Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002976)

Reversed phase POSITIVE ION MODE (Analysis AN004886)

Metabolite	Structure	F1	F2	F3	F4
Cortexolone	ME768705	2.61	0.48	0.62	0.39
Urocanic acid	ME768854	2.42	0.14	1.28	0.44
2^-Deoxyguanosine 5^-monophosphate	ME768656	0.46	0.36	0.74	2.13
N-Acetyllactosamine	ME768784	0.23	0.39	1.52	0.29
N-Methyl-D-aspartic acid	ME768788	0.49	0.86	2.38	0.41
Adenine	ME768686	0.38	0.83	2.58	0.37
Adenosine	ME768687	0.36	0.86	2.60	0.34
Deoxyadenosine	ME768717	0.42	0.52	2.09	0.32
Adenylsuccinic acid	ME768689	0.52	0.50	2.32	0.61
Atenolol	ME768699	0.70	0.34	2.39	0.67
Adenosine monophosphate	ME768688	0.40	0.51	2.02	1.09
Phenylacetylglycine	ME768808	0.85	0.84	1.68	0.71
Salbutamol	ME768825	0.74	1.04	1.64	0.70
3-Methylindole	ME768667	0.94	0.52	1.95	0.70
Aminoadipic acid	ME768693	0.74	0.58	2.14	0.67
2-Pyrrolidinone	ME768664	0.96	0.57	1.62	0.95
L(-)-Nicotine pestanal	ME768754	0.76	0.65	1.83	0.86
Uracil	ME768848	1.17	1.72	0.63	0.47
Uridine 5^-monophosphate	ME768853	1.46	1.46	0.79	0.30
PC(16:0/16:0)	ME768802	0.61	0.84	1.24	1.31
Thiamine	ME768837	0.76	0.59	1.42	1.26
L-Leucine	ME768764	1.40	1.11	0.74	0.80
L-Glutamic acid	ME768761	1.26	1.21	0.83	0.71
o-Tyrosine	ME768798	1.33	1.17	0.90	0.64
Creatine	ME768707	1.36	1.23	0.56	1.02
Isovalerylglycine	ME768753	1.17	1.24	0.64	0.86
N-Acetylglutamic acid	ME768783	1.22	1.28	0.72	0.91
Cis-Aconitic acid	ME768704	0.85	1.33	0.94	0.66
Epicatechin	ME768726	1.09	1.31	0.80	0.62
Maltitol	ME768773	1.09	1.40	0.81	0.68
Digoxin	ME768723	0.99	1.29	0.88	0.77
Metoprolol	ME768779	0.95	1.25	0.95	0.84
Sulfolithocholic acid	ME768834	1.03	1.28	0.96	0.85
5-Methoxytryptophan	ME768676	1.09	1.18	1.10	0.75
11a-Hydroxyprogesterone	ME768654	1.06	1.19	0.96	0.74
Galactitol	ME768730	1.12	1.21	0.90	0.65
Sphinganine	ME768829	0.82	1.55	0.74	0.76
1-Methyladenosine	ME768653	0.97	1.26	0.68	0.94
Daidzein	ME768715	0.99	1.27	0.65	0.97
Glucaric acid	ME768731	1.03	1.30	0.75	0.87
Putrescine	ME768815	0.87	1.35	0.77	0.89
L-Carnitine	ME768759	0.95	1.31	0.76	0.94
Pyridoxine	ME768817	0.93	1.27	0.79	0.91
Glucosamine	ME768732	0.86	1.33	0.58	1.11
Traumatic acid	ME768842	0.71	1.41	0.68	1.14
Histamine	ME768740	1.19	0.94	1.25	0.64
6-(Methylamino) purine	ME768679	1.09	0.97	1.17	0.72
Uridine	ME768852	1.20	0.89	1.15	0.81
Homocitrulline	ME768741	1.10	0.97	1.09	0.86
Indole-3-carbinol	ME768747	1.14	0.99	1.10	0.80
Triamterene	ME768843	1.03	0.70	1.25	0.76
5-Hydroxytryptophol	ME768675	1.06	0.84	1.36	0.71
Thymol	ME768839	1.09	0.86	1.32	0.79
4-Guanidinobutanoic acid	ME768672	1.10	0.81	1.33	0.89
Glycerophosphocholine	ME768734	1.15	0.78	1.22	0.91
Leucinic acid	ME768771	1.09	0.88	1.21	0.92
Sphingosine	ME768830	1.13	0.88	1.08	0.95
Guanosine 5^-diphosphate	ME768737	1.05	0.77	1.17	1.00
Succinic acid semialdehyde	ME768832	1.05	0.76	1.12	1.02
Estriol	ME768727	0.76	1.18	0.94	1.10
PC(18:1(9Z)/18:1(9Z))	ME768803	0.79	1.19	1.00	0.99
ADP	ME768690	0.86	1.09	0.96	1.07
L-Norleucine	ME768767	0.94	1.14	0.89	1.01
Tolnaftate	ME768841	0.86	1.03	1.11	0.96
Saccharopine	ME768824	1.04	0.95	1.10	0.93
L-Proline	ME768769	1.01	0.92	1.14	0.95
p-Octopamine	ME768800	1.02	0.94	1.12	0.94
N,N-Dimethylformamide	ME768780	0.90	1.01	1.20	0.87
Pantothenic acid	ME768801	0.96	0.96	1.20	0.92
Naringenin	ME768793	0.98	1.00	1.15	0.89
2-Methyl-3-ketovaleric acid	ME768662	0.93	1.02	1.15	0.93
Pipecolic acid	ME768811	0.96	0.98	1.12	0.95
Xanthurenic acid	ME768856	0.99	0.94	0.99	1.15
2-Ethyl-2-hydroxybutyric acid	ME768660	1.06	0.89	1.02	1.05
17-Hydroxyprogesterone	ME768655	1.02	0.89	1.04	1.05
Ethanolamine	ME768728	1.00	0.89	1.04	1.08
Ibuprofen	ME768745	0.98	0.90	1.06	1.07
Elaidic acid	ME768725	0.99	0.93	1.09	1.01
Tyramine	ME768847	0.96	0.93	1.07	1.04
3b-Hydroxy-5-cholenoic acid	ME768671	0.98	0.95	1.06	1.02
Medroxyprogesterone	ME768774	0.97	0.95	1.06	1.02
Androstenedione	ME768694	0.97	0.95	1.00	1.07
Oleic acid	ME768799	0.97	0.97	1.02	1.02
Isopropyl alcohol	ME768751	1.01	1.01	0.90	1.06
Nutriacholic acid	ME768796	0.98	1.03	0.94	1.03
Hydroxyoctanoic acid	ME768743	0.97	1.05	0.98	0.99
Perillic acid	ME768804	0.98	1.03	1.00	0.98
Deoxyadenosine monophosphate	ME768718	0.97	1.02	1.00	1.01
3-Phenylbutyric acid	ME768669	0.99	1.01	1.00	1.00
Androsterone	ME768695	0.99	1.01	1.00	1.01
Pyruvaldehyde	ME768821	1.00	1.02	0.98	1.00
Diacetyl	ME768722	1.00	1.01	0.99	1.00
Pregnenolone	ME768812	1.01	1.00	0.99	1.00
Acetone	ME768684	1.06	0.93	1.01	1.01
Isovalerylcarnitine	ME768752	1.04	0.96	1.00	1.01
N-Acetylserotonin	ME768786	1.04	0.99	0.95	1.02
Sebacic acid	ME768826	1.05	0.99	0.98	0.99
N-Acetyl-L-alanine	ME768781	1.06	1.08	0.88	0.96
O-Phosphoethanolamine	ME768797	1.10	1.08	0.91	0.92
Taurodeoxycholic acid	ME768835	1.09	1.09	0.95	0.90
2,2-Dimethylsuccinic acid	ME768657	1.02	1.14	0.93	0.91
DGTP	ME768721	1.04	1.09	0.96	0.91
7-Methylxanthine	ME768681	0.96	1.10	0.97	0.95
All-trans-retinoic acid	ME768691	0.92	1.12	0.99	0.96
Phenylpropanolamine	ME768809	0.96	1.12	1.02	0.90
Acetoin	ME768683	0.99	1.13	0.98	0.89
L-Fucose	ME768760	0.99	1.15	0.97	0.86
DCMP	ME768716	1.04	1.04	1.13	0.82
5-Methoxytryptophol	ME768677	1.05	1.10	1.06	0.80
Pregnenolone sulfate	ME768813	1.02	1.08	1.06	0.87
2,3-Diaminopropionic acid	ME768659	1.09	1.05	1.02	0.85
Stearic acid	ME768831	1.10	1.10	0.99	0.87
Isocaproic acid	ME768750	1.02	1.04	1.01	0.94
2-Phenylbutyric acid	ME768663	1.04	1.03	1.00	0.95
Methylsuccinic acid	ME768778	1.04	1.03	1.00	0.93
2,3-Butanediol	ME768658	1.08	1.02	1.00	0.91
L-Aspartic acid	ME768757	1.04	1.00	1.03	0.90
Phosphoric acid	ME768810	1.05	1.02	1.05	0.90
N6-Acetyl-L-lysine	ME768791	1.13	0.99	1.02	0.89
8,11,14-Eicosatrienoic acid	ME768682	1.08	0.96	1.03	0.95
Phenylacetic acid	ME768807	1.10	0.98	1.03	0.93
3-Methylhistamine	ME768666	0.90	0.97	1.46	0.71
N-Acetyl-L-phenylalanine	ME768782	0.81	0.94	1.44	0.80
Testosterone	ME768836	0.97	1.06	1.21	0.79
Melatonin	ME768775	0.79	1.08	1.29	0.83
Tryptophanol	ME768846	0.88	1.03	1.31	0.83
5^-Methylthioadenosine	ME768673	0.84	0.80	1.37	1.03
3a,6b,7b-Trihydroxy-5b-cholanoic acid	ME768670	0.84	0.93	1.36	0.97
Acrylamide	ME768685	0.82	0.94	1.39	0.92
Flavin mononucleotide	ME768729	0.70	0.72	1.36	0.91
Alpha-hydroxyhippuric acid	ME768692	0.69	0.87	1.45	0.95
Triethylamine	ME768844	0.59	0.85	1.48	1.05
Creatinine	ME768708	0.93	0.65	1.21	1.03
Succinylacetone	ME768833	0.95	0.68	1.42	0.99
Guanosine monophosphate	ME768738	0.73	0.96	1.14	1.16
Pyroglutamic acid	ME768819	0.83	0.89	1.16	1.06
N-Methylnicotinamide	ME768789	0.88	0.92	1.19	1.03
Tiglylglycine	ME768840	0.89	0.91	1.18	1.04
Aniline	ME768696	0.96	0.81	1.18	1.06
Methylmalonic acid	ME768777	0.88	0.82	1.23	1.12
N-Acetylneuraminic acid	ME768785	0.87	0.82	1.20	1.12
Phenylacetaldehyde	ME768806	0.90	0.79	0.95	1.33
Phenol	ME768805	1.02	0.77	1.01	1.20
Pyrrolidonecarboxylic acid	ME768820	1.02	0.79	0.90	1.28
Butanone	ME768703	0.73	0.89	0.95	1.38
DL-2-aminooctanoic acid	ME768724	0.88	0.87	0.81	1.37
Sorbitol	ME768827	1.28	0.66	0.81	1.09
Benzaldehyde	ME768700	1.17	0.80	0.89	1.15
L-Valine	ME768770	1.23	0.87	0.75	1.15
Beta-Alanine	ME768702	1.36	0.91	0.70	1.04
Indole	ME768746	1.35	0.91	0.75	0.97
Cortisol	ME768706	1.36	0.91	0.81	0.91
L-Phenylalanine	ME768768	1.40	0.91	0.79	0.93
NADPH	ME768792	1.32	0.84	0.95	1.07
L-Aspartyl-L-phenylalanine	ME768758	1.36	0.73	1.01	0.96
N-Methyl-a-aminoisobutyric acid	ME768787	1.39	0.79	0.94	0.97
L-Kynurenine	ME768763	1.16	1.08	0.85	0.86
m-Coumaric acid	ME768772	1.23	0.98	0.93	0.86
Benzoic acid	ME768701	1.19	1.01	0.80	1.03
Urea	ME768849	1.22	0.96	0.77	1.05
Deoxycytidine	ME768719	1.24	1.03	0.79	0.94
Glycocholic acid	ME768735	1.17	1.03	0.79	0.95
Methylglutaric acid	ME768776	1.02	1.11	0.75	1.09
Hypoxanthine	ME768744	1.07	1.07	0.82	1.03
Inosine	ME768749	1.08	1.07	0.78	1.04
Asymmetric dimethylarginine	ME768698	1.15	1.10	0.74	0.99
Quinic acid	ME768822	1.08	1.14	0.79	0.91
L-Methionine	ME768766	1.23	1.05	0.53	1.12
Hydrocinnamic acid	ME768742	1.14	1.04	0.62	1.10
L-Isoleucine	ME768762	1.16	1.00	0.62	1.17
5-Aminolevulinic acid	ME768674	1.04	1.12	0.65	1.14
Pyrocatechol	ME768818	0.99	1.14	0.59	1.03
Thymine	ME768838	0.96	1.15	0.61	1.08
Xanthine	ME768855	0.89	1.04	0.82	1.20
Riboflavin	ME768823	0.97	1.04	0.64	1.29
Normetanephrine	ME768795	1.04	0.94	0.71	1.11
Cytidine	ME768710	1.05	1.05	0.79	1.15
Trimethylamine	ME768845	1.05	0.96	0.75	1.21
5-Phenylvaleric acid	ME768678	1.05	1.01	0.75	1.16
3-Hexenedioic acid	ME768665	1.07	1.01	0.70	1.18
L-Acetylcarnitine	ME768755	1.04	1.03	0.71	1.18
3-Nitrotyrosine	ME768668	1.15	1.45	0.28	0.46
Spermine	ME768828	1.10	1.58	0.05	0.81
Hippuric acid	ME768739	0.94	1.16	NA	0.80
N1-Acetylspermine	ME768790	1.01	0.98	NA	1.02
Ureidopropionic acid	ME768850	1.16	1.01	NA	0.83
Cytidine monophosphate	ME768711	0.81	1.33	0.18	1.19
Cytosine	ME768712	0.95	1.51	0.06	1.25
L-Malic acid	ME768765	1.20	1.43	0.37	0.93
2-Hydroxyadenine	ME768661	1.22	1.44	0.23	1.01
Guanosine	ME768736	1.29	1.43	0.25	0.95
Pterin	ME768814	1.10	1.32	0.47	1.04
1,3,7-Trimethyluric acid	ME768652	1.06	1.24	0.37	0.91
Deoxyinosine	ME768720	0.92	1.16	0.42	0.99
Cyclic AMP	ME768709	1.08	0.99	0.22	1.40
Uric acid	ME768851	0.83	0.92	0.47	1.46
D-Serine	ME768714	1.43	0.68	0.35	1.38
Glutathione	ME768733	1.30	1.03	0.38	1.24
Pyridine	ME768816	1.21	0.97	0.46	1.31
Indoleacrylic acid	ME768748	1.28	0.75	0.57	1.27
L-Alanine	ME768756	1.35	0.89	0.52	1.07
D-Arginine	ME768713	1.62	0.75	0.88	0.78
Aspartame	ME768697	1.66	0.92	0.57	0.87
7-Methylguanine	ME768680	1.77	0.86	0.31	0.88
Niacinamide	ME768794	1.72	1.01	0.37	0.97

Factors:

F1	Treatment:5-fluorouracil
F2	Treatment:Doxorubicin
F3	Treatment:Doxorubicin + 5-fluorouracil
F4	Treatment:Positive Control

Data matrix