Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002039)

Reversed phase NEGATIVE ION MODE (Analysis AN003318)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
Phosphocreatine	ME472720	0.78	0.54	0.49	1.36	1.67	1.06	0.63	0.88	0.68	0.65	1.69	1.83
Stearidonic acid ((6Z,9Z,12Z,15Z)-Octadecatetraenoic acid)	ME472749	0.85	0.59	0.78	0.97	1.16	1.88	0.75	0.67	1.15	0.91	1.14	1.23
Glycolate	ME472718	1.69	0.63	1.09	1.18	0.68	0.71	1.10	1.03	1.16	1.23	0.59	1.07
Anthranilate	ME472725	0.92	0.92	0.96	1.27	0.82	1.18	0.67	0.76	0.82	1.31	0.69	1.81
Adenine	ME472656	0.74	1.21	0.86	1.74	0.58	0.78	0.96	1.52	0.83	1.09	0.80	0.81
3^,5^-Cyclic AMP	ME472671	1.19	1.01	0.72	1.49	0.76	0.74	1.04	1.41	0.64	0.79	1.12	1.00
Ethanolamine phosphate	ME472729	1.07	1.03	0.67	1.20	0.76	0.58	1.24	1.49	0.70	0.88	0.98	1.42
Ornithine	ME472711	0.91	0.81	0.99	0.83	1.33	1.46	0.82	0.77	0.95	0.85	1.18	1.14
Tetradecenoic acid (myristoleic acid)	ME472743	1.08	0.99	1.03	0.94	1.06	1.39	0.68	0.70	1.08	0.95	1.01	1.12
a-Linolenic acid (Octadecatrienoic acid)	ME472747	1.37	0.96	0.90	0.98	1.27	1.14	0.70	0.76	1.04	0.92	0.83	1.17
Hexadecenoic acid (Palmitoleic acid)	ME472744	1.16	0.90	1.00	0.88	1.28	1.27	0.71	0.81	1.03	0.95	0.93	1.14
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)	ME472746	1.13	0.98	0.87	0.96	1.42	1.15	0.69	0.76	1.04	1.01	0.87	1.15
5-Oxoproline	ME472702	1.10	0.95	0.93	0.92	1.28	1.09	0.86	0.86	0.93	0.82	1.14	1.12
g-Oxalo-crotonate	ME472726	1.13	0.88	1.00	0.68	1.29	1.18	0.82	0.79	1.04	0.91	1.12	1.15
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid	ME472754	1.05	0.92	0.96	0.79	1.43	1.21	0.72	0.75	1.11	1.05	1.06	0.96
Urate	ME472670	1.02	0.98	1.07	0.80	1.42	1.19	0.90	0.65	0.90	1.00	1.02	1.02
Cystathionine	ME472709	1.06	0.90	1.22	0.62	1.51	1.33	0.67	0.66	1.27	0.95	1.11	0.68
gamma-L-Glutamyl-D-alanine	ME472706	1.27	0.93	0.99	0.85	1.25	1.08	0.72	1.12	1.04	0.97	0.94	0.82
D-Erythrose 4-phosphate	ME472698	0.99	0.91	1.33	0.82	1.26	0.98	0.93	0.89	1.14	1.18	0.84	0.70
Eicosapentaenoic acid	ME472752	0.92	0.98	1.15	0.89	1.35	1.18	0.72	0.90	1.01	1.11	0.94	0.82
Homocarnosine	ME472719	0.94	1.09	1.42	0.78	1.24	1.24	0.70	0.90	0.96	0.98	1.03	0.65
4-Pyridoxate	ME472674	1.13	0.88	0.87	1.05	0.98	1.07	1.32	0.56	1.13	0.92	1.08	1.05
D-Rhamnose	ME472690	1.18	1.29	1.09	1.00	0.93	1.10	0.81	1.31	0.60	0.79	0.73	1.13
CMP	ME472661	0.98	1.12	0.91	1.21	0.76	0.73	0.99	1.27	0.86	1.40	0.62	1.16
Pentanoate (valerate)	ME472733	1.12	1.02	1.30	0.98	0.64	0.97	0.64	1.24	0.84	1.26	0.91	1.06
(S)(+)-Allantoin	ME472669	0.86	1.04	0.90	1.14	0.93	1.27	1.05	0.93	0.77	0.81	0.86	1.50
1/2-3-Bisphosphoglycerate	ME472683	0.95	0.75	1.18	1.01	0.98	1.28	0.92	0.65	1.20	1.33	0.57	1.29
Adenylosuccinic acid	ME472675	0.76	0.84	1.07	1.05	0.83	1.13	0.98	0.83	1.09	1.28	1.00	1.19
(5-L-Glutamyl)-L-glutamine	ME472707	0.96	0.84	0.99	1.23	0.98	1.04	0.82	0.86	1.01	1.36	0.83	1.12
UMP	ME472666	1.00	0.96	1.00	1.07	0.82	1.04	1.00	0.77	0.89	1.37	0.82	1.31
Argininosuccinate	ME472712	0.91	1.22	0.89	0.67	1.14	1.07	1.04	1.01	1.01	1.07	1.14	0.81
Sphingosine 1-phosphate	ME472730	0.98	1.13	1.19	0.81	0.75	1.13	0.96	0.96	0.94	1.03	1.23	0.86
D-Arabitol	ME472691	0.86	0.87	0.84	0.98	0.97	0.92	1.20	1.31	0.78	0.95	1.01	1.34
D-Ribose	ME472689	0.87	0.88	0.88	0.77	1.02	0.90	1.09	1.21	0.90	1.03	1.19	1.31
Adrenic acid (7,10,13,16-Docosatetraenoic acid)	ME472751	1.09	0.88	0.76	0.82	1.11	0.91	1.09	1.07	1.04	0.93	1.17	1.18
Uracil	ME472667	1.12	1.13	0.80	0.90	0.94	0.77	1.14	1.04	0.97	0.76	1.22	1.25
3-Sulfino-L-alanine	ME472723	1.01	0.92	1.09	1.04	1.01	0.97	0.70	1.11	0.95	1.02	0.89	1.36
N-Acetylneuraminate	ME472713	1.01	1.03	0.97	0.97	0.86	0.90	1.00	1.07	0.99	0.93	0.88	1.50
alpha-D-Ribose 1-phosphate	ME472700	0.92	1.20	0.83	1.07	0.91	0.84	1.04	1.14	1.04	1.17	0.88	0.95
Arachidonic acid (Eicosatetraenoic acid)	ME472748	1.06	1.02	0.89	1.19	0.94	0.70	1.14	1.35	0.80	0.98	0.90	0.99
ADP	ME472654	0.97	1.04	1.13	1.21	0.83	0.91	1.05	1.23	0.72	1.06	0.90	0.85
Pyruvate	ME472686	1.02	1.00	0.97	1.22	0.82	0.87	1.07	1.12	0.85	1.04	1.00	0.99
Mannitol/Sorbitol	ME472688	0.81	0.77	1.00	0.96	0.82	1.02	1.21	1.19	0.93	1.14	0.95	1.23
Sedoheptulose 1/7-phosphate	ME472699	0.86	0.77	0.86	0.95	0.92	0.89	1.17	1.20	1.06	1.24	0.88	1.25
2-Hydroxyglutarate/Citramalate	ME472697	0.97	0.98	0.97	0.95	0.80	0.79	1.16	0.99	1.05	1.11	1.06	1.24
UDP-glucose	ME472676	0.88	0.97	1.08	1.09	0.85	1.00	1.01	1.01	0.87	1.26	0.82	1.16
UDP-N-acetyl-D-glucosamine	ME472716	0.90	0.98	1.05	1.10	0.86	1.01	1.08	0.99	0.85	1.19	0.86	1.12
Taurine	ME472722	1.00	0.98	0.89	1.07	0.89	0.96	1.01	1.10	0.87	1.10	0.98	1.14
trans-4-Hydroxy-L-proline	ME472721	0.96	1.00	0.97	1.07	0.88	0.97	1.05	1.01	0.91	1.10	0.92	1.18
GMP	ME472659	0.87	0.95	0.93	1.02	0.88	0.95	1.03	1.21	0.96	1.10	0.97	1.16
Lactate	ME472687	0.92	0.95	0.99	1.02	0.92	0.98	1.02	1.09	1.00	1.07	0.97	1.11
quinolinic acid	ME472724	1.23	0.90	0.89	1.04	0.80	0.88	0.92	1.10	0.80	1.26	1.00	1.19
AMP	ME472655	1.03	1.06	0.90	1.06	0.73	0.92	1.05	1.28	0.72	1.14	0.88	1.22
D-Glucose 6/1-phosphate	ME472680	0.99	0.92	0.85	1.23	0.78	0.76	1.18	1.18	0.91	1.21	0.80	1.20
GDP	ME472658	1.10	1.03	0.95	1.20	0.74	0.85	1.17	0.99	0.72	1.21	0.88	1.13
1-4-beta-D-Xylan	ME472715	0.95	1.11	0.86	0.96	0.82	1.06	1.06	1.02	0.72	1.03	1.13	1.27
5-L-Glutamyl-taurine	ME472708	1.03	1.05	0.72	0.93	1.01	1.11	0.98	1.08	0.93	1.11	0.83	1.26
3-Phosphonooxypyruvate	ME472710	1.07	1.03	1.06	0.96	0.93	0.97	0.86	1.02	0.99	1.20	0.98	0.89
Thymidine	ME472662	0.69	1.01	1.14	0.87	1.05	1.06	0.89	1.21	1.02	1.18	0.90	0.99
3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione	ME472727	0.83	1.01	1.05	0.92	1.09	0.99	0.97	1.07	1.12	1.12	0.93	0.90
D-Glucose	ME472679	0.83	0.97	1.07	0.87	1.02	1.05	0.92	1.11	1.05	1.16	0.99	0.96
Glutathione disulfide	ME472701	0.85	1.11	1.20	1.14	0.87	1.07	0.89	1.22	0.82	0.90	1.03	0.83
IMP	ME472668	1.03	1.05	1.17	1.06	1.06	1.06	0.89	1.05	0.80	0.92	0.97	0.89
2-Oxoglutarate	ME472693	0.91	0.94	1.09	1.22	0.76	1.10	0.80	1.32	0.83	1.12	0.87	1.01
Butanoic/Butyric acid	ME472732	0.95	0.95	1.11	1.07	0.90	1.03	0.77	1.22	0.77	1.11	1.02	1.06
Dehydroascorbate	ME472705	0.88	0.95	1.12	1.11	0.83	1.08	0.81	1.21	0.87	1.15	0.92	1.05
Decanoic acid (caprate)	ME472738	0.95	1.14	1.17	0.97	0.86	1.01	0.86	0.98	0.79	0.89	1.20	1.17
Octanoic acid (caprylate)	ME472736	0.79	1.02	1.07	1.13	0.84	1.08	0.89	0.99	0.83	1.08	1.10	1.16
CMP-N-acetylneuraminate	ME472717	0.84	0.97	1.11	0.95	0.94	1.12	0.91	1.02	0.96	1.11	1.03	1.04
Dodecanoic acid (lauric acid)	ME472739	0.98	1.06	1.15	0.91	0.94	1.01	0.80	1.06	0.88	1.07	1.06	1.07
Tetradecanoic acid (myristic acid)	ME472740	0.92	1.01	1.13	0.91	1.04	1.03	0.85	1.03	0.94	1.10	0.99	1.05
Nonanoic acid (pelargonate)	ME472737	0.97	1.08	1.09	1.01	0.93	1.05	0.87	0.92	0.80	1.08	1.09	1.10
Heptanoic acid	ME472735	0.98	0.96	1.08	0.99	0.95	1.01	0.86	1.03	0.80	1.07	1.04	1.26
Hexanoic acid (caproate)	ME472734	0.95	1.01	1.10	0.99	0.89	1.03	0.79	1.06	0.82	1.10	1.08	1.21
S-Glutathionyl-L-cysteine	ME472703	0.84	1.06	0.94	1.07	1.27	1.13	0.74	0.88	0.87	0.94	1.09	1.17
Citrate	ME472692	0.92	1.04	0.98	0.99	1.12	1.07	0.95	0.63	1.11	0.93	1.15	1.16
Fumarate	ME472695	1.04	1.09	0.98	0.94	1.06	1.06	0.90	0.81	1.06	1.01	0.98	1.10
Malate	ME472696	0.96	0.99	1.06	0.94	0.97	1.03	0.94	0.81	1.10	1.11	0.93	1.22
5-6-Dihydrothymine	ME472672	1.23	1.02	0.87	1.10	1.07	1.00	0.94	1.07	0.80	0.98	0.96	0.90
Thymine	ME472663	1.14	0.89	0.93	1.09	1.07	0.97	1.04	0.96	0.96	0.98	1.00	0.96
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	ME472682	1.06	0.90	0.94	0.98	1.17	1.05	1.05	0.94	1.08	0.85	1.01	0.98
Docosahexaenoic acid	ME472750	1.05	0.96	0.97	0.93	1.29	1.09	0.90	0.84	1.09	0.93	1.01	0.91
(8Z-11Z-14Z)-Icosatrienoic acid	ME472753	0.96	0.99	0.83	0.88	1.15	0.98	0.83	1.19	0.98	0.98	1.13	1.11
alpha-D-Glucosamine 1-phosphate	ME472714	0.82	1.03	1.05	0.93	1.14	0.96	1.07	1.07	0.81	0.94	1.07	1.08
Hexadecanoic acid (palmitic acid)	ME472741	1.01	1.08	0.90	0.95	1.00	1.01	0.99	0.98	0.92	0.94	1.07	1.21
Ascorbate	ME472704	0.95	1.02	0.98	1.03	1.01	0.98	1.09	1.07	0.95	0.95	0.98	0.97
Octadecenoic acid (Oleic acid)	ME472745	0.99	1.01	0.89	0.91	1.14	1.01	0.98	1.06	1.00	0.97	1.07	0.96
Diphosphate	ME472678	0.97	0.97	0.97	0.95	1.12	0.99	1.02	0.98	1.02	0.98	1.04	1.01
Phosphate	ME472677	0.92	0.95	0.97	0.96	1.06	1.04	1.03	0.97	0.99	1.03	1.05	1.04
Glycerol 3-phosphate	ME472728	0.85	1.03	1.19	0.94	1.20	0.80	1.21	1.69	0.71	0.80	0.68	0.82
Pyridoxal	ME472673	1.11	1.19	0.78	0.88	1.05	0.64	1.23	1.69	0.56	0.82	1.09	0.85
Succinate	ME472694	0.94	1.05	1.08	0.98	0.83	0.79	1.17	1.50	0.70	0.87	1.01	1.02
D-Fructose 1-6-bisphosphate	ME472681	1.01	0.99	1.25	0.97	0.83	0.88	1.39	1.03	1.03	1.23	0.60	0.74
2/3-Phospho-D-glycerate	ME472684	1.10	1.09	1.37	1.05	0.86	0.71	1.48	1.31	0.70	0.89	0.67	0.64
Phosphoenolpyruvate	ME472685	1.00	1.26	1.23	1.13	1.06	0.66	1.11	1.32	0.81	0.85	0.75	0.73
Octadecanoic acid (stearic acid)	ME472742	1.00	1.19	0.98	1.04	0.91	0.54	1.29	1.41	0.85	1.08	0.83	0.80
Sphinganine 1-phosphate	ME472731	0.93	1.13	1.08	1.17	0.87	0.49	1.48	1.27	1.00	1.00	0.78	0.75
CDP	ME472660	1.04	1.33	1.37	1.40	0.87	0.83	1.09	1.22	0.45	0.86	0.80	0.54
GTP	ME472657	1.14	1.20	1.01	1.16	0.79	0.76	1.57	0.85	0.77	0.83	1.00	0.86
UDP	ME472665	1.06	0.97	1.32	1.25	0.81	1.06	1.08	0.89	0.65	0.93	0.94	0.93
ATP	ME472653	0.95	1.06	1.08	1.29	1.01	0.89	1.23	1.11	0.66	0.73	1.08	0.81
UTP	ME472664	1.05	0.99	1.11	1.39	1.00	1.05	1.05	0.91	0.73	0.64	1.05	0.97

Factors:

F1	Treatment:IV iron \| Radiation Dose:Gy10
F2	Treatment:IV iron \| Radiation Dose:Gy11
F3	Treatment:IV iron \| Radiation Dose:Gy7
F4	Treatment:IV iron \| Radiation Dose:Gy8
F5	Treatment:IV iron \| Radiation Dose:Gy9
F6	Treatment:IV iron \| Radiation Dose:no irradiated
F7	Treatment:Saline \| Radiation Dose:Gy10
F8	Treatment:Saline \| Radiation Dose:Gy11
F9	Treatment:Saline \| Radiation Dose:Gy7
F10	Treatment:Saline \| Radiation Dose:Gy8
F11	Treatment:Saline \| Radiation Dose:Gy9
F12	Treatment:Saline \| Radiation Dose:no irradiated

Data matrix