Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002399)

(Analysis AN003906)

Metabolite	Structure	F1	F2	F3	F4
DEOXYCYTIDINE_2	ME566059	2.71	0.38	0.22	4.73
GLUTATHIONE DISULFIDE (GSSG)	ME566094	1.76	0.15	0.56	3.83
3-HYDROXYANTHRANILATE_peak1	ME566084	4.34	0.23	0.70	0.29
ASPARTATE	ME566031	4.56	0.03	0.74	0.03
BIOTIN_peak2	ME566010	2.47	0.02	1.08	0.03
INDOLE-3-ETHANOL	ME566056	3.23	0.03	0.74	1.37
INDOLEACETALDEHYDE	ME566074	3.11	0.05	0.69	1.76
ASPARAGINE	ME566005	3.39	0.02	0.89	0.25
N-Methyl-2-pyrrolidone_2.044	ME566032	3.85	0.34	0.75	0.34
N-ACETYLASPARAGINE	ME566097	3.34	0.35	0.72	1.02
GLUTAMATE	ME565955	3.13	0.63	0.81	0.41
PROLINE	ME565939	3.03	0.21	0.86	0.64
HYPOXANTHINE_1	ME565964	2.53	2.60	0.59	0.41
PYROGLUTAMATE or OXOPROLINE	ME565932	0.24	2.06	0.73	2.35
GLUTAMINE	ME565958	0.22	2.55	0.67	2.29
LACTOSE_7.126	ME566091	0.35	2.40	0.63	2.58
METHYL 4-AMINOBUTYRATE	ME565977	0.29	2.33	0.65	2.52
6-Methoxyquinoline_7.13	ME565982	1.52	3.07	0.49	1.55
4-GUANIDINOBUTANOATE	ME566014	0.99	3.14	0.38	2.70
PC(34-1)	ME566021	1.56	2.95	0.38	2.36
6-Methylnicotinamide_7.666	ME565994	1.11	0.00	0.85	2.78
N-ACETYLLEUCINE	ME566088	0.74	0.52	0.90	2.37
2-Amino-3-methoxybenzoic acid_6.118	ME566025	0.78	0.25	0.90	2.61
Maltol (peak 1)_3.357	ME566016	0.62	0.10	0.93	2.70
5-HYDROXYINDOLEACETATE	ME566069	1.65	0.79	0.62	2.91
1-METHYLADENOSINE_peak2	ME566073	2.09	0.66	0.68	2.21
Maltol (peak 2)_3.696	ME566008	2.19	0.05	0.75	2.31
PC(36-4)_2	ME565968	1.13	0.87	1.11	0.32
LPC(16-1)	ME565966	1.32	1.07	0.98	0.73
O-ACETYLCARNITINE	ME565950	1.08	1.05	1.00	0.86
GLYCOCHENODEOXYCHOLATE	ME566030	1.26	0.70	1.01	0.95
AMINOISOBUTANOATE or GAMMA-AMINOBUTYRATE	ME566037	1.30	0.91	0.95	1.07
GLYCOCHOLATE	ME566060	1.29	1.03	0.95	1.00
URACIL	ME565976	1.17	0.26	1.12	0.82
LPC(16-0)	ME565936	1.00	0.61	1.13	0.61
PIPECOLATE	ME565981	0.87	0.75	1.11	0.71
URATE	ME565960	1.09	0.48	1.06	1.06
CIS-TRANS-4-HYDROXY-D-L-PROLINE	ME565956	0.90	0.60	1.09	0.97
L-CARNITINE	ME565942	1.03	0.73	1.05	0.95
GUANINE	ME565993	1.20	0.03	1.24	0.25
PC(34-2)	ME565962	1.58	0.24	1.16	0.16
GUANOSINE	ME566075	1.72	0.06	1.03	1.05
CYTIDINE_8.261	ME566041	2.17	0.83	0.92	0.52
Leucylproline_5.796	ME565995	1.44	0.68	1.04	0.66
4-ACETAMIDOBUTANOATE_peak2	ME566080	1.91	0.44	1.01	0.60
PC(36-4)_1	ME565967	1.65	0.48	1.04	0.61
4-AMINOBENZOATE	ME565971	0.00	0.01	1.48	0.01
N-ACETYLPUTRESCINE	ME566042	0.02	0.03	1.47	0.05
NP-013538_3.359	ME566015	0.02	0.04	1.47	0.04
Acadesine_5.615	ME566011	0.15	0.22	1.39	0.22
DEOXYGUANOSINE or ADENOSIDE	ME566027	0.19	0.08	1.36	0.48
ADENINE	ME566020	0.62	0.36	1.30	0.15
LPC(18-2)	ME565947	0.57	0.15	1.36	0.05
INOSINE	ME566093	0.91	0.40	1.22	0.30
5^-DEOXYADENOSINE	ME566092	0.51	0.49	1.22	0.63
4-QUINOLINECARBOXYLATE	ME566040	0.66	0.26	1.25	0.52
5-AMINOLEVULINATE	ME566009	0.75	0.37	1.20	0.61
UREIDOPROPIONATE	ME566043	0.69	0.45	1.22	0.49
3-METHYLADENINE	ME566061	0.07	0.24	1.31	0.74
NICOTINIC ACID	ME565969	0.01	0.04	1.30	1.09
BILIVERDIN	ME566071	0.20	0.43	1.20	1.16
1-Methylguanine_5.197	ME566049	0.51	0.03	1.20	1.23
N-ACETYLMETHIONINE	ME566083	0.49	0.18	1.19	1.17
N-ACETYLASPARTATE	ME566089	0.36	0.79	1.16	0.85
LUMICHROME	ME566077	0.62	1.05	1.03	1.17
INDOLE-3-ACETATE	ME566006	0.38	0.96	1.00	1.64
Penicillin G_1.607	ME565990	0.28	1.00	1.06	1.38
PHOSPHORYLCHOLINE	ME566078	0.43	0.50	1.02	1.92
1-Methylguanine_6.117	ME566036	0.98	0.51	1.01	1.42
THYMINE	ME566046	0.96	0.28	1.02	1.64
PYRIDOXINE	ME565954	0.85	1.79	0.89	1.05
4-Methyl-5-thiazoleethanol_2.105	ME566050	0.92	1.59	0.71	2.26
RIBOFLAVIN	ME565991	0.72	1.59	0.77	2.14
Norepinephrine_7.54	ME565957	0.74	1.98	0.64	2.53
FOLATE	ME566001	0.73	2.04	0.69	2.16
N-ALPHA-ACETYLLYSINE	ME566070	0.65	2.15	0.70	2.10
PANTOTHENATE_peak1	ME565951	1.01	2.01	0.66	2.12
Thiamine	ME565965	0.88	2.03	0.66	2.21
4-Methyl-5-thiazoleethanol_13.136	ME566018	0.88	1.94	0.68	2.14
NICOTINAMIDE	ME565938	0.93	1.86	0.69	2.13
1-AMINOCYCLOPROPANECARBOXYLATE_1	ME565985	1.59	1.82	0.64	1.85
Oxepanone_5.893	ME566085	1.31	1.83	0.71	1.65
PC(38-6)	ME565974	1.38	1.88	0.69	1.65
Quinoline_6.008	ME566024	1.40	1.95	0.67	1.68
CYSTINE	ME565945	1.25	1.93	0.68	1.80
LEUCINE	ME565933	1.25	1.98	0.69	1.68
Acetophenone_7.027	ME565998	1.11	1.80	0.71	1.89
N-Benzylformamide_7.026	ME565941	1.11	1.82	0.70	1.90
TYROSINE	ME565935	1.12	1.83	0.70	1.91
LYSINE	ME565940	1.20	2.00	0.64	2.03
METHIONINE (misannotated as M+NH4)	ME565953	1.25	1.93	0.65	1.97
THREONINE or HOMOSERINE (summed two peaks)	ME565973	1.32	1.95	0.63	2.03
CHOLINE	ME565944	1.37	2.05	0.63	1.88
1-AMINOCYCLOPROPANECARBOXYLATE_2	ME565987	1.49	1.89	0.63	1.93
TRYPTOPHAN	ME565948	1.39	1.88	0.65	1.92
VALINE or NORVALINE	ME565937	1.32	1.86	0.67	1.89
ISOLEUCINE	ME565931	1.24	2.27	0.62	1.81
SERINE	ME565999	1.15	2.65	0.58	1.81
ERYTHRITOL or THREITOL	ME566095	1.97	1.28	0.71	1.52
4-ACETAMIDOBUTANOATE_peak1	ME566028	1.78	1.41	0.73	1.50
Methylimidazoleacetic acid_6.411	ME566026	1.81	1.33	0.74	1.47
CREATINE	ME565959	1.92	1.43	0.72	1.38
4-(allyloxy)-1,2-dihydroquinolin-2-one_2.846	ME566067	1.88	1.35	0.74	1.36
KYNURENATE	ME566062	1.83	1.40	0.74	1.38
1-Vinylimidazole_12.472	ME566038	1.60	1.42	0.78	1.31
AcCa(4-0)	ME565989	1.53	1.56	0.75	1.43
CYSTATHIONINE	ME566063	1.54	1.60	0.74	1.48
ARGININE	ME565934	1.60	1.51	0.75	1.45
N^2-acetylpyridine-2-carbohydrazide_5.559	ME566047	1.64	1.52	0.75	1.39
AMINOADIPATE	ME566066	1.63	1.57	0.72	1.57
1-Vinylimidazole_12.084	ME566035	1.56	1.62	0.71	1.60
HISTIDINE	ME565943	1.59	1.65	0.70	1.60
2-DEOXY-D-GLUCOSE	ME566034	1.58	1.63	0.69	1.73
CARNOSINE	ME566033	1.52	1.60	0.71	1.66
HEXITOL	ME566003	1.56	1.53	0.72	1.67
ALLANTOIN	ME566013	1.77	1.57	0.68	1.62
1-METHYL-L-HISTIDINE	ME565983	1.63	1.44	0.74	1.57
DL-Stachydrine_6.358	ME566045	1.69	1.45	0.73	1.55
METHIONINE SULFONE	ME566072	1.68	1.48	0.72	1.60
CREATININE	ME565949	1.71	1.48	0.70	1.66
Phenylacetylglycine_1.774	ME565984	1.70	1.46	0.69	1.75
L-ORNITHINE	ME565963	0.95	0.83	0.93	1.65
CYTOSINE_peak1_2	ME566064	1.20	0.99	0.88	1.57
N-ACETYLSERINE	ME566081	1.16	0.88	0.94	1.36
N-METYL-ALANINE or 2-AMINOISOBUTYRATE	ME566012	1.10	1.29	0.83	1.64
N-ACETYLHEXOSAMINE_peak1	ME566076	1.48	1.24	0.79	1.58
ASYMMETRIC or SYMMETRIC DIMETHYLARGININE	ME565979	1.34	1.47	0.77	1.62
N-ACETYLPROLINE_peak1	ME566096	1.31	1.43	0.82	1.38
HOMOCYSTINE	ME566048	1.59	0.93	0.83	1.53
HYPOXANTHINE_2	ME566007	1.73	1.00	0.81	1.46
ACETYLCHOLINE	ME566004	1.35	1.07	0.89	1.27
CITRULLINE	ME566051	1.26	1.17	0.91	1.15
3-METHYL-L-HISTIDINE	ME565988	1.37	1.22	0.86	1.29
HIPPURATE	ME565978	1.29	1.21	0.88	1.24
BETAINE or 5-AMINOPENTANOATE	ME565946	1.60	1.00	0.86	1.29
N,N,N-TRIMETHYLLYSINE	ME566000	1.57	1.14	0.82	1.39
KYNURENINE	ME566023	1.46	1.13	0.86	1.30
N-ACETYLPROLINE_peak2	ME566090	1.52	1.14	0.85	1.26
N-ACETYL-L-ORNITHINE	ME566002	2.24	1.08	0.68	1.66
CYSTEINE	ME566087	2.00	1.28	0.62	2.07
DEOXYCYTIDINE_1	ME566022	1.86	1.27	0.65	2.01
N-ACETYLTRYPTOPHAN_peak1	ME566079	1.45	0.75	0.78	2.15
L-ALANINE	ME565975	1.81	0.53	0.85	1.59
N-ACETYLPHENYLALANINE	ME566082	1.75	0.73	0.81	1.72
PC(40-6)	ME566039	2.71	1.54	0.54	1.59
CYTOSINE_peak1_1	ME566019	3.37	1.44	0.56	0.90
LPC(18-1)	ME565961	3.19	1.33	0.56	1.22
URIDINE	ME566068	3.39	1.54	0.46	1.39
PC(36-2)	ME565992	2.84	0.98	0.75	0.73
PC_834.59638_4.413	ME566054	2.17	1.40	0.71	1.20
TAURINE	ME566029	2.30	1.29	0.79	0.72
GUANIDINOSUCCINATE	ME566086	2.20	1.10	0.79	1.00
PC(38-4)	ME565997	2.19	1.14	0.78	1.02
LPC(18-0)	ME565952	2.41	1.08	0.75	1.04
N-Benzylformamide_1.719	ME566058	2.53	0.96	0.76	0.99
XANTHINE	ME565972	2.20	1.70	0.79	0.40
Acetohydroxamic acid_1.775	ME565980	1.72	2.17	0.71	0.90
AcCa(3-0)	ME565986	1.80	1.69	0.76	1.02
AcCa(5-0)	ME566017	1.72	1.48	0.84	0.77

Factors:

F1	Media:ACM
F2	Media:DMEM
F3	Media:n/a
F4	Media:SCM

Data matrix