	1.33	1.02	0.86	1.16	0.95
Hexanoylcarnitine	ME121735	1.32	1.00	1.03	1.20	0.84
oleoylcarnitine	ME121731	1.22	1.07	0.90	1.34	0.86
Tetradecanoylcarnitine	ME121740	1.20	1.03	0.96	1.21	0.90
Trimethylamine N-oxide	ME121766	1.21	0.99	0.98	1.26	0.89
Norleucine	ME121772	1.16	0.89	0.99	1.20	0.97
Calcidiol	ME121737	1.04	1.05	0.95	1.22	0.93
Arginine	ME121768	1.05	1.05	1.02	1.14	0.90
Glycolaldehyde	ME121720	1.11	1.04	0.98	1.14	0.92
Tetracosahexaenoic acid	ME121734	1.12	1.04	1.00	1.19	0.89
Hexanoylglycine	ME121701	0.91	1.12	0.76	1.16	1.05
Tiglylglycine	ME121713	0.80	1.09	0.70	1.23	1.10
Hypoxanthine	ME121756	0.76	0.75	0.88	1.15	1.25
N-acetyl-glutamine	ME121745	0.87	0.90	0.81	1.09	1.19
Nicotinuric acid	ME121680	0.78	0.86	0.85	0.97	1.25
Quinic acid	ME121678	1.12	0.83	0.93	1.04	1.11
Choline	ME121755	1.05	0.91	0.80	1.11	1.14
Delta-hydroxylysine	ME121754	1.05	0.90	0.79	1.12	1.14
Carnitine	ME121775	0.85	0.95	0.95	0.87	1.14
Acetylcarnitine	ME121767	0.86	0.89	0.93	0.88	1.19
Epinephrine glucuronide	ME121686	0.85	0.92	0.92	0.91	1.16
5-Acetylamino-6-formylamino-3-methyluracil	ME121725	0.99	0.89	0.98	0.82	1.14
Aminoacetone	ME121682	1.01	0.94	0.89	0.88	1.14
Carnosine	ME121751	1.07	1.05	1.10	0.95	0.90
Dehydroascorbic acid	ME121692	1.15	0.99	1.07	1.01	0.93
Uracil	ME121753	1.18	0.99	1.08	1.02	0.90
4-Aminohippuric acid	ME121739	1.24	0.93	1.05	0.94	0.97
Glycerylphosphorylethanolamine	ME121712	1.25	0.95	1.10	0.98	0.91
5-Phosphoribosylamine	ME121709	1.19	0.89	1.00	0.91	1.05
Oxaloacetate	ME121744	1.10	0.94	0.97	0.93	1.05
4-Hydroxy-2-oxoglutaric acid	ME121683	1.10	0.97	0.96	0.87	1.06
6-Phosphogluconic acid	ME121746	1.15	0.98	0.96	0.86	1.05
beta-D-Glucopyranuronic acid	ME121707	0.92	0.97	0.93	1.06	1.06
Guanine	ME121714	0.88	1.05	1.00	0.99	1.00
Indoleacrylic acid	ME121721	0.97	1.06	1.01	0.96	0.97
Benzaldehyde	ME121708	0.93	1.04	1.04	0.93	0.99
Benzocaine	ME121694	0.91	1.05	1.03	0.92	0.99
2,3-Diaminopropionic acid	ME121771	0.93	1.06	1.02	1.07	0.94
Methylguanidine	ME121763	0.94	1.07	1.03	1.06	0.94
Homocysteic acid	ME121685	0.98	1.00	1.01	1.05	0.98
2-Hydroxycinnamic acid	ME121738	0.93	1.01	0.99	1.07	0.99
o-Tyrosine	ME121742	0.94	1.02	0.99	1.07	0.99
cis-2-Methylaconitate	ME121729	1.01	0.98	1.00	0.94	1.03
L-phenylalanyl-L-proline	ME121698	0.95	0.99	0.97	0.95	1.05
5-Hydroxylysine	ME121687	1.00	1.03	1.03	1.00	0.96
Valine	ME121765	1.03	0.99	1.04	1.01	0.97
Isopentenyl pyrophosphate	ME121730	1.04	0.99	0.97	1.02	1.01
1-Pyrroline-2-carboxylic acid	ME121722	1.04	0.98	0.99	1.02	1.00
Methionine	ME121758	1.03	0.99	0.99	1.02	1.00
Dihydroxyacetone phosphate	ME121733	1.02	1.00	1.00	1.01	0.99
Phosphoserine	ME121762	1.03	1.00	0.99	0.99	1.00
Sphingosine	ME121710	0.98	1.03	0.96	1.00	1.01
4-hydroxy-proline	ME121759	1.00	1.00	0.99	1.00	1.01
Citrulline	ME121773	0.99	1.00	1.00	1.01	1.00
Deoxycholic acid	ME121774	1.01	0.99	0.97	1.01	1.02
Glyceraldehyde 3-phosphate	ME121764	0.98	1.00	0.96	1.01	1.03
Hordenine	ME121711	1.09	0.97	1.00	0.96	1.01
Guanidineacetic acid	ME121769	1.07	1.01	0.99	0.99	0.98
5-Hydroxyindoleacetic acid	ME121699	1.05	1.00	0.99	0.97	1.01
Phenylglyoxylic acid	ME121704	1.05	1.02	0.99	0.96	0.99
3-Hydroxydodecanedioic acid	ME121696	1.25	1.10	0.65	0.86	1.13
N6-Acetyl-L-lysine	ME121750	1.29	1.08	0.79	0.96	1.01
5-Methoxytryptophol	ME121728	1.04	1.15	0.80	0.88	1.05
Isovalerylcarnitine	ME121689	1.00	1.05	0.84	0.71	1.15
Linoelaidic acid	ME121724	0.44	1.06	1.40	0.56	0.98
Glucose 6-phosphate	ME121748	0.73	1.13	1.34	0.65	0.88
Palmitoylcarnitine	ME121760	0.74	1.03	1.48	0.83	0.81
Butyrylcarnitine	ME121684	1.03	1.05	1.38	1.23	0.67
Succinyladenosine	ME121691	0.86	1.12	1.15	0.93	0.88
Cystathionine	ME121761	0.90	1.28	1.25	0.91	0.71
Proline betaine	ME121697	0.98	1.32	1.25	0.82	0.69

Factors:

F1	Diagnosis:Breast cancer \| Stage:1
F2	Diagnosis:Breast cancer \| Stage:2
F3	Diagnosis:Breast cancer \| Stage:3
F4	Diagnosis:Breast cancer \| Stage:4
F5	Diagnosis:Control \| Stage:-

Data matrix