Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002459)

HILIC POSITIVE ION MODE (Analysis AN004013)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7
Glucose	ME581895	5.86	4.15	11.61	1.55	0.18	0.18	0.17
3-hydroxyfluorene	ME581776	1.94	0.78	0.77	0.39	0.81	1.84	0.49
3-(2-Hydroxyphenyl)Propanoic acid	ME581773	1.54	0.68	0.80	0.86	1.09	0.99	0.98
3-Phenoxybenzoic acid	ME581792	1.89	1.15	1.01	0.90	0.96	1.26	0.78
1-Methyluric acid	ME581840	1.23	2.11	1.78	1.02	0.85	1.12	0.90
Serotonin	ME581945	1.69	2.16	0.79	1.23	0.89	0.98	1.01
10-Hydroxydecanoic acid	ME581780	1.34	1.58	0.94	1.29	1.11	0.94	0.81
2-Aminophenol	ME581861	1.08	1.36	1.23	0.86	1.12	0.73	1.18
4-Imidazoleacetic acid	ME581928	1.26	1.87	3.16	1.20	1.21	0.52	1.09
Urocanic acid	ME581884	1.77	2.53	2.97	0.59	1.89	0.62	0.48
N-Acetylaspartic acid	ME581830	2.85	3.50	2.36	1.35	0.76	0.70	1.20
Nicotinic acid	ME581808	2.10	2.25	1.92	1.34	0.83	0.64	1.25
Putrescine	ME581997	2.35	2.47	1.94	0.93	0.91	1.04	0.94
Cystine	ME581976	NA	NA	NA	0.21	0.03	2.99	0.04
3-Hydroxyanthranilic acid	ME581805	NA	NA	NA	2.21	1.43	0.25	2.22
AICAR	ME581914	NA	NA	NA	0.27	1.22	0.58	1.32
4-Guanidinobutanoic acid	ME581912	0.32	0.67	0.47	NA	1.34	0.63	0.87
7-Methylguanine	ME581892	0.28	0.33	0.90	0.64	1.03	1.01	1.10
N-Acetylneuraminic acid	ME581873	0.48	0.33	0.61	0.76	1.48	0.45	1.21
Indole-3-Acetic acid	ME581790	0.23	NA	NA	0.35	2.30	1.07	0.62
2-hydroxychrysene	ME581791	NA	NA	NA	0.83	2.51	0.13	0.34
Melatonin	ME581784	NA	NA	NA	0.58	2.04	0.15	0.42
Mono (5-carboxy-2-ethylpentyl) phthalate (DEHP)	ME581766	NA	NA	NA	0.68	2.24	0.43	0.45
AMP	ME581933	0.01	0.03	0.02	1.08	2.13	0.11	0.85
Deoxyguanosine-Monophosphate	ME581934	0.01	0.03	0.02	1.12	2.11	0.10	0.86
Guanine	ME581903	0.18	0.20	0.14	0.94	1.73	0.15	0.57
Lumichrome	ME581783	NA	NA	NA	0.84	1.82	0.30	0.71
4-Aminobenzoic acid / Anthranilic acid / Methylpicolinate	ME581782	NA	NA	NA	1.08	1.62	0.35	0.98
N-Acetylmethionine	ME581794	NA	NA	NA	0.81	1.65	0.22	0.98
N-Acetylcysteine	ME581807	NA	NA	NA	0.63	1.24	0.19	0.27
2-Quinolinecarboxylic acid	ME581793	NA	NA	NA	0.65	1.49	0.11	0.87
Inosine Monophosphate	ME581886	NA	NA	NA	0.54	1.28	0.08	0.93
Lactose	ME581919	0.13	1.33	0.40	1.16	0.91	1.12	0.94
Sucrose / Trehalose	ME581915	0.18	1.17	0.33	1.03	1.32	0.73	0.98
Trans-3-hydroxycotinine	ME581887	NA	NA	NA	0.23	1.07	1.77	1.15
4-Hydroxybenzophenone	ME581789	NA	NA	NA	0.04	0.62	1.93	0.68
Cotinine	ME581858	NA	NA	NA	0.29	0.87	2.39	0.96
Riboflavin	ME581832	NA	NA	NA	0.70	0.52	1.46	0.62
N-Acetylproline	ME581802	NA	NA	NA	1.01	0.80	1.61	0.59
4-Acetamidobutanoic acid	ME581806	NA	NA	NA	0.87	0.57	2.00	0.46
Cortisol	ME581785	NA	NA	NA	0.70	0.59	1.90	0.61
Glucuronolactone	ME581837	NA	NA	NA	0.79	0.69	1.82	0.56
N-Acety-L-Leucine	ME581787	NA	NA	NA	0.85	0.73	1.70	0.63
Taurodeoxycholic acid	ME581827	NA	NA	NA	0.94	0.46	1.74	0.62
Lauroylcarnitine	ME581815	NA	NA	NA	0.92	0.58	1.55	0.90
Tryptophan	ME581871	0.01	0.01	0.02	0.70	0.66	1.72	0.84
Caffeine	ME581786	NA	NA	NA	0.88	0.57	1.70	0.75
Theobromine /Theophylline/ Paraxanthine	ME581800	NA	0.01	0.00	0.83	0.57	1.73	0.83
2-Aminothiazoline-4-carboxylic acid	ME581924	NA	NA	NA	1.15	0.33	2.35	0.27
Hydroxykynurenine	ME581899	NA	NA	NA	0.84	0.19	1.87	0.25
4-Pyridoxic acid	ME581828	NA	NA	NA	0.58	0.29	2.22	0.32
Xanthurenic acid	ME581829	NA	NA	NA	0.51	0.21	2.03	0.31
Homocysteine	ME581897	0.42	0.41	0.41	1.60	0.73	1.40	0.70
1-Linoleoylglycerol	ME581769	0.62	0.46	0.43	1.02	0.90	1.31	0.84
Oleamide	ME581772	0.66	0.66	0.53	0.98	0.68	1.35	1.01
Guanosine	ME581872	0.21	0.13	0.14	0.72	1.48	0.77	0.87
Acetaminophen	ME581799	NA	NA	NA	0.59	1.37	1.05	0.95
Isoleucine	ME581870	0.05	0.03	0.09	0.70	1.36	0.93	0.93
Didecanoyl-Glycerophosphocholine	ME581852	NA	NA	NA	0.47	0.64	1.28	1.27
N-Acetylphenylalanine	ME581788	NA	NA	NA	0.41	0.91	1.41	0.69
Allothreonine/L-Threonine/ Homoserine	ME581949	0.12	0.12	0.19	0.89	0.93	1.20	1.01
Methionine	ME581881	0.01	0.01	0.02	0.72	0.87	1.45	0.89
N-Acetylglutamic acid	ME581825	NA	NA	NA	0.92	0.93	1.15	0.89
Thioetheramide-PC	ME581845	0.00	0.02	0.00	0.95	0.83	1.37	0.93
2-Hydroxypyridine	ME581812	NA	NA	NA	0.68	0.88	1.00	1.24
Histidinol	ME581995	NA	NA	NA	0.75	1.00	1.06	1.03
Heptyl paraben	ME581774	NA	NA	NA	0.68	0.99	1.16	0.87
Nicotinamide Mononucleotide	ME581950	NA	NA	NA	0.59	1.00	1.17	0.97
Cortisone	ME581777	NA	NA	NA	1.71	0.72	1.20	0.44
Palmitoyl-EA	ME581778	NA	NA	NA	1.59	0.87	1.43	0.49
Uric acid	ME581859	0.00	0.00	0.01	1.60	0.77	1.44	0.66
Asymmetrical dimethylarginine	ME581982	NA	NA	NA	1.89	0.62	1.13	0.93
Lysine	ME581988	0.02	0.03	0.03	1.93	0.66	1.25	0.87
Arginine	ME581986	0.03	0.04	0.04	1.96	0.48	1.55	0.74
trans-4-hrdroxy-L-proline	ME581925	0.00	0.01	0.01	1.94	0.72	1.51	0.52
Sebacic acid	ME581779	0.25	0.64	0.22	1.21	0.82	1.04	1.13
Serine	ME581966	0.17	0.21	0.29	1.44	0.84	1.07	1.02
Aminocaproic acid	ME581906	0.11	0.39	0.16	1.39	0.73	1.22	1.00
Uridine	ME581835	0.12	0.45	0.15	1.23	0.78	1.27	0.95
N-Acetyltryptophan	ME581803	NA	NA	NA	1.07	0.71	1.31	0.80
Cystathionine	ME581978	NA	NA	NA	1.17	0.74	1.16	0.99
Mevalolactone	ME581775	NA	NA	NA	1.12	0.73	1.17	1.05
Octopamine	ME581965	NA	NA	NA	1.19	0.67	1.30	0.96
1-Methylnicotinamide	ME581955	NA	NA	NA	1.14	0.72	1.32	0.91
Eicosapentaenoyl PAF C-16	ME581843	NA	0.04	NA	1.13	0.74	1.28	0.97
2-Aminoisobutyric acid / Gamma-aminobutyric acid	ME581920	NA	NA	NA	1.43	0.73	1.18	0.94
Hydroxybenzaldehyde	ME581908	NA	NA	NA	1.34	0.71	1.20	0.96
4-Hydroxy-4-(3-pyridyl) butanoic acid	ME581907	0.01	0.01	0.03	1.38	0.74	1.25	0.99
Tyrosine	ME581911	0.01	0.01	0.02	1.38	0.74	1.25	0.99
Proline	ME581898	0.01	0.02	0.02	1.31	0.81	1.17	1.01
Sorbic acid	ME581909	NA	NA	NA	1.26	0.72	1.11	0.97
Xanthine	ME581833	0.03	0.04	0.06	1.24	0.77	1.40	0.85
Guanidinosuccinic acid	ME581963	NA	0.05	0.11	1.27	0.67	1.31	0.95
Phenylglycine	ME581888	NA	NA	NA	1.27	0.64	1.34	0.89
Pro-Gly	ME581957	NA	NA	NA	1.33	0.65	1.30	0.94
Phenylalanine	ME581865	0.02	0.02	0.04	1.18	0.85	1.16	1.00
Hypoxanthine	ME581838	0.00	0.00	0.00	1.23	0.92	1.13	0.98
N-Formyl-L-Methionine	ME581798	NA	NA	NA	1.22	0.90	1.08	0.91
Succinic acid	ME581839	NA	NA	NA	1.17	0.87	1.11	0.95
Arachidonoyl PAF C-16	ME581844	NA	0.04	NA	1.09	0.93	1.07	1.00
N-Acetylglycine	ME581813	NA	NA	NA	1.03	0.84	1.12	0.94
2-Deoxyinosine	ME581836	NA	NA	NA	1.34	0.88	1.21	0.79
Glutamine	ME581954	0.01	0.02	0.01	1.39	0.86	1.26	0.85
N-Acetylasparagine	ME581834	NA	NA	NA	1.32	1.04	1.03	0.82
Pantothenic acid	ME581809	NA	NA	NA	1.36	1.01	1.07	0.80
5-Hydroxytryptophan	ME581944	NA	NA	NA	1.32	0.80	0.95	0.85
Glutarylcarnitine	ME581862	NA	NA	NA	1.32	0.92	1.00	0.95
Dopa	ME581947	NA	NA	NA	1.51	0.60	1.06	1.11
N-Alpha-Acetyllysine	ME581956	NA	NA	NA	1.29	0.62	1.05	1.18
Citric acid	ME581841	NA	NA	NA	1.39	0.77	0.97	1.09
Dimethylglycine	ME581916	NA	NA	NA	1.28	0.80	0.98	1.13
Carnitine	ME581923	NA	NA	NA	1.43	0.72	1.07	1.06
Normetanephrine	ME581948	NA	NA	NA	1.40	0.81	1.02	0.98
Glycine	ME581959	0.06	0.09	0.13	1.56	0.78	1.14	0.99
Ornithine	ME581987	0.05	0.07	0.10	1.71	0.81	1.13	0.92
N-Acetylserine	ME581826	NA	NA	NA	1.52	0.75	1.09	0.97
O-Succinyl-Homoserine	ME581913	NA	NA	NA	1.54	0.74	1.11	0.96
Aminoadipic acid	ME581927	NA	NA	NA	1.56	0.60	1.21	0.99
1-Methyl-L-Histidine	ME581984	0.01	0.02	0.01	1.58	0.69	1.19	1.03
Alanine	ME581935	0.00	0.00	0.01	1.54	0.66	1.19	1.04
Sarcosine	ME581936	NA	NA	0.01	1.54	0.65	1.18	1.02
Citrulline	ME581970	0.04	0.05	0.05	1.58	0.72	1.16	1.02
Histidine	ME581983	0.03	0.04	0.04	1.64	0.71	1.21	0.96
5-Hydroxylysine	ME581989	NA	NA	NA	1.55	0.69	1.22	0.83
1-Methyladenosine	ME581953	NA	NA	NA	1.54	0.62	1.28	0.91
Pipecolic acid	ME581893	0.02	0.02	0.05	1.59	0.63	1.29	0.95
Trigonelline	ME581889	0.02	0.03	0.04	1.53	0.64	1.34	0.94
Guanidinoacetic acid	ME581964	0.01	0.02	0.01	1.44	0.65	1.31	1.00
N-Acetylputrescine	ME581961	NA	NA	NA	1.44	0.66	1.28	0.91
Homocysteine Thiolactone	ME581943	NA	NA	NA	1.04	0.48	1.28	0.82
N-Acetyl-S-(4-hydroxy-2-buten-1-yl)-L-cysteine / N-Acetyl-S-(2-hydroxy-3-butenyl)-L-cysteine	ME581797	NA	NA	NA	0.98	0.22	1.40	0.66
Trimethylamine-N-oxide	ME581885	NA	NA	NA	1.66	0.51	1.44	0.81
Dihydrobiopterin	ME581878	NA	NA	NA	1.36	0.53	1.39	1.11
Biliverdin	ME581811	NA	NA	NA	1.38	0.53	1.48	0.86
Beta-alanine methyl ester	ME581902	NA	NA	NA	1.50	0.46	1.46	0.91
Creatinine	ME581929	0.00	0.00	0.00	1.47	0.56	1.40	0.99
Docosahexaenoyl PAF C-16	ME581842	0.03	0.07	0.03	1.16	0.64	1.46	0.95
Mono-n-butylphthalate (BzBP, DnBP)	ME581781	NA	NA	NA	1.10	0.55	1.44	0.75
N-Acetylalanine	ME581804	NA	NA	NA	1.17	0.61	1.50	0.83
Glycocholic acid	ME581820	NA	NA	NA	1.16	0.47	1.69	0.70
Hippuric acid	ME581796	NA	NA	NA	1.15	0.57	1.60	0.72
Kynurenic acid	ME581821	NA	NA	NA	1.22	0.61	1.59	0.73
Kynurenine	ME581867	NA	NA	NA	1.11	0.38	1.68	0.91
Octanoylcarnitine	ME581819	0.00	NA	0.02	1.11	0.53	1.61	0.88
Cysteine	ME581918	NA	NA	NA	1.33	0.68	1.45	0.66
Inosine	ME581847	0.00	0.00	NA	1.44	0.52	1.63	0.75
Glycochenodeoxycholic acid	ME581801	0.11	0.06	0.24	1.35	0.46	1.76	0.75
Phenylacetylglutamine	ME581816	NA	NA	NA	1.20	0.55	1.83	0.55
Hypotaurine	ME581922	NA	NA	NA	1.34	1.27	0.89	0.72
O-Acetylcarnitine	ME581848	NA	NA	NA	1.46	1.15	1.05	0.64
Glucosamine	ME581980	NA	NA	NA	1.48	0.84	0.71	1.28
Choline	ME581931	0.01	0.02	0.01	1.41	0.98	0.73	1.26
Trimethylamine	ME581930	NA	NA	NA	1.35	0.96	0.70	1.22
Oxoproline	ME581817	NA	NA	NA	1.46	0.94	0.79	1.10
Pyroglutamic acid	ME581818	NA	NA	NA	1.47	0.94	0.79	1.10
3-Nitro-L-Tyrosine	ME581855	NA	NA	NA	1.31	0.90	0.84	1.12
Asparagine	ME581960	0.02	0.03	0.04	1.38	0.91	0.93	1.14
LysoPC(16:0)	ME581856	0.00	0.00	0.00	1.00	0.78	1.18	1.16
PAF C-16	ME581854	NA	NA	NA	1.01	0.77	1.02	1.21
Anserine	ME581991	NA	NA	NA	1.09	1.01	0.87	1.09
Leucine/Norleucine	ME581868	0.06	0.05	0.08	1.08	0.98	0.98	1.11
Cholesterol	ME581768	NA	NA	NA	0.87	1.08	0.91	1.06
Dihydrouracil	ME581810	NA	NA	NA	0.85	1.08	0.88	1.09
Betaine/L-Valine/Norvaline	ME581890	NA	NA	NA	0.95	1.04	0.98	1.00
Methyl 4-Aminobutyric acid	ME581883	NA	NA	NA	1.01	1.02	1.00	0.99
Dodecanedioic acid	ME581771	NA	NA	NA	1.07	1.19	0.73	1.08
1-Oleoyl Lysophosphatidic acid	ME581824	NA	NA	NA	1.14	0.95	0.71	1.29
Biopterin	ME581869	NA	NA	NA	1.10	0.95	0.72	1.21
3-Sulfinoalanine	ME581891	NA	NA	NA	1.19	1.01	0.77	1.16
Xanthosine	ME581849	NA	NA	NA	1.24	1.09	0.79	1.06
Glutathione Reduced	ME581921	NA	NA	NA	1.87	1.71	0.03	0.89
Adenosine	ME581879	0.40	0.39	0.54	1.59	1.31	0.44	1.09
Phosphorylcholine	ME581974	0.08	0.29	0.10	1.34	1.00	0.12	1.72
4-Hydroxy-L-Phenylglycine	ME581946	NA	NA	NA	0.89	0.85	0.73	1.40
PAF C-18 / Butanoyl-PAF	ME581851	NA	NA	NA	1.08	0.75	0.76	1.47
1-Aminocyclopropanecarboxylic acid	ME581937	0.02	0.04	0.04	0.86	0.93	0.52	1.70
S-Adenosylhomocysteine	ME581977	NA	NA	NA	1.02	0.87	0.24	1.32
Cysteic acid	ME581896	0.10	0.11	0.13	1.21	0.83	0.33	1.56
Allantoin	ME581863	NA	NA	NA	1.10	0.90	0.43	1.64
2-O-ethyl PAF C-16	ME581857	NA	NA	NA	1.11	0.99	0.49	1.48
N-Methylglutamic acid	ME581904	NA	NA	NA	1.10	0.89	0.44	1.48
Diaminopimelic acid	ME581981	NA	NA	NA	0.81	1.10	0.47	1.06
Glucosaminic acid	ME581973	NA	NA	NA	0.71	1.13	0.31	1.07
Palmitoylcarnitine	ME581814	NA	NA	NA	0.92	1.26	0.39	1.37
Phosphocreatine	ME581894	NA	NA	NA	0.98	1.37	0.33	1.31
Cytosine	ME581971	NA	NA	NA	0.92	1.17	0.57	1.29
Taurine	ME581905	0.00	0.00	0.00	1.02	1.21	0.56	1.32
Adenine	ME581901	NA	NA	NA	0.79	1.20	0.57	1.30
Cytidine Monophosphate	ME581968	NA	NA	NA	0.80	1.23	0.45	1.28
5^-Deoxyadenosine	ME581853	NA	NA	NA	1.30	1.42	0.09	1.30
Ophthalmic acid	ME581917	NA	NA	NA	1.41	1.29	0.00	1.11
Malic acid	ME581880	NA	NA	NA	1.19	1.11	0.48	1.34
cis-4-hydroxy-D-proline	ME581942	NA	NA	0.00	1.34	0.94	0.54	1.36
Galactosamine / Mannosamine	ME581979	NA	NA	NA	1.39	1.08	0.52	1.26
Deoxycarnitine	ME581882	0.00	0.01	0.00	1.42	1.32	0.35	1.25
Mono-isodecyl phthalate	ME581767	NA	NA	NA	1.43	1.28	0.30	1.26
Ethanolamine phosphate	ME581958	0.03	0.07	0.04	1.22	1.25	0.32	1.46
Methylthioadenosine	ME581846	NA	NA	NA	1.25	1.17	0.28	1.38
Creatine	ME581926	0.00	0.00	0.01	1.27	1.34	0.37	1.30
N-Acetylglucosamine/ N-Acetylgalactosamine/ N-Acetylmannosamine	ME581860	NA	NA	NA	1.17	1.30	0.25	1.31
2-Phosphoglyceric acid	ME581874	NA	NA	NA	0.81	1.42	0.06	1.48
POV-PC	ME581850	NA	NA	NA	0.84	1.24	0.04	1.78
Beta-Nicotinamide Adenine Dinucleotide	ME581962	NA	0.02	0.01	1.01	1.38	0.05	1.62
Nicotinamide	ME581823	0.01	0.02	0.02	1.16	1.24	0.13	1.68
Aspartic Acid	ME581940	0.15	0.23	0.36	0.91	1.54	0.20	1.37
Histamine	ME581996	0.27	0.10	0.27	1.07	1.16	0.31	1.40
1-Arachidonoylglycerol	ME581770	NA	NA	NA	1.97	0.49	0.95	1.57
Deoxyadenosine	ME581864	NA	NA	NA	2.27	0.80	0.57	1.14
5-Methylcytosine	ME581967	NA	0.29	0.42	1.73	0.78	0.14	0.99
Beta-Alanine	ME581969	0.05	0.09	0.40	1.63	0.93	0.76	1.18
Cytidine 2^,3^-Cyclic Phosphate	ME581951	NA	NA	NA	1.98	0.54	0.15	1.45
5-aminolevulinic acid	ME581941	NA	NA	NA	1.75	0.79	0.57	1.41
N,N,N-Trimethyllysine	ME581990	NA	NA	NA	1.69	0.99	0.46	1.31
S-Hexyl-Glutathione	ME581866	NA	NA	NA	1.85	1.07	0.35	1.28
Carnosine	ME581992	NA	NA	NA	1.59	0.84	0.19	1.33
O-Acetylserine	ME581900	NA	NA	NA	1.53	0.90	0.29	1.64
Glutamic Acid	ME581938	0.02	0.03	0.03	1.51	0.90	0.53	1.50
N-Methyl-D-aspartic acid	ME581939	0.02	0.03	0.03	1.51	0.90	0.53	1.50
Ureidopropionic acid	ME581831	1.03	3.59	4.47	1.27	0.61	1.31	0.63
Stachyose	ME581952	0.42	3.98	0.61	0.56	1.62	0.18	1.22
Raffinose	ME581932	0.63	5.71	1.04	1.01	1.14	0.19	1.27
2-Deoxy-D-Glucose	ME581877	2.02	6.34	1.97	1.00	0.72	0.92	1.02
Galactitol	ME581876	1.76	5.63	1.73	1.03	0.89	0.72	1.10
Diethanolamine	ME581972	0.53	0.97	6.65	1.51	0.24	0.07	2.32
Gluconic acid	ME581875	5.62	1.86	4.14	NA	1.23	0.56	0.74

Factors:

F1	SampleType:matrix \| Sampler:DBS
F2	SampleType:matrix \| Sampler:plasma
F3	SampleType:matrix \| Sampler:VAM
F4	SampleType:PooledQC \| Sampler:LQC
F5	SampleType:sample \| Sampler:DBS
F6	SampleType:sample \| Sampler:plasma
F7	SampleType:sample \| Sampler:VAM

Data matrix