Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for 2014 Biotron Experiment Metabolites (Study ST000290)

ESI Negative mode (Analysis AN000463)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15
ISOCITRIC ACID	ME104086	4.41	0.09	0.01	0.02	0.01	0.11	4.28	0.01	0.01	0.01	5.17	0.06	0.01	0.01	0.01
N-ACETYL-L-ASPARTIC ACID	ME104096	0.73	1.47	0.36	4.95	0.31	0.27	0.63	0.86	0.29	0.14	3.46	0.68	0.45	0.33	0.22
CYTIDINE 5^-DIPHOSPHATE	ME104066	1.82	0.59	0.00	NA	NA	2.67	1.61	0.01	0.00	NA	1.39	0.30	0.01	0.00	NA
3-(2-HYDROXYPHENYL)PROPANOATE	ME104050	3.80	1.11	0.32	0.32	0.34	2.77	1.18	0.34	0.15	0.09	2.03	1.31	0.24	0.16	0.15
CITRATE	ME104063	2.78	1.10	0.21	0.27	0.22	3.27	1.91	0.28	0.14	0.07	2.82	1.12	0.23	0.14	0.10
L-2-PHOSPHOGLYCERIC ACID	ME104087	3.20	1.39	0.22	0.19	0.20	2.79	2.09	0.28	0.11	0.01	2.60	1.08	0.33	0.07	0.01
ADP_1	ME104056	2.27	1.99	0.11	0.04	0.03	3.39	1.54	0.11	0.03	0.00	2.13	1.07	0.20	0.05	NA
ADP_2	ME104057	2.35	1.32	0.03	0.01	0.00	2.56	2.09	0.02	0.00	NA	2.28	1.19	0.04	0.01	NA
UDP	ME104108	2.46	1.92	0.04	0.01	0.03	2.58	2.31	0.08	0.04	NA	1.65	1.51	0.23	0.00	NA
GLUCOSE/FRUCTOSE [M+Cl]-	ME104074	1.98	0.76	0.53	1.14	0.62	2.30	1.30	0.54	0.48	0.47	2.21	0.91	0.47	0.52	0.64
ALPHA-KETOGLUTARIC ACID	ME104058	2.58	1.03	0.63	0.28	0.22	2.82	1.52	0.51	0.25	0.12	2.49	1.24	0.28	0.37	0.29
3-METHYL-2-OXOVALERIC ACID	ME104051	2.28	1.04	0.62	0.52	0.54	2.30	1.29	0.67	0.49	0.34	2.15	1.02	0.47	0.47	0.50
6-PHOSPHOGLUCONIC ACID	ME104053	2.18	1.17	0.39	0.29	0.13	2.45	1.66	0.73	0.47	0.37	2.28	1.26	0.51	0.43	0.35
SHIKIMATE_1	ME104102	1.02	1.75	0.75	0.54	0.28	1.47	1.61	0.98	0.38	0.70	1.83	1.56	0.97	0.74	0.55
SARCOSINE	ME104101	1.50	1.43	1.28	0.67	0.25	2.15	1.02	0.78	0.62	0.58	1.67	0.89	0.82	0.69	0.59
SHIKIMATE_2	ME104103	1.65	1.31	0.77	0.54	0.14	2.36	1.27	0.92	0.69	0.60	1.44	0.93	1.12	0.54	0.73
HEXOSE ALCOHOL	ME104084	1.48	1.23	0.80	0.54	0.31	1.97	1.13	0.98	0.76	0.67	1.50	1.10	0.85	0.81	0.70
SUCCINATE	ME104104	1.40	1.26	0.81	0.44	0.29	1.72	1.28	1.14	0.84	0.66	1.56	1.17	0.92	0.74	0.56
GLUTATHIONE	ME104076	1.73	1.22	0.69	0.37	0.35	1.79	1.63	0.96	0.68	0.49	1.72	1.23	0.79	0.57	0.57
URIDINE-5-MONOPHOSPHATE	ME104112	1.69	1.17	0.79	0.32	0.17	1.79	1.65	1.00	0.56	0.32	2.10	1.30	0.61	0.70	0.54
CMP	ME104064	1.65	1.20	1.13	0.46	0.22	1.91	1.30	0.97	0.56	0.38	1.94	0.88	0.76	0.75	0.74
ADENOSINE 5^-MONOPHOSPHATE	ME104055	1.57	1.51	0.98	0.31	0.23	1.71	1.46	1.02	0.54	0.26	1.82	1.26	0.59	0.83	0.69
GUANOSINE 5^-MONOPHOSPHATE	ME104083	1.62	1.32	1.02	0.37	0.17	1.81	1.32	1.06	0.68	0.39	1.65	1.13	0.65	0.86	0.65
Guanosine	ME104082	1.62	0.77	0.79	0.56	0.37	2.16	1.17	0.90	0.80	0.82	1.92	0.84	0.83	0.66	0.63
L-GLUTAMIC ACID	ME104088	1.77	1.17	0.91	0.65	0.27	2.27	1.12	0.76	0.61	0.56	1.77	0.99	0.74	0.67	0.59
L-TYROSINE	ME104091	1.86	1.14	0.77	0.62	0.34	2.18	1.22	0.82	0.59	0.58	1.75	1.07	0.64	0.62	0.57
C6H12O6-HEXOSE/KETOSE/INOSITOL	ME104062	2.01	1.01	0.73	0.94	0.53	2.15	1.06	0.68	0.58	0.52	1.80	0.89	0.59	0.65	0.62
Glyceraldehyde	ME104077	1.85	1.10	0.73	0.86	0.48	1.90	1.09	0.69	0.58	0.51	1.85	1.06	0.70	0.76	0.66
D-RIBOSE 5-PHOSPHATE	ME104070	1.92	0.93	0.68	0.37	0.15	2.45	1.55	0.92	0.61	0.49	1.71	0.99	0.67	0.69	0.59
QUINATE	ME104100	1.93	0.98	0.70	0.50	0.44	2.02	1.26	0.85	0.62	0.56	1.85	1.15	0.76	0.60	0.56
Glucose 6-phosphate/Fructose 6-phosphate	ME104073	1.94	1.13	0.68	0.53	0.40	2.01	1.52	0.81	0.55	0.50	1.91	1.03	0.63	0.60	0.52
GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE	ME104079	2.07	1.01	0.60	0.43	0.28	2.18	1.54	0.79	0.55	0.45	1.96	1.10	0.61	0.61	0.51
MALATE	ME104092	1.94	1.10	0.57	0.43	0.26	2.16	1.43	0.85	0.60	0.52	1.96	1.19	0.65	0.58	0.47
GLYCERIC ACID	ME104078	1.58	0.67	0.69	0.89	0.94	1.80	1.13	0.89	0.92	0.86	1.30	0.76	0.74	0.78	0.84
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE	ME104072	1.68	1.37	1.24	1.29	0.62	1.56	0.97	0.65	0.49	0.55	1.50	0.96	0.70	0.74	0.57
Tryptophan	ME104106	1.28	1.19	1.17	1.08	0.61	1.89	1.12	0.78	0.65	0.66	1.43	0.89	0.68	0.79	0.76
C5-SUGAR ALCOHOL	ME104061	1.46	1.15	1.15	0.87	0.66	1.50	1.11	0.99	0.78	0.68	1.19	1.05	0.79	0.75	0.74
ASPARTATE	ME104059	1.64	1.26	1.01	0.91	0.39	1.74	1.00	0.82	0.71	0.75	1.37	0.97	0.83	0.80	0.62
THREONINE/HOMOSERINE	ME104105	1.47	1.49	1.36	0.81	0.34	1.60	0.98	0.83	0.66	0.58	1.47	0.96	0.82	0.81	0.76
L-GLUTAMINE	ME104089	0.60	0.93	0.78	0.81	0.10	1.61	0.89	1.20	1.40	1.30	1.18	0.84	1.23	1.11	0.99
MALEIC ACID	ME104093	1.29	0.79	0.91	0.57	0.19	1.57	0.81	1.54	0.99	1.01	1.40	0.85	0.87	0.97	0.93
URIDINE	ME104111	1.40	0.55	0.68	0.69	0.27	1.95	0.87	1.16	1.00	1.32	1.56	0.71	1.15	0.76	0.81
5-OXO-L-PROLINE	ME104052	0.73	1.19	1.23	1.56	0.38	1.37	0.89	0.95	0.87	0.71	1.23	1.00	1.15	1.05	0.83
L-METHIONINE	ME104090	1.27	1.23	1.54	1.01	0.45	1.26	0.72	0.79	0.90	0.97	0.92	0.65	0.98	1.01	1.44
GLYCOLATE	ME104080	0.93	0.96	1.14	1.09	1.07	0.97	0.96	0.97	1.04	0.96	0.95	0.93	1.00	1.05	0.98
Tryptophan-2,3,3-D3	ME104107	0.92	1.12	1.01	1.07	1.12	0.86	0.97	0.99	0.98	1.06	0.89	0.97	0.94	1.06	1.05
C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL-GLC)	ME104060	1.03	1.05	1.02	0.94	0.89	1.01	0.86	1.05	1.02	1.02	0.97	1.00	1.04	1.04	1.05
DISACCHARIDE (6C/6C)	ME104068	0.94	1.16	1.10	0.98	0.95	0.94	0.98	0.98	1.02	0.94	1.01	1.09	0.93	1.01	0.94
ADENINE	ME104054	0.74	1.18	1.40	0.77	0.82	0.76	0.78	1.01	1.34	1.22	0.79	0.75	1.38	1.20	0.83
URACIL	ME104109	0.87	1.58	1.48	0.67	0.56	0.69	1.01	1.20	1.31	0.87	0.70	1.05	1.31	0.98	0.54
NALPHA-ACETYL-L-LYSINE_1	ME104097	2.39	2.16	1.97	0.77	0.32	1.00	1.11	0.70	0.42	0.26	0.99	1.24	0.57	0.45	0.27
NALPHA-ACETYL-L-LYSINE_2	ME104098	1.18	2.05	2.16	1.73	0.89	0.22	0.93	0.86	0.71	0.54	0.23	1.32	0.73	0.79	0.60
2,3-DIHYDROXYBENZOATE_2	ME104049	1.30	1.72	2.23	1.79	1.25	0.79	0.85	0.59	0.36	0.37	1.06	0.92	0.65	0.71	0.45
HOMOVANILLATE	ME104085	1.44	1.65	1.73	1.31	1.33	0.95	0.67	0.77	0.49	0.44	0.88	1.18	0.74	0.72	0.73
D-SACCHARIC ACID	ME104071	0.97	0.84	1.56	2.60	1.54	0.95	0.68	0.64	0.59	0.85	0.80	0.49	0.68	1.07	0.81
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTURONIC ACID	ME104067	1.32	0.78	0.88	2.06	1.19	1.40	0.85	0.70	0.64	0.98	1.25	0.68	0.57	0.88	0.78
MALONATE	ME104094	1.16	1.19	1.06	2.59	1.60	1.29	1.25	0.57	0.52	0.50	1.08	0.81	0.66	0.34	0.60
METHYL BETA-D-GALACTOSIDE	ME104095	0.18	0.75	1.36	1.70	2.43	0.19	0.34	0.83	1.17	1.38	0.18	0.48	1.02	1.40	2.13
2,3-DIHYDROXYBENZOATE_1	ME104048	0.52	0.66	1.50	1.67	1.67	0.49	0.47	1.24	1.10	0.86	0.47	0.57	0.98	1.62	1.03
D-PANTOTHENIC ACID	ME104069	0.58	1.02	1.58	1.73	1.61	0.57	0.45	0.83	0.91	1.24	0.47	0.59	0.87	1.27	1.61
GLUTARATE	ME104075	0.91	1.01	2.07	1.77	1.41	0.84	0.47	0.60	0.62	0.76	0.74	0.56	0.84	1.17	1.61
CYS-GLY	ME104065	0.68	0.62	1.04	3.69	3.03	0.70	0.42	0.55	0.35	0.65	0.47	0.27	0.77	0.95	1.12
URATE	ME104110	0.60	1.90	3.38	1.46	0.82	0.19	0.27	0.97	0.89	0.40	0.22	0.62	1.79	1.14	0.62
GUANINE	ME104081	0.24	0.83	2.04	1.75	0.64	0.16	0.07	0.81	1.96	1.90	0.10	0.12	1.52	1.78	1.00
N-METHYL-L-GLUTAMATE	ME104099	0.02	0.82	3.02	2.61	0.60	0.02	0.12	0.65	1.03	1.35	0.02	0.29	1.20	1.72	2.19

Factors:

F1	Temperature:Both hot day and hot night \| Days after pollination:14
F2	Temperature:Both hot day and hot night \| Days after pollination:18
F3	Temperature:Both hot day and hot night \| Days after pollination:22
F4	Temperature:Both hot day and hot night \| Days after pollination:26
F5	Temperature:Both hot day and hot night \| Days after pollination:30
F6	Temperature:Control \| Days after pollination:14
F7	Temperature:Control \| Days after pollination:18
F8	Temperature:Control \| Days after pollination:22
F9	Temperature:Control \| Days after pollination:26
F10	Temperature:Control \| Days after pollination:30
F11	Temperature:Hot day \| Days after pollination:14
F12	Temperature:Hot day \| Days after pollination:18
F13	Temperature:Hot day \| Days after pollination:22
F14	Temperature:Hot day \| Days after pollination:26
F15	Temperature:Hot day \| Days after pollination:30

Data matrix