Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002036)

Reversed phase NEGATIVE ION MODE (Analysis AN003312)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
Mannitol/Sorbitol	ME472097	0.31	3.71	1.10	0.43	0.32	0.75	0.59	0.26	0.47	0.78	2.37	0.78
Tetradecenoic acid (myristoleic acid)	ME472159	0.76	1.77	0.72	0.77	2.27	0.90	0.67	0.58	0.85	0.73	0.78	1.22
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid	ME472171	0.87	0.92	0.99	0.97	2.00	1.19	0.86	0.52	0.86	0.73	0.92	1.19
Adrenic acid (7,10,13,16-Docosatetraenoic acid)	ME472168	0.87	1.07	0.85	0.78	2.51	0.92	0.88	0.58	0.69	0.68	1.14	0.96
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)	ME472162	1.25	0.73	0.83	0.51	2.08	0.90	0.75	0.62	1.35	0.59	1.13	1.42
Octadecenoic acid (Oleic acid)	ME472161	1.43	0.78	0.90	0.58	1.92	1.10	0.70	0.63	1.17	0.59	0.98	1.33
Hexadecenoic acid (Palmitoleic acid)	ME472160	1.19	0.59	0.87	0.46	2.89	1.08	0.51	0.51	1.29	0.35	0.86	1.59
a-Linolenic acid (Octadecatrienoic acid)	ME472163	1.11	0.58	0.79	0.41	2.76	0.82	0.70	0.51	1.50	0.45	1.08	1.48
Stearidonic acid ((6Z,9Z,12Z,15Z)-Octadecatetraenoic acid)	ME472165	0.78	0.74	0.76	0.45	3.02	0.91	0.72	0.47	1.51	0.45	0.90	1.52
NADH	ME472086	1.75	1.06	0.89	0.55	1.22	0.55	1.41	2.03	0.54	0.89	0.34	0.59
Pantetheine	ME472135	1.73	1.51	0.85	0.59	1.04	0.83	1.23	1.17	0.89	0.84	0.67	0.54
Glutathione	ME472112	1.65	1.48	0.65	0.32	0.85	0.55	1.76	1.61	0.96	1.06	0.35	0.67
S-Glutathionyl-L-cysteine	ME472115	1.47	1.27	0.79	0.49	0.81	0.81	1.52	1.37	1.04	1.07	0.47	0.88
Succinate	ME472104	1.51	1.22	0.90	0.57	0.92	0.74	1.57	1.17	0.99	1.09	0.56	0.69
Glutathione disulfide	ME472113	1.77	1.47	0.45	0.10	0.99	0.40	1.91	2.08	1.16	0.87	0.12	0.49
Phosphocreatine	ME472130	1.81	2.31	0.79	0.16	0.79	0.28	1.67	1.72	0.59	1.04	0.16	0.47
CDP	ME472071	0.91	1.03	0.94	0.52	0.79	0.92	1.84	1.20	0.71	0.84	0.75	1.59
ATP	ME472065	0.93	0.84	0.78	0.66	1.28	0.81	1.84	1.30	0.68	0.95	0.77	1.12
NADPH	ME472085	1.20	0.91	0.87	0.72	1.40	0.75	1.34	0.99	0.69	1.03	0.87	1.19
trans-4-Hydroxy-L-proline	ME472133	0.75	0.78	1.20	0.76	0.70	0.92	1.51	1.21	1.01	1.04	1.10	1.02
Citrate	ME472101	1.11	1.07	0.91	0.63	0.71	0.61	1.61	1.06	0.87	1.07	1.21	1.14
Ascorbate	ME472116	0.93	1.24	0.87	0.79	1.11	0.68	1.34	1.01	0.83	1.23	1.11	0.78
Indolepyruvate	ME472142	0.95	1.18	0.85	0.85	0.80	0.70	1.20	1.14	0.93	1.10	1.34	0.93
3-Sulfocatechol	ME472140	1.04	0.84	1.11	0.54	0.70	0.80	1.55	0.93	0.86	0.79	1.71	1.01
dTMP	ME472074	1.23	0.53	0.76	0.60	0.64	0.97	1.39	1.14	1.20	1.06	1.35	1.22
5-L-Glutamyl-taurine	ME472119	0.81	1.55	1.03	1.06	1.13	1.08	0.83	0.80	0.57	0.72	1.48	0.80
gamma-L-Glutamyl-L-cysteine	ME472118	0.81	1.20	1.20	1.00	1.24	1.20	0.75	0.64	0.66	0.81	1.29	1.17
Octadecanoic acid (stearic acid)	ME472158	1.13	0.80	1.18	0.56	1.08	1.35	1.02	0.81	1.09	0.76	1.43	0.76
Pyridoxal	ME472080	0.98	0.83	1.06	0.46	1.30	1.50	1.25	0.79	0.86	0.69	1.25	1.01
Docosahexaenoic acid	ME472166	1.03	0.94	0.98	0.94	1.50	1.01	1.01	0.74	0.86	0.96	1.00	1.01
Sphingosine 1-phosphate	ME472148	1.33	0.85	1.02	0.70	1.33	1.11	0.84	0.92	1.00	0.83	1.01	1.09
Tetradecanoic acid (myristic acid)	ME472156	1.07	0.85	0.96	0.66	1.66	1.15	0.84	0.63	1.13	0.70	0.99	1.47
Eicosapentaenoic acid	ME472169	0.77	0.86	0.94	0.70	1.60	1.22	1.09	0.71	1.03	0.83	1.02	1.30
Hexadecanoic acid (palmitic acid)	ME472157	0.97	0.83	0.92	0.71	1.63	1.20	0.92	0.66	0.98	0.78	1.15	1.31
Urate	ME472079	0.94	0.87	0.84	0.70	1.57	1.09	1.05	0.64	0.73	0.66	1.46	1.49
D-4--Phosphopantothenate	ME472136	1.05	1.00	0.89	0.56	1.42	1.06	1.21	1.09	0.71	0.75	1.17	1.05
Pantothenol	ME472134	1.12	0.98	0.87	0.69	1.49	1.15	1.10	0.70	0.83	0.72	1.10	1.28
(8Z-11Z-14Z)-Icosatrienoic acid	ME472170	0.84	0.82	0.90	0.63	1.39	1.16	1.25	0.71	0.91	0.80	1.28	1.36
Arachidonic acid (Eicosatetraenoic acid)	ME472164	0.94	0.97	1.01	0.70	1.34	1.08	1.20	0.78	0.82	0.88	1.19	1.07
Cystathionine	ME472120	0.69	0.54	1.11	0.92	0.93	1.34	1.21	0.82	1.01	0.87	1.13	1.53
dAMP	ME472068	0.78	0.75	1.14	0.71	0.99	1.10	1.25	1.18	0.73	0.98	0.83	1.64
ADP-D-ribose	ME472084	0.68	0.92	1.23	1.60	0.88	1.06	0.71	0.72	0.92	1.17	1.08	1.02
UMP	ME472075	0.82	1.09	1.11	1.37	0.83	0.99	0.93	0.74	0.88	1.21	1.00	1.01
5-Oxoproline	ME472114	0.70	0.84	1.07	0.85	1.07	1.28	1.06	0.78	0.80	0.86	1.40	1.32
CMP	ME472072	0.66	0.98	1.16	1.04	0.79	1.11	1.04	0.79	0.74	1.08	1.38	1.24
3-Sulfino-L-alanine	ME472138	0.70	1.08	1.29	1.08	0.84	1.17	0.83	0.97	0.98	0.81	0.99	1.35
Sedoheptulose 1/7-phosphate	ME472109	0.91	0.81	1.21	1.19	0.99	1.20	0.83	0.80	0.75	0.88	1.10	1.36
D-Fructose 1-6-bisphosphate	ME472091	0.73	0.95	1.19	1.32	0.80	1.40	0.66	0.91	1.04	1.03	1.11	0.82
Malate	ME472106	0.76	0.77	1.25	1.14	0.99	1.38	0.86	0.75	0.96	0.93	1.15	1.05
Fumarate	ME472105	0.81	0.91	1.21	1.12	1.03	1.18	0.82	0.90	0.99	0.85	1.28	0.86
Phosphoserine	ME472121	0.71	0.97	1.12	1.05	1.00	1.10	1.06	0.96	0.89	0.92	1.18	1.03
D-Erythrose 4-phosphate	ME472108	0.72	0.84	1.01	1.11	0.85	1.04	0.93	0.66	0.81	1.47	1.12	1.52
D-Glucose 6/1-phosphate	ME472090	0.80	0.78	1.06	1.02	0.93	1.02	1.05	0.82	0.97	1.15	1.11	1.35
Dodecanedioic acid	ME472167	1.05	0.72	0.93	0.95	0.91	1.01	1.13	0.72	1.10	1.22	1.02	1.31
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	ME472092	0.87	0.93	1.06	0.88	0.80	1.04	0.93	0.92	1.18	1.30	1.06	1.08
Pyruvate	ME472095	0.72	0.91	1.17	0.96	0.71	1.15	0.98	0.81	1.11	1.39	0.87	1.31
alpha-D-Glucosamine 1-phosphate	ME472126	0.88	0.85	0.93	0.66	0.97	1.11	1.21	0.97	1.02	0.91	1.26	1.31
D-Arabitol	ME472100	0.93	1.05	1.07	0.65	0.95	1.04	1.39	0.81	0.92	0.97	1.06	1.18
Butanoic/Butyric acid	ME472149	0.95	1.38	1.14	0.84	0.86	0.97	1.09	1.26	0.90	0.93	0.71	0.95
CMP-N-acetylneuraminate	ME472129	1.10	1.33	0.86	0.78	0.99	0.84	1.24	1.27	0.88	1.01	0.71	0.96
GDP	ME472070	1.10	1.10	0.76	0.70	1.10	0.92	1.37	1.21	0.87	0.97	0.71	1.21
ADP	ME472066	0.89	0.94	0.88	0.91	1.13	0.92	1.40	1.02	0.94	1.12	0.78	1.06
2-Hydroxyglutarate/Citramalate	ME472107	0.98	0.98	0.95	0.84	0.96	0.87	1.34	1.18	0.89	1.13	0.88	0.99
Adenine	ME472069	0.94	1.19	0.90	0.79	0.97	0.98	1.30	1.11	0.85	1.04	0.97	0.94
3-Phosphonooxypyruvate	ME472122	0.82	1.15	1.22	0.98	0.92	1.17	0.94	1.16	0.97	0.84	0.84	1.00
D-Ribose	ME472098	0.97	1.23	1.30	1.00	0.94	0.80	0.95	1.13	0.87	1.02	0.86	0.87
2-Oxoglutarate	ME472102	1.05	1.08	1.10	1.02	1.08	1.03	0.90	0.72	0.96	0.80	0.95	1.36
Nonanoic acid (pelargonate)	ME472153	0.91	1.14	1.08	0.91	0.92	0.89	1.00	0.91	0.81	1.00	0.92	1.59
Octanoic acid (caprylate)	ME472152	0.96	1.02	1.16	0.83	1.08	0.99	0.89	0.88	0.85	1.00	0.96	1.44
Dodecanoic acid (lauric acid)	ME472155	1.01	1.11	1.07	0.88	1.21	0.97	0.91	0.93	0.94	0.94	0.86	1.22
Heptanoic acid	ME472151	0.90	1.01	1.20	0.97	1.01	1.04	0.92	0.94	0.89	1.07	0.86	1.21
Hexanoic acid (caproate)	ME472150	0.90	1.00	1.19	0.94	0.95	1.07	0.95	0.98	0.98	1.03	0.78	1.29
N-Acetylneuraminate	ME472124	1.07	1.10	0.96	0.96	0.95	1.15	0.92	0.70	0.85	1.12	1.10	1.09
g-Oxalo-crotonate	ME472144	0.99	0.86	1.08	0.80	0.97	1.20	1.10	1.08	0.90	0.93	1.05	1.10
4-Pyridoxate	ME472081	1.08	0.97	0.98	0.88	1.16	1.03	0.97	1.04	0.87	0.98	1.07	0.93
Taurine	ME472137	1.08	1.04	1.00	1.03	1.07	1.04	0.97	0.98	0.89	0.98	0.85	1.04
Uracil	ME472076	1.05	1.15	1.01	0.89	0.90	1.06	1.16	1.07	0.85	1.07	0.77	1.00
3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione	ME472145	1.01	1.19	1.00	0.93	0.91	1.04	1.00	0.96	0.98	1.17	0.91	0.85
D-Glucose	ME472089	0.95	1.20	1.04	0.95	0.86	1.05	0.91	1.08	1.07	1.10	0.83	0.98
Decanoic acid (caprate)	ME472154	0.85	1.13	1.04	0.90	0.94	0.92	1.00	0.95	0.85	1.26	0.97	1.19
Lactate	ME472096	1.01	0.96	1.01	0.97	0.80	1.07	1.17	0.86	1.08	1.18	0.91	1.00
Dehydroascorbate	ME472117	0.75	0.99	1.09	0.96	1.01	1.01	1.17	0.84	0.99	1.15	1.01	1.04
2-Oxoglutaramate	ME472103	0.90	0.92	1.02	0.94	0.92	1.08	1.21	0.95	0.86	1.17	1.01	1.01
Diphosphate	ME472088	0.90	0.97	0.92	0.99	1.03	0.97	1.06	0.94	0.94	1.11	1.12	1.05
Ethanolamine phosphate	ME472147	0.89	1.02	0.92	1.01	0.96	0.95	1.16	1.04	0.93	1.08	0.93	1.12
Phosphate	ME472087	0.90	0.99	0.94	0.96	1.03	1.03	1.16	0.94	0.92	1.06	0.96	1.12
1-4-beta-D-Xylan	ME472127	1.04	1.46	1.00	1.24	0.91	0.87	0.98	1.00	0.77	1.16	0.75	0.71
IMP	ME472077	1.03	1.31	1.17	1.18	0.72	0.87	0.95	1.07	0.88	1.45	0.60	0.67
AMP	ME472067	1.04	1.34	1.04	1.04	0.82	0.93	1.03	1.18	0.86	1.24	0.65	0.76
UDP-glucose	ME472083	1.01	1.26	0.98	1.23	0.82	0.77	1.12	1.21	0.84	1.34	0.50	0.86
UDP-N-acetyl-D-glucosamine	ME472128	1.02	1.32	1.04	1.21	0.73	0.78	1.05	1.20	0.88	1.34	0.57	0.80
(S)(+)-Allantoin	ME472078	0.98	1.85	0.77	1.04	0.96	0.75	1.12	0.86	0.81	1.16	0.81	0.81
Cytidine	ME472073	0.81	1.80	1.04	0.88	0.74	0.94	0.81	0.84	1.00	1.11	1.13	0.88
D-Rhamnose	ME472099	0.89	1.59	1.07	0.86	0.80	1.22	0.84	0.93	0.74	0.93	1.07	1.00
5-Phospho-alpha-D-ribose 1-diphosphate	ME472111	1.25	1.07	1.06	0.97	1.12	0.88	0.96	1.33	0.85	0.63	1.16	0.61
Glycerol 3-phosphate	ME472146	1.10	1.40	0.95	0.79	1.27	0.71	1.22	1.23	0.63	0.93	0.99	0.64
quinolinic acid	ME472143	1.11	1.54	0.84	0.87	1.47	1.06	0.69	1.20	0.84	0.67	0.81	0.83
4-Acetamidobutanoate	ME472131	0.77	1.36	1.21	0.91	1.51	0.85	1.07	0.75	0.76	1.13	0.83	0.76
N-Glycoloyl-neuraminate	ME472125	0.81	1.66	0.95	1.05	1.76	0.86	0.74	0.86	0.74	0.96	0.74	0.78
2/3-Phospho-D-glycerate	ME472093	0.52	0.64	1.62	0.86	0.66	1.92	0.75	0.76	0.96	0.90	0.72	1.86
Phosphoenolpyruvate	ME472094	0.62	0.61	1.57	0.97	0.72	2.22	0.69	0.69	0.89	0.78	0.62	1.75
N-Acetyl-L-citrulline	ME472132	0.55	0.81	1.58	1.79	0.55	1.54	0.57	0.60	0.93	0.94	0.97	1.19
5-Hydroxyindoleacetate	ME472141	0.62	0.56	1.38	1.12	0.96	1.31	0.76	0.50	0.80	1.14	1.09	1.90
Thiocysteine	ME472139	0.31	0.80	1.05	1.31	1.46	1.51	0.53	0.64	0.56	0.86	1.32	1.12
Adenylosuccinic acid	ME472082	0.43	0.54	1.46	1.56	0.90	1.46	0.54	0.53	0.83	1.23	1.35	1.18
alpha-D-Ribose 1-phosphate	ME472110	0.45	0.64	1.14	1.60	0.84	1.21	0.63	0.67	0.83	1.08	1.54	1.43
Argininosuccinate	ME472123	0.49	0.65	1.23	1.44	1.08	1.28	0.37	0.69	0.68	0.80	1.69	1.48

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