Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002383)

(Analysis AN003882)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13
PC_787.60187_4.715	ME563056	0.92	3.14	4.39	0.76	0.09	0.05	0.16	1.18	2.65	0.01	0.02	0.02	0.01
AMINOADIPATE	ME563115	0.51	0.76	0.14	0.15	0.07	2.80	1.22	1.62	1.53	0.22	0.15	3.02	3.25
2-DEOXY-D-GLUCOSE	ME563097	0.43	0.03	0.02	0.05	0.02	0.07	0.01	1.19	1.54	1.82	1.42	5.20	4.04
HEXITOL	ME563096	0.50	0.03	0.03	0.05	0.02	0.08	0.01	1.33	1.55	1.74	1.40	4.73	4.02
PC_733.55272_4.743	ME563059	0.63	0.02	0.02	0.91	0.61	1.09	0.59	0.02	0.12	2.15	1.32	4.28	3.07
ARABITOL or XYLITOL	ME563087	0.59	0.15	0.16	0.20	0.14	0.15	0.16	1.44	1.38	2.53	1.84	2.93	3.40
PC(O-32-1)	ME563067	0.71	0.25	0.26	0.80	0.62	0.67	0.36	0.53	1.30	1.75	1.96	2.76	2.49
OPHTHALMATE	ME563112	1.05	0.44	1.82	0.29	1.53	0.98	3.72	0.21	0.38	0.30	0.44	0.70	0.91
CYSTATHIONINE	ME563141	0.79	2.87	2.28	1.81	1.60	2.65	1.86	0.01	0.04	0.03	0.03	0.06	0.05
PHOSPHOCREATINE	ME563126	0.47	2.14	2.57	1.41	2.10	2.36	4.25	0.08	0.06	0.05	0.04	0.05	0.04
PIPECOLATE	ME563100	1.73	1.10	0.42	0.41	0.27	2.19	1.76	0.20	0.18	0.23	0.26	0.29	0.33
GLUTAMINE	ME563129	0.88	0.05	0.12	0.84	0.85	1.53	1.70	0.02	0.27	0.88	1.11	2.53	2.78
PYROGLUTAMATE or OXOPROLINE	ME563033	0.98	0.20	0.22	0.57	1.19	2.09	1.51	0.18	0.38	1.10	0.91	1.50	2.30
PC(32-0)	ME563069	0.64	0.63	0.77	1.96	1.95	1.72	1.51	0.19	0.36	1.64	1.32	0.97	1.11
PC_808.58105_4.645	ME563041	0.98	0.37	0.38	1.63	1.61	1.46	1.26	0.33	0.31	1.44	1.29	1.10	0.97
PC_809.59409_4.639	ME563039	0.96	0.37	0.38	1.63	1.59	1.47	1.28	0.33	0.32	1.46	1.30	1.10	0.98
PHOSPHORYLCHOLINE	ME563139	0.72	0.46	0.37	1.72	1.31	1.81	1.34	0.23	0.19	1.26	1.55	1.59	1.86
PC(30-0)	ME563071	0.79	0.09	0.15	2.01	1.63	1.94	1.32	0.05	0.11	1.59	1.16	1.74	1.49
PC(33-1)	ME563063	0.76	0.41	0.34	1.55	1.53	1.68	1.21	0.28	0.30	1.70	1.11	1.79	1.57
PC_718.53369_4.801	ME563070	0.74	0.27	0.35	1.75	1.80	1.60	1.28	0.16	0.26	1.85	1.38	1.45	1.41
ASPARTATE	ME563127	0.45	0.70	1.04	1.87	1.67	1.58	2.01	0.39	0.50	1.64	0.94	1.40	1.55
S-ADENOSYLMETHIONINE	ME563153	0.66	0.96	0.83	2.12	1.15	1.60	0.99	0.58	0.66	1.21	0.72	1.93	1.25
PC(34-1)	ME563061	0.65	0.68	0.62	1.67	1.35	2.13	1.38	0.64	0.59	1.45	1.01	1.33	1.27
PC_758.56518_4.746	ME563060	0.67	0.75	0.74	1.76	1.46	1.99	0.91	0.73	0.69	1.53	0.56	1.41	1.47
PC(32-1)	ME563064	0.79	0.13	0.20	1.42	1.10	1.66	1.09	0.13	0.21	1.79	1.20	2.35	2.01
1-AMINOCYCLOPROPANECARBOXYLATE	ME563122	0.67	0.91	0.96	1.12	0.98	1.16	1.14	0.52	0.72	1.51	1.08	2.21	1.65
GLUTAMATE	ME563121	0.69	0.68	0.86	1.27	1.21	1.32	1.08	0.50	0.75	1.66	1.16	2.03	1.35
CREATININE	ME563104	2.01	0.51	0.45	0.59	0.54	0.58	0.49	0.33	0.50	0.46	0.48	0.50	0.55
N-ACETYLHEXOSAMINE (peak 1)	ME563083	2.58	0.17	0.23	0.24	0.30	0.39	0.11	0.17	0.15	0.21	0.17	0.19	0.18
3-METHYL-L-HISTIDINE	ME563145	2.37	0.37	0.26	0.46	0.27	0.40	0.24	0.23	0.20	0.26	0.26	0.54	0.28
KYNURENINE	ME563084	2.23	0.48	0.30	0.53	0.37	0.48	0.36	0.33	0.39	0.41	0.29	0.36	0.30
CYSTINE	ME563138	1.92	0.67	0.24	0.33	0.41	0.38	0.49	1.06	1.00	0.64	0.48	0.23	0.56
LPC(18-0)	ME563086	1.85	0.52	0.96	0.07	0.10	0.18	0.13	1.01	1.16	0.65	1.18	0.26	0.71
PORPHOBILINOGEN	ME563108	1.17	0.78	0.63	1.29	1.85	1.11	0.45	0.39	0.92	0.86	0.72	0.92	1.08
L-ORNITHINE	ME563149	1.63	0.60	0.34	1.14	0.68	0.93	0.53	0.28	0.20	1.29	0.62	0.96	0.63
PC(34-2)	ME563058	1.67	0.27	0.25	1.01	0.95	1.15	0.83	0.23	0.23	0.77	0.50	0.96	0.81
PC(36-3)	ME563049	1.38	0.45	0.35	1.13	1.08	1.14	0.89	0.49	0.37	0.95	0.75	1.14	0.96
PC_782.56559_4.699	ME563054	1.41	0.42	0.24	1.13	1.11	1.14	0.85	0.45	0.40	0.95	0.76	1.11	0.95
XANTHINE	ME563037	1.69	1.06	0.92	0.49	1.00	0.57	0.37	0.58	0.95	0.43	0.27	0.56	0.63
N-METYL-ALANINE	ME563106	1.81	0.62	0.47	0.36	0.34	0.74	0.62	0.53	0.54	0.45	0.42	1.17	0.89
AMINOISOBUTANOATE	ME563113	1.70	0.51	0.55	0.71	0.62	0.60	0.53	1.02	0.65	0.60	0.84	0.65	0.54
BETAINE or 5-AMINOPENTANOATE	ME563111	1.50	0.89	0.70	0.54	0.49	0.61	0.48	1.06	0.86	0.80	0.72	1.03	0.83
CITRULLINE	ME563133	1.86	0.87	0.61	0.83	0.53	0.94	0.65	0.68	0.27	0.27	0.15	0.56	0.47
N-ACETYL-L-ORNITHINE	ME563120	1.30	0.95	0.74	1.22	0.73	1.18	0.65	0.64	0.64	0.91	0.61	1.12	0.81
1-METHYL-L-HISTIDINE	ME563143	1.54	0.98	0.65	0.92	0.64	0.86	0.60	0.61	0.52	0.79	0.62	0.89	0.68
ASYMMETRIC or SYMMETRIC DIMETHYLARGININE	ME563140	1.64	1.09	0.57	0.87	0.53	0.98	0.54	0.51	0.47	0.73	0.41	0.88	0.55
N,N,N-TRIMETHYLLYSINE	ME563151	1.68	0.98	0.49	0.71	0.46	0.87	0.52	0.73	0.51	0.75	0.44	0.85	0.60
PHENYLALANINE	ME563081	0.75	1.45	1.69	0.47	0.68	1.67	1.13	0.59	1.09	0.53	0.41	2.17	1.65
THREONINE or HOMOSERINE or ALLOTHREONINE	ME563125	0.80	1.41	1.52	0.46	0.48	1.09	0.71	0.69	1.14	0.50	0.44	3.03	1.72
HOMOCYSTEINE	ME563103	1.32	0.51	0.38	0.52	0.53	0.65	0.39	0.68	1.10	1.27	1.36	1.34	1.37
PC(O-34-1)	ME563065	0.63	0.74	0.76	1.31	1.05	0.97	0.63	1.08	1.80	1.35	1.34	1.65	1.56
NICOTINAMIDE	ME563034	0.68	1.32	1.76	1.07	1.75	1.18	1.41	0.93	0.88	0.70	0.82	0.97	1.14
NICOTINAMIDE ADENINE DINUCLEOTIDE OXIDIZED	ME563137	0.60	1.37	1.09	1.33	1.53	1.22	1.53	0.97	1.20	0.82	1.13	0.92	1.28
ADENOSINE MONOPHOSPHATE	ME563134	0.94	1.95	1.09	1.16	1.65	1.12	1.08	1.31	0.70	0.52	0.74	0.58	0.45
CREATINE	ME563107	0.75	1.81	1.52	1.35	1.32	1.60	1.44	0.86	0.82	0.65	0.59	0.85	0.71
GLUTATHIONE DISULFIDE (GSSG)	ME563136	0.87	1.57	1.29	0.60	0.94	1.11	1.12	0.97	1.16	0.73	1.46	0.53	1.30
PANTOTHENATE_peak1	ME563031	0.51	1.56	1.57	1.13	0.91	1.85	1.44	0.85	1.02	0.84	0.79	1.41	1.60
N-ACETYLASPARTATE	ME563035	0.63	1.88	1.24	0.87	1.11	1.46	1.28	1.17	1.11	0.97	0.80	0.97	1.35
N-ACETYLSERINE	ME563036	0.63	1.89	1.18	0.66	1.12	1.67	0.95	1.43	0.99	0.93	0.89	1.56	0.98
HISTIDINE	ME563144	1.18	1.29	1.06	0.72	0.63	1.22	0.87	0.80	0.72	0.69	0.53	1.29	1.09
SERINE	ME563131	0.84	1.22	1.08	0.70	0.79	1.12	0.98	0.95	1.08	0.89	0.97	1.68	1.46
CYSTEINE	ME563114	0.75	1.10	1.70	0.94	1.19	1.33	0.52	1.02	1.24	0.96	0.94	1.31	1.25
AMINOISOBUTYRATE	ME563109	0.94	1.30	1.35	1.60	1.14	1.06	0.64	0.69	0.97	0.86	0.84	1.08	0.83
PC(O-38-5)	ME563044	0.84	0.81	0.76	1.24	1.07	1.03	0.95	0.91	0.87	1.41	1.16	1.44	1.34
ACETYLCHOLINE	ME563089	0.98	1.16	0.99	1.06	0.85	1.26	0.94	0.97	1.03	0.89	0.82	1.12	1.04
GLUTATHIONE REDUCED	ME563116	0.73	1.03	0.96	1.44	1.24	1.30	0.80	0.81	0.98	1.18	1.33	1.31	1.25
SM(d34-1)	ME563080	0.87	1.00	0.91	1.26	1.20	1.19	0.98	0.96	0.97	1.10	1.04	1.16	1.01
CARNOSINE	ME563150	0.76	0.99	1.03	1.21	1.19	1.40	0.97	1.03	1.08	0.90	1.06	1.22	1.36
ALLANTOIN	ME563091	0.76	1.23	1.10	1.24	1.14	1.36	0.96	1.05	0.93	1.06	0.94	1.16	1.29
S-ADENOSYLHOMOCYSTEINE	ME563135	0.75	1.16	1.18	1.24	1.28	1.32	1.09	0.89	0.88	1.00	1.13	1.16	1.18
PC(36-4)	ME563052	1.27	1.15	1.21	1.21	1.07	1.29	0.89	1.06	0.11	0.63	0.45	0.71	0.57
N-ACETYLALANINE_peak1	ME563030	1.14	2.16	0.64	0.80	0.84	0.85	0.85	1.36	0.81	0.84	0.59	0.80	0.63
PROLINE	ME563110	1.00	1.68	1.25	0.99	0.72	1.13	0.79	1.46	1.16	1.00	0.54	0.81	0.47
L-ALANINE	ME563118	1.13	1.73	1.34	1.19	0.75	1.52	0.83	1.14	1.10	0.26	0.22	0.66	0.49
SARCOSINE	ME563117	0.98	1.81	1.56	1.23	0.83	1.41	0.83	1.11	1.23	0.37	0.32	0.85	0.59
SEROTONIN	ME563099	0.71	0.15	1.46	1.59	1.06	2.22	0.76	0.52	1.02	0.49	0.74	2.00	1.73
ISOLEUCINE	ME563085	0.92	0.81	0.83	0.88	0.80	1.84	1.21	0.61	0.66	0.79	0.66	1.82	1.55
LEUCINE	ME563082	1.01	0.80	0.84	0.84	0.77	1.80	1.22	0.59	0.62	0.74	0.61	1.65	1.43
METHIONINE	ME563094	1.00	0.83	0.78	0.89	0.74	1.86	1.19	0.65	0.62	0.68	0.53	1.77	1.42
3-(3,4-dihydroxyphenyl)propanoic acid (misannotated as [M+NH4])_6.659	ME563102	1.08	0.96	0.90	0.63	0.59	1.98	1.18	0.61	0.70	0.50	0.41	1.79	1.27
TYROSINE	ME563101	1.13	0.95	0.96	0.39	0.63	1.76	1.04	0.53	0.69	0.52	0.42	1.92	1.43
VALINE or NORVALINE	ME563095	1.16	0.93	0.99	0.57	0.54	1.51	0.97	0.60	0.72	0.51	0.42	1.94	1.38
LYSINE	ME563148	1.51	0.83	0.60	0.41	0.34	1.47	1.02	0.51	0.56	0.36	0.22	1.49	1.11
TRYPTOPHAN	ME563088	1.45	0.89	0.98	0.58	0.53	1.45	0.53	0.49	0.60	0.36	0.33	1.40	1.12
L-CARNITINE_6.587	ME563098	1.30	0.43	0.38	1.21	0.67	1.77	1.27	0.26	0.53	0.71	0.76	1.00	1.22
PC(38-6)	ME563042	1.18	0.15	0.17	1.05	0.81	1.54	1.47	0.26	0.29	1.20	1.56	1.11	1.32
PC_775.57292_4.752	ME563062	1.17	0.25	0.19	0.38	0.68	0.69	0.94	0.55	0.29	2.49	3.18	0.57	0.76
HIPPURATE	ME563029	1.76	0.14	0.09	1.36	0.97	0.16	0.18	0.25	0.26	2.51	1.16	0.09	0.26
CIS-TRANS-4-HYDROXY-D-L-PROLINE (peak 1)	ME563119	1.13	0.84	0.32	1.74	0.94	0.50	0.36	0.75	0.50	2.33	2.07	0.48	0.41
CIS-TRANS-4-HYDROXY-D-L-PROLINE (peak 2)	ME563123	1.07	0.78	0.45	2.12	1.06	0.61	0.49	0.93	0.60	1.98	1.72	0.38	0.49
ARGININE	ME563146	1.06	1.14	0.62	1.56	1.25	0.88	0.71	0.98	0.73	1.53	1.03	0.53	0.69
METHIONINE SULFOXIDE	ME563130	1.02	1.69	0.49	1.04	0.86	0.83	0.36	0.97	0.95	1.73	1.34	1.02	0.59
CITICOLINE	ME563152	0.65	3.44	2.01	1.75	0.44	0.94	0.30	2.45	1.49	0.42	0.16	0.60	0.11
ASPARAGINE	ME563132	0.91	2.03	1.43	1.02	0.96	0.23	0.18	1.88	1.73	1.39	1.37	0.19	0.16
CHOLINE	ME563105	0.74	2.42	2.31	0.57	0.57	0.95	0.64	2.27	0.89	1.04	0.50	0.87	0.50
PC(36-2)	ME563055	0.84	2.54	2.38	0.80	0.75	0.66	0.48	2.11	1.87	0.38	0.27	0.40	0.33
CDP-ETHANOLAMINE	ME563142	0.76	1.65	1.44	0.95	0.77	1.11	0.53	2.21	1.93	1.02	0.63	0.83	0.35
GLYCINE	ME563128	0.73	1.95	1.69	0.67	0.53	0.90	0.73	1.37	1.83	0.82	0.55	1.63	0.96
ADENINE	ME563090	0.82	0.96	4.52	0.63	1.27	0.74	0.80	0.63	0.84	0.58	0.68	0.68	0.74
XANTHOSINE	ME563077	0.62	2.45	2.69	1.08	0.76	1.86	1.00	0.91	0.69	0.25	0.33	1.07	1.21
TAURINE	ME563124	0.66	1.91	2.34	2.02	2.05	1.22	1.11	0.63	0.65	0.60	0.47	0.70	0.37
PUTRESCINE	ME563154	1.08	2.16	1.94	1.48	1.87	0.93	0.67	0.42	0.71	0.22	0.51	0.27	0.31
AcCa(2-0)	ME563075	1.07	2.09	2.24	0.90	1.46	0.73	0.82	0.67	1.07	0.25	0.27	0.58	0.49
Acetyl-L-carnitine (misannotated as [2M+ACN+H])_4.906	ME563074	1.05	2.08	2.23	0.90	1.45	0.73	0.83	0.86	1.06	0.25	0.27	0.57	0.48
INOSINE	ME563076	0.67	1.10	2.38	1.27	2.81	0.45	0.61	1.55	1.80	0.08	0.29	0.85	0.78
ADENOSINE (logical inference by abundance)	ME563078	0.85	1.21	2.90	1.45	3.15	0.70	1.06	0.81	0.44	0.07	0.17	0.76	0.20
5^-DEOXYADENOSINE	ME563045	0.56	1.96	3.26	2.14	2.63	0.90	1.45	0.89	0.53	0.21	0.29	0.19	0.21
GUANINE but RT is a little off	ME563092	0.71	1.77	2.74	2.25	3.04	1.05	1.01	0.96	0.27	0.04	0.10	0.44	0.07
GUANOSINE	ME563093	0.70	1.66	2.73	2.25	3.04	1.12	1.00	1.00	0.26	0.02	0.08	0.49	0.13
BIOTIN_peak1	ME563032	0.65	1.31	0.85	3.26	2.11	0.11	0.11	1.42	1.28	1.76	1.67	0.11	0.13
Thiamine_12.248	ME563147	0.67	1.04	1.40	3.40	3.91	1.33	1.40	0.43	0.08	0.08	0.08	0.53	0.30

Factors:

F1	Cell Type:n/a \| Media:n/a \| Treatment:n/a
F2	Cell Type:RCH-AcV \| Media:ACM \| Treatment:MTX
F3	Cell Type:RCH-AcV \| Media:ACM \| Treatment:n/a
F4	Cell Type:RCH-AcV \| Media:RPMI \| Treatment:MTX
F5	Cell Type:RCH-AcV \| Media:RPMI \| Treatment:n/a
F6	Cell Type:RCH-AcV \| Media:SCM \| Treatment:MTX
F7	Cell Type:RCH-AcV \| Media:SCM \| Treatment:n/a
F8	Cell Type:REH \| Media:ACM \| Treatment:MTX
F9	Cell Type:REH \| Media:ACM \| Treatment:n/a
F10	Cell Type:REH \| Media:RPMI \| Treatment:MTX
F11	Cell Type:REH \| Media:RPMI \| Treatment:n/a
F12	Cell Type:REH \| Media:SCM \| Treatment:MTX
F13	Cell Type:REH \| Media:SCM \| Treatment:n/a

Data matrix