Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002040)

Reversed phase NEGATIVE ION MODE (Analysis AN003320)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
Phosphate	ME472879	0.99	1.13	1.07	0.88	1.08	1.19	0.83	1.08	0.75	0.88	1.05	0.98
Hexadecenoic acid	ME472942	0.50	0.43	1.16	0.55	1.46	1.36	0.65	0.57	0.93	0.65	1.21	2.78
Quinolinic acid	ME472924	0.99	0.47	0.73	0.54	0.93	0.87	1.39	0.85	0.91	0.44	1.22	2.94
Glycerol 3-phosphate	ME472926	1.09	0.65	1.14	0.82	0.96	0.79	1.50	0.99	1.48	1.06	1.05	0.42
N-Glycoloyl-neuraminate	ME472914	0.80	1.03	0.59	0.89	1.38	0.88	1.30	1.07	1.42	0.59	1.11	1.01
Oxaloacetate	ME472900	0.82	1.09	1.04	0.97	1.02	0.92	1.11	1.13	1.10	0.88	0.91	1.01
Sphingosine 1-phosphate	ME472928	0.90	0.81	1.12	0.80	1.09	1.26	0.98	0.89	0.94	0.90	1.04	1.26
Pyruvate	ME472887	1.27	1.29	1.00	1.04	0.90	1.19	0.61	0.88	0.90	0.72	0.71	1.60
Pentanoate (valerate)	ME472931	0.87	0.27	0.16	0.25	1.00	0.20	3.43	2.49	1.71	0.25	1.03	0.17
Adenylosuccinic acid	ME472876	1.20	1.18	0.89	1.03	1.43	1.52	0.35	0.91	0.49	1.36	0.87	0.59
ADP-D-ribose	ME472878	0.40	0.25	1.44	1.16	0.74	1.60	1.29	0.19	1.08	1.61	0.67	1.76
Sphinganine 1-phosphate	ME472929	0.92	0.85	1.71	1.11	1.25	1.13	0.90	0.40	1.06	0.64	0.94	1.14
D-Ribose	ME472891	0.58	0.60	1.24	1.83	0.62	2.70	0.62	0.71	0.89	0.72	0.78	0.80
UTP	ME472868	0.88	0.77	2.06	0.88	1.33	0.46	1.20	0.45	1.01	0.49	0.29	2.29
Octadecenoic acid	ME472943	0.82	0.69	1.16	0.72	1.19	1.21	0.96	0.79	0.94	0.80	1.21	1.54
Thymine	ME472867	0.86	0.45	0.36	2.77	1.17	0.42	1.71	0.90	1.07	0.65	1.39	0.51
Maltose/Sucrose	ME472889	0.83	0.31	0.42	1.12	0.49	0.74	2.59	1.23	1.67	0.66	1.40	0.54
4-Pyridoxate	ME472875	0.89	0.99	1.20	0.97	1.06	1.02	0.59	0.66	0.82	1.53	0.94	1.37
Heptanoic acid	ME472933	0.94	1.05	0.87	0.90	0.90	1.05	1.02	1.27	0.92	0.83	0.89	1.41
Butanoic acid	ME472930	0.53	0.05	0.02	0.04	0.30	0.04	4.99	2.05	2.21	0.12	1.47	0.03
(S)(+)-Allantoin	ME472872	0.88	1.07	0.95	1.17	1.20	1.63	0.68	0.68	0.72	0.87	0.73	1.47
Octanoic acid (caprylate)	ME472934	0.86	1.03	0.94	0.89	0.96	1.08	0.90	1.21	0.94	0.78	0.87	1.62
2-Aminomuconate	ME472925	1.00	0.67	0.57	0.82	0.93	0.74	1.97	1.09	1.51	0.60	1.08	1.11
2-Oxoglutarate	ME472895	0.91	1.07	1.14	0.97	0.97	1.31	0.81	1.06	0.91	0.84	0.75	1.29
dGMP	ME472865	1.03	0.86	1.39	1.39	1.02	0.83	0.82	0.61	1.07	1.29	0.69	1.11
D-Fructose 1-6-bisphosphate	ME472882	0.82	1.54	0.75	0.71	1.64	0.96	0.46	1.23	0.59	0.79	1.44	0.90
N-acetyl-D-glucosamine	ME472917	1.15	1.06	1.33	0.88	0.98	1.05	0.76	1.19	0.88	0.75	0.90	1.01
Decanoic acid (caprate)	ME472936	0.86	1.12	1.00	0.83	0.94	1.08	0.94	1.11	1.04	0.85	0.84	1.45
UDP-D-glucuronate	ME472916	0.84	0.74	1.36	1.14	1.31	1.01	0.64	0.61	1.05	1.38	0.81	1.17
2/3-Phospho-D-glycerate	ME472885	1.17	0.71	0.78	0.66	1.09	0.81	1.68	0.64	1.09	0.74	1.16	1.54
5-6-Dihydrothymine	ME472874	0.89	1.14	0.91	1.70	0.81	1.13	0.73	0.88	0.91	1.04	0.74	1.32
Octadecadienoic acid	ME472944	0.72	0.62	1.72	1.09	1.06	1.43	0.75	0.67	0.91	0.74	0.85	1.56
D-Rhamnose	ME472892	0.61	0.61	0.69	0.75	0.87	1.55	3.04	0.81	0.88	0.66	0.95	0.39
Sedoheptulose 1-phosphate	ME472905	1.09	1.01	0.52	0.58	0.94	1.12	0.93	1.86	0.87	0.66	1.31	0.99
6-Phospho-D-gluconate	ME472904	1.29	0.88	0.61	1.04	1.22	1.17	1.00	1.06	0.88	1.03	1.04	0.70
ADP	ME472862	1.16	1.23	1.22	0.96	1.32	0.79	1.01	0.97	0.82	0.85	0.75	0.86
Uracil	ME472871	1.34	1.01	0.69	0.86	1.12	0.79	1.11	1.29	0.96	0.76	1.18	0.81
Indole-3-acetate	ME472922	1.18	1.66	0.75	1.92	1.19	0.85	0.45	0.85	1.26	1.05	0.71	0.21
Octadecanoic acid	ME472940	0.94	0.82	1.49	1.28	1.14	1.27	0.91	0.44	1.05	0.62	0.84	1.34
N-Acetylneuraminate	ME472913	0.93	1.02	0.66	1.00	1.09	1.12	0.94	0.86	1.26	0.63	0.72	2.04
trans-4-Hydroxy-L-proline	ME472919	0.92	0.79	0.90	1.59	0.88	1.03	1.00	1.02	1.01	0.90	0.95	1.17
UDP-glucose	ME472877	0.71	0.94	1.34	1.42	1.01	1.47	0.82	0.39	0.93	1.16	0.49	1.49
UDP	ME472869	1.20	1.00	1.41	0.94	1.31	0.76	1.23	0.61	0.88	0.73	0.51	1.48
UMP	ME472870	0.87	0.78	1.16	1.18	1.05	1.07	0.93	0.54	0.85	1.15	0.82	1.75
Fumarate	ME472898	1.47	1.36	0.78	0.95	1.17	1.28	0.50	1.10	0.68	0.87	0.82	0.95
Lactate	ME472888	1.12	0.94	1.18	1.07	0.88	1.22	0.62	0.95	0.86	0.91	0.86	1.45
(5-L-Glutamyl)-L-glutamine	ME472910	0.67	0.97	1.20	2.56	0.72	1.33	0.48	0.92	0.88	1.16	0.70	0.61
Octadecatrienoic acid	ME472945	0.46	0.33	2.17	0.44	0.96	2.10	0.63	0.53	0.90	0.60	1.00	1.94
3-Sulfocatechol	ME472920	1.40	0.45	0.19	0.20	0.38	0.51	2.68	1.26	1.39	0.21	1.63	1.34
alpha-D-Ribose 1-phosphate	ME472906	0.95	1.50	0.72	0.74	1.14	1.09	0.54	1.69	0.58	0.88	1.31	0.64
1-3-Bisphosphoglycerate	ME472884	0.87	0.56	0.65	0.26	1.42	0.41	0.68	0.56	0.38	0.31	1.28	4.31
D-Arabitol/Xylitol/Ribitol	ME472893	0.88	0.86	1.08	0.78	1.10	1.57	0.79	0.81	0.95	0.73	0.96	1.53
D-Glucono-1-5-lactone 6-phosphate	ME472903	0.88	0.63	0.52	0.55	0.87	0.99	1.45	1.95	1.03	0.73	1.11	1.25
Dehydroascorbate	ME472909	0.95	1.02	1.27	1.12	0.96	1.40	0.74	0.96	0.86	0.85	0.75	1.14
3-Methyldioxyindole	ME472921	1.16	0.12	0.08	0.10	0.19	0.10	3.47	1.31	2.26	0.13	2.88	0.10
Hexadecanoic acid	ME472939	0.81	0.75	1.16	0.83	1.16	1.24	0.82	0.83	0.93	0.91	1.07	1.56
Docosahexaenoic acid	ME472948	0.90	0.89	1.13	1.52	1.06	1.50	0.82	0.81	0.91	0.74	0.82	0.99
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid	ME472951	0.81	0.82	1.14	1.26	1.16	1.48	0.83	0.86	0.99	0.74	0.95	1.03
CDP	ME472866	1.29	1.25	1.32	0.97	1.37	0.78	1.01	0.87	0.97	0.73	0.59	0.80
(8Z-11Z-14Z)-Icosatrienoic acid	ME472950	0.90	0.86	0.73	1.25	1.13	1.08	0.90	1.13	0.97	0.68	1.01	1.50
2-Oxoglutaramate	ME472896	1.20	0.82	0.93	1.00	0.98	0.90	1.28	1.01	1.02	0.62	1.16	1.10
Phosphoenolpyruvate	ME472886	1.56	0.66	0.52	0.67	1.25	0.75	1.76	0.88	0.94	0.51	1.15	1.28
Tetradecanoic acid	ME472938	0.68	0.49	1.06	0.45	1.31	1.03	0.95	0.73	1.16	0.82	1.31	2.16
Ascorbate	ME472908	1.05	1.22	1.44	0.99	1.01	0.93	0.71	0.95	0.88	1.02	0.84	0.92
Hexanoic acid (caproate)	ME472932	0.79	1.00	0.82	0.82	0.89	1.02	1.20	1.25	0.99	0.80	0.85	1.65
D-Glucose	ME472881	0.91	1.09	0.74	0.89	1.06	1.20	0.93	0.89	0.94	0.79	0.68	2.06
Succinate	ME472897	0.84	0.17	1.61	1.02	0.73	0.55	1.54	0.54	1.57	1.53	0.96	1.08
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	ME472883	0.97	1.55	0.67	0.80	1.15	1.10	0.60	1.40	0.66	0.90	1.06	1.06
Malate	ME472899	1.27	1.17	0.82	1.06	1.15	1.22	0.55	1.08	0.80	0.95	0.90	1.02
Phosphodimethyl-ethanolamine	ME472927	0.93	0.85	1.61	1.02	0.92	1.11	0.73	0.84	0.74	1.16	0.69	1.43
CMP-N-acetylneuraminate	ME472918	1.17	1.27	0.80	0.92	1.27	1.10	0.81	1.04	0.90	0.87	0.97	0.81
GMP	ME472864	1.17	1.08	1.06	1.07	1.23	1.05	0.86	0.72	0.84	1.10	0.88	0.90
Tetradecenoic acid	ME472941	0.59	0.67	0.78	0.43	1.27	0.96	0.72	0.72	0.97	0.67	1.53	2.98
Cystathionine	ME472912	1.12	0.89	0.62	0.64	0.85	0.76	1.42	1.59	1.04	1.04	1.37	0.48
ATP	ME472861	0.97	0.95	2.09	0.79	1.59	0.53	1.03	0.61	0.83	0.68	0.55	1.39
Indolepyruvate	ME472923	0.91	0.67	1.07	1.79	0.92	1.38	0.79	0.66	0.92	1.18	0.70	1.20
D-Glucoronate	ME472915	0.86	0.62	0.94	1.43	0.99	1.14	1.07	1.03	1.19	0.76	1.28	0.76
Itaconate	ME472902	0.96	1.06	1.15	0.90	0.95	1.36	0.77	1.07	0.87	0.82	0.78	1.33
Diphosphate	ME472880	1.00	1.14	1.08	0.78	1.12	1.16	0.74	1.14	0.75	0.94	1.13	0.90
2-Hydroxyglutarate	ME472901	1.05	0.68	0.57	0.53	1.02	1.04	1.85	1.00	1.31	0.63	1.48	0.75
GDP	ME472863	1.23	1.24	1.51	0.71	1.46	0.74	0.93	0.81	0.87	0.82	0.74	0.83
Mannitol/Sorbitol	ME472890	0.75	0.51	1.44	2.72	0.73	1.64	0.61	0.47	0.59	1.15	0.59	1.07
Eicosatetraenoic acid	ME472946	1.02	0.89	1.17	1.44	1.11	1.28	0.85	0.85	0.88	0.77	0.92	0.85
Nonanoic acid (pelargonate)	ME472935	0.86	1.12	0.98	0.91	0.91	1.02	0.93	1.11	1.04	0.89	0.91	1.38
Dodecanedioic acid	ME472949	0.95	0.28	0.20	0.35	0.63	0.32	2.92	1.57	1.84	0.32	1.84	0.57
Eicosapentaenoic acid	ME472947	0.80	0.64	1.63	1.12	1.00	1.94	0.63	0.62	0.85	0.71	0.73	1.40
S-Glutathionyl-L-cysteine	ME472907	1.04	1.18	1.03	1.08	1.14	1.24	0.58	1.12	0.71	0.78	1.00	1.08
Urate	ME472873	1.08	0.95	0.96	0.86	1.31	1.36	0.72	0.88	0.86	0.81	1.19	0.95
Dodecanoic acid	ME472937	0.89	0.92	0.94	0.85	1.01	1.09	0.94	0.91	1.03	0.91	1.03	1.58
5-L-Glutamyl-taurine	ME472911	1.90	0.89	0.72	0.83	1.40	0.93	0.74	1.31	0.79	0.47	1.08	0.84
Citrate	ME472894	1.05	1.27	0.94	0.91	1.15	1.01	1.03	1.08	0.91	0.77	1.06	0.72

Factors:

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

Data matrix