Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001048)

(Analysis AN001716)

Metabolite	Structure	F1	F2	F3	F4
L-Glutamic Acid / N-Methyl-D-aspartic acid	ME253659	0.44	7.84	0.63	0.45
Sepiapterin_R2	ME253813	0.80	5.95	1.09	0.78
1-Methyluric Acid	ME253558	0.66	2.81	4.85	0.66
2-Aminophenol_R2	ME253744	0.59	2.20	4.24	0.29
Trigonelline_R1	ME253725	0.76	2.16	4.19	0.67
Trigonelline_R2	ME253765	0.76	2.16	4.19	0.69
2-Aminophenol_R1	ME253559	0.49	3.59	6.85	0.48
Caffeine_R1	ME253602	0.48	2.33	7.19	0.31
Caffeine_R2	ME253805	0.45	2.40	7.47	0.31
Adenosine 2^,3^-Cyclic Phosphate	ME253590	3.61	0.67	NA	NA
Nicotinic acid_R1	ME253695	0.30	3.65	NA	0.09
Sepiapterin_R1	ME253717	0.78	3.53	0.91	0.77
Biopterin_R1	ME253601	0.89	2.21	1.06	0.94
Biopterin_R2	ME253814	0.89	2.25	1.05	0.92
6-Hydroxynicotinate_R1	ME253586	0.86	2.61	1.27	0.64
Deoxycarnitine_R2	ME253768	0.83	2.86	1.18	0.82
Glucose	ME253637	NA	1.20	0.65	NA
Inosine Monophosphate	ME253653	NA	1.31	0.45	NA
Deoxycarnitine_R1	ME253626	0.87	2.73	NA	0.76
Cytidine 2^,3^-Cyclic Phosphate_R1	ME253618	0.54	1.62	0.11	NA
1-Aminocyclopropanecarboxylate	ME253554	0.73	2.23	NA	0.13
Cytidine 2^,3^-Cyclic Phosphate_R2	ME253828	0.28	2.35	0.11	0.11
Nicotinic acid_R2	ME253752	0.26	2.04	NA	0.03
3-Hydroxyanthranilic acid_R2	ME253761	1.01	NA	0.64	0.78
L-Methionine_R1	ME253664	1.04	NA	0.86	0.73
5-aminolevulinic acid	ME253582	1.07	0.39	0.48	1.14
D/L N-Acetylglucosamine / D/L N-Acetylgalactosamine / D/L N-Acetylmannosamine	ME253625	1.09	0.22	0.48	1.12
N-Acetyltryptophan_R2	ME253820	1.05	0.44	0.31	0.90
D-Glucuronolactone	ME253620	1.05	0.33	0.38	1.04
Riboflavin_R1	ME253713	1.09	0.37	0.26	1.06
Riboflavin_R2	ME253832	1.09	0.39	0.27	1.04
D/L N-Acetylglucosamine (A)_R2	ME253846	1.00	NA	0.17	1.04
Pro-Gly_R1	ME253709	1.14	0.08	0.16	0.97
Pro-Gly_R2	ME253788	1.08	0.13	0.34	0.99
Methylthioadenosine_R1	ME253676	1.14	0.10	0.44	0.83
Methylthioadenosine_R2	ME253827	1.09	0.13	0.41	0.79
Anserine_R1	ME253597	1.27	0.26	0.26	0.43
Anserine_R2	ME253817	1.30	0.25	0.26	0.39
Lauroylcarnitine	ME253671	1.09	0.41	NA	0.90
Carnosine_R1	ME253604	1.16	0.19	0.16	0.72
Carnosine_R2	ME253811	1.19	0.16	0.13	0.68
4-Hydroxybenzoate	ME253579	1.14	0.35	NA	0.67
5-Hydroxylysine	ME253583	1.06	0.41	NA	0.51
Lipoamide	ME253672	1.21	0.66	NA	NA
cis-4-hydroxy-D-proline	ME253606	1.16	0.52	0.65	0.27
L-Cysteine_R1	ME253657	1.23	0.29	0.68	0.37
L-Cysteine_R2	ME253751	1.21	0.37	0.82	0.40
Ophthalmate	ME253699	1.06	0.69	NA	0.57
3-(4-Hydroxyphenyl)Pyruvate / Caffeate	ME253565	1.15	0.70	0.33	0.39
D-Ornithine	ME253622	1.12	0.79	0.45	0.41
Ornithine	ME253700	1.13	0.81	0.48	0.37
Cortisone	ME253610	0.95	1.45	0.92	1.06
Betaine/L-Valine/Norvaline_R1	ME253600	0.96	1.65	0.69	0.95
Betaine/L-Valine/Norvaline_R2	ME253836	0.96	1.64	0.73	0.96
1-Methyl-L-Histidine	ME253555	0.94	1.57	0.58	1.17
Pipecolate	ME253708	0.94	1.53	0.67	1.19
Choline_R1	ME253605	1.00	0.99	NA	1.01
Gamma-aminobutyrate / Aminoisobutanoate / 2-Aminoisobutyrate	ME253635	0.99	1.22	0.45	1.15
Sarcosine	ME253716	0.99	1.31	0.24	1.17
Tryptamine	ME253727	0.86	1.51	0.04	1.21
Glutarylcarnitine_R1	ME253638	1.03	1.33	0.11	0.94
Carnitine_R1	ME253603	1.01	1.33	0.03	1.05
O-Acetylcarnitine	ME253697	1.01	1.26	0.00	1.12
6-Hydroxynicotinate_R2	ME253780	0.90	1.77	1.86	0.72
Cytosine	ME253619	0.92	1.50	1.75	0.91
2-Quinolinecarboxylate	ME253563	0.94	1.57	1.37	0.85
N-Methyltryptamine_R1	ME253691	0.92	1.74	1.32	0.85
N-Methyltryptamine_R2	ME253791	0.93	1.67	1.33	0.81
2-Hydroxypyridine_R1	ME253561	0.95	1.59	1.43	0.65
2-Hydroxypyridine_R2	ME253739	0.94	1.43	1.44	0.67
2-Deoxy-D-Glucose_R2	ME253784	0.95	1.14	1.68	0.98
Galactitol_R1	ME253633	0.95	1.16	1.69	0.96
2-Deoxy-D-Glucose_R1	ME253560	0.96	1.23	1.75	0.84
Glutarylcarnitine_R2	ME253823	0.95	1.27	1.77	0.89
N-Acetylphenylalanine	ME253684	0.94	1.43	1.50	0.91
N,N,N-Trimethyllysine_R2	ME253801	1.02	1.43	1.54	1.04
4-Aminobenzoate / Anthranilate	ME253576	0.96	1.14	1.40	1.06
N,N,N-Trimethyllysine_R1	ME253692	0.95	1.33	1.42	0.96
Galactitol_R2	ME253798	0.96	1.23	1.53	0.95
Galacturonate	ME253634	0.95	1.25	1.51	0.97
Hippurate_R1	ME253646	0.94	1.26	1.45	1.05
Hippurate_R2	ME253796	0.94	1.26	1.44	1.05
Carnitine_R2	ME253782	0.95	1.28	1.52	1.01
4-Hydroxybenzaldehyde_R2	ME253742	0.94	1.26	1.54	1.05
Phenol_R1	ME253704	0.94	1.26	1.51	1.06
4-Hydroxybenzaldehyde_R1	ME253578	0.94	1.28	1.51	1.05
Phenol_R2	ME253738	0.94	1.28	1.52	1.05
Cortisol 21-Acetate	ME253609	0.93	0.68	1.89	1.13
2-Oxobutanoate	ME253562	0.93	1.04	2.07	1.02
L-Proline_R1	ME253666	0.91	1.27	1.93	1.05
L-Methionine_R2	ME253771	1.02	0.04	1.19	0.98
Nicotinamide	ME253693	0.99	NA	1.32	0.95
L-Isoleucine / Norleucine	ME253661	1.03	0.21	1.43	1.14
Cyclic AMP	ME253830	1.06	0.30	1.15	1.07
Cyclic AMP (Adenosine 3^,5^-cyclic monophosphate)	ME253614	1.05	0.29	1.15	1.06
Dihydrobiopterin_R1	ME253629	1.03	0.46	1.43	0.99
Dihydrobiopterin_R2	ME253815	1.03	0.45	1.40	0.99
Cytidine_R2	ME253819	1.05	0.50	1.22	0.96
Adenine_R1	ME253588	1.03	0.45	1.28	1.07
Adenine_R2	ME253763	1.03	0.47	1.31	1.03
Adenosine_R1	ME253589	1.04	0.43	1.23	1.03
Adenosine_R2	ME253822	1.07	0.40	1.26	1.05
L-Leucine	ME253662	1.08	0.34	1.59	0.69
S-Adenosylhomocysteine_R1	ME253714	0.97	NA	1.78	0.85
S-Adenosylhomocysteine_R2	ME253833	0.95	NA	1.91	0.93
Phenylglycine	ME253707	0.72	0.95	1.22	0.28
Gluconate	ME253636	1.06	1.06	0.89	0.53
Malate	ME253674	1.00	1.20	0.95	0.48
Indole-3-Acetate (B)	ME253794	1.05	0.98	0.97	0.73
Alanine / D-Alanine	ME253592	1.04	0.79	0.91	0.88
N-Acetylaspartate_R1	ME253679	1.05	0.83	0.92	0.83
N-Acetylaspartate_R2	ME253792	1.05	0.81	0.94	0.83
D,L Glucosamine (A) / D,L Galactosamine (A) / D-Mannosamine	ME253840	1.04	0.74	1.05	0.85
D/L Glucosamine / D/L Galactosamine / D-Mannosamine	ME253623	1.04	0.83	1.02	0.86
Kynurenine_R2	ME253808	1.01	0.98	1.09	0.89
Thiopurine S-Methylether	ME253721	1.03	0.90	0.91	0.93
Asymmetrical dimethylarginine_R1	ME253599	1.02	0.85	1.00	0.99
Cortisol	ME253608	1.01	0.89	1.00	0.97
Kynurenine_R1	ME253655	1.02	0.96	1.01	0.88
Glycocholate	ME253641	1.02	0.92	1.02	0.92
N-Alpha-Acetyllysine_R1	ME253689	1.01	0.95	1.01	0.96
N-Alpha-Acetyllysine_R2	ME253800	1.01	0.94	1.00	0.95
Glycochenodeoxycholate_R1	ME253640	0.98	1.25	0.83	1.00
3-(2-Hydroxyphenyl)Propanoate_R1	ME253564	0.98	1.23	0.86	1.04
Adrenaline(Epinephrine)_R2	ME253799	0.97	1.22	0.90	1.07
L-Cystine_R2	ME253816	0.99	1.26	0.92	0.94
N-Acetylproline_R1	ME253685	0.98	1.32	0.98	0.94
Glycochenodeoxycholate_R2	ME253834	1.00	1.24	0.66	0.98
Histamine_R2	ME253745	0.98	1.26	0.75	0.96
Dihydrouracil_R2	ME253747	1.00	1.12	0.76	0.97
Histamine_R1	ME253647	1.01	1.17	0.80	0.88
4-Pyridoxic acid	ME253581	1.02	1.00	0.91	0.88
L-Cystine_R1	ME253658	1.01	1.03	0.86	0.93
Dihydrouracil_R1	ME253630	1.00	1.11	0.93	0.95
4-Pyrodixic acid / Xanthurenate	ME253845	1.01	1.06	0.94	0.94
Xanthurenate	ME253735	1.01	1.06	0.94	0.94
Ectoine_R1	ME253632	1.01	1.12	0.89	0.89
3-(2-Hydroxyphenyl)Propanoate_R2	ME253786	1.02	1.18	0.93	0.90
Ectoine_R2	ME253766	1.00	1.17	0.94	0.93
Taurine_R1	ME253720	0.97	1.21	1.06	1.02
Phenylacetylglutamine_R2	ME253821	0.99	1.10	0.99	1.03
4-Acetamidobutanoate_R1	ME253575	0.99	1.16	1.00	1.00
4-Acetamidobutanoate_R2	ME253767	0.98	1.13	1.01	1.02
Phenylacetylglutamine_R1	ME253705	0.98	1.14	1.01	1.03
3-Nitro-L-Tyrosine_R1	ME253573	1.00	0.98	1.05	1.01
Xanthosine_R1	ME253734	0.99	1.05	0.91	1.04
Xanthosine_R2	ME253826	0.99	1.07	0.94	1.03
Ureidopropionate_R1	ME253730	1.00	1.03	1.01	0.98
Taurine_R2	ME253770	1.00	1.01	0.93	1.02
Dimethylglycine_R1	ME253631	1.00	1.01	0.97	0.99
Dimethylglycine_R2	ME253740	1.00	1.02	0.96	1.03
Ureidopropionate_R2	ME253759	1.00	1.02	0.98	1.02
Guanine_R2	ME253773	1.02	1.01	0.72	0.85
Deoxycytidine_R1	ME253627	1.04	0.89	0.74	0.89
Guanidinosuccinate_R1	ME253643	1.05	0.91	0.72	0.85
1-Methylnicotinamide	ME253557	1.03	0.97	0.78	0.88
Guanidinosuccinate_R2	ME253793	1.09	0.95	0.75	0.89
Guanidinoacetate_R1	ME253642	1.01	1.01	0.75	1.02
Glycine_R1	ME253639	1.01	1.00	0.78	1.02
Glycine_R2	ME253737	1.01	1.02	0.78	1.03
Kynurenic acid_R1	ME253654	1.02	0.92	0.82	1.01
Kynurenic acid_R2	ME253802	1.01	0.94	0.83	1.01
Adrenaline(Epinephrine)_R1	ME253591	1.01	1.02	0.85	1.01
Lactose	ME253670	1.00	0.98	0.84	1.06
Guanidinoacetate_R2	ME253749	1.09	1.09	0.80	1.11
Inosine	ME253652	0.99	1.09	0.83	1.05
Guanosine_R2	ME253825	1.01	0.75	1.19	1.04
5-Hydroxytryptophan	ME253584	1.00	0.73	1.13	1.08
Guanosine_R1	ME253645	1.01	0.74	1.14	1.05
1-Methyladenosine_R1	ME253556	1.02	0.79	1.24	0.94
1-Methyladenosine_R2	ME253824	1.02	0.77	1.18	0.96
5-Methylcytosine_R2	ME253753	1.02	0.73	1.19	0.99
5-Methylcytosine_R1	ME253585	1.02	0.65	1.24	0.98
Uridine Monophosphate	ME253732	1.01	0.70	1.35	1.00
3-Amino-4-Hydroxybenzoate_R1	ME253566	1.00	0.87	1.35	0.98
3-Amino-4-Hydroxybenzoate_R2	ME253762	0.99	0.92	1.42	0.98
Choline_R2	ME253741	0.99	1.01	1.33	1.01
Trimethylamine_R1	ME253726	1.00	0.95	1.29	0.93
3-Hydroxy-3-Methylglutaryl-Coa	ME253568	0.96	1.08	1.11	1.09
Phenylethanolamine	ME253706	0.98	1.01	1.14	1.07
Asymmetrical dimethylarginine_R2	ME253806	1.10	0.91	1.11	1.09
3-methylhistamine_R1	ME253572	1.00	0.86	1.23	1.04
3-methylhistamine_R2	ME253754	0.99	0.86	1.23	1.04
3-Nitro-L-Tyrosine_R2	ME253807	0.99	0.98	1.16	0.99
N-Acetylneuraminate_R1	ME253683	1.01	0.86	1.10	1.02
N-Acetylneuraminate_R2	ME253829	1.04	0.90	1.15	0.99
Cystathionine	ME253616	0.90	0.93	1.22	0.60
Aminoadipate	ME253594	1.02	0.95	1.35	0.74
N-Acetylserine_R2	ME253757	1.01	0.89	1.21	0.72
N-Acetylglutamate_R1	ME253681	1.02	1.01	1.20	0.79
N-Acetylglutamate_R2	ME253803	1.02	1.01	1.18	0.80
Uric acid_R1	ME253731	0.99	1.17	1.40	0.79
Uric acid_R2	ME253787	1.00	1.19	1.42	0.78
N-Acetylserine_R1	ME253687	0.99	1.08	1.32	0.87
Trimethylamine_R2	ME253736	0.98	1.18	1.26	0.89
Indole-3-Acetate	ME253651	0.97	1.35	1.12	0.90
L-Threonine / Homoserine / Allothreonine_R2	ME253837	1.08	1.11	1.27	1.02
Pyroglutamate_R2	ME253756	1.00	1.29	1.21	1.03
L-Threonine / Homoserine / Allothreonine_R1	ME253668	0.99	1.10	1.14	0.96
Citrulline_R2	ME253795	0.97	1.23	1.21	0.96
Creatinine	ME253613	0.97	1.18	1.22	0.98
Citrulline_R1	ME253607	0.98	1.17	1.13	0.97
Pyroglutamate_R1	ME253711	0.97	1.22	1.15	0.99
Thymine_R1	ME253722	1.02	1.06	0.59	0.97
Thymine_R2	ME253755	1.05	0.97	0.49	0.93
N-Methylglutamate_R1	ME253690	1.08	0.85	0.46	0.86
N-Methylglutamate_R2	ME253781	1.09	0.85	0.44	0.83
3,4-Dihydroxybenzoate	ME253574	1.15	0.76	0.54	0.66
3-(4-Hydroxyphenyl)Pyruvate	ME253841	1.13	0.84	0.53	0.75
3-Methoxytyrosine	ME253571	1.10	0.63	0.46	0.86
Raffinose_R1	ME253712	1.11	0.49	0.50	0.77
N-Acetylmethionine_R1	ME253682	1.08	0.76	0.24	0.88
N-Acetyltryptophan_R1	ME253688	1.05	0.71	0.35	1.08
L-Arginine_R1	ME253656	1.10	0.29	0.87	0.84
L-Arginine_R2	ME253790	1.15	0.32	0.93	0.89
Raffinose_R2	ME253835	1.09	0.44	0.87	0.84
Indole-3-Acetamide	ME253650	1.14	0.38	0.81	0.73
L-Phenylalanine_R1	ME253665	1.10	0.45	0.80	0.74
L-Phenylalanine_R2	ME253785	1.10	0.45	0.81	0.75
L-Serine_R2	ME253743	1.15	0.42	0.98	1.10
Asparagine_R2	ME253760	1.12	0.27	0.98	1.08
Asparagine_R1	ME253598	1.07	0.26	0.92	1.04
Guanine_R1	ME253644	1.07	0.21	0.92	1.06
D/L N-Acetylglucosamine (A)_R1	ME253844	1.05	0.30	0.78	1.06
L-Serine_R1	ME253667	1.07	0.38	0.88	1.00
Tryptophan	ME253728	1.10	0.79	0.72	0.59
Deoxycytidine_R2	ME253812	1.05	0.63	0.87	0.96
Diethanolamine	ME253628	1.07	0.56	0.84	0.86
D-Mannosamine_R1	ME253621	1.08	0.69	0.88	0.73
Octopamine_R2	ME253776	1.07	0.64	1.01	0.81
Allantoin_R1	ME253593	1.07	0.69	0.76	0.80
Methylpicolinate	ME253675	1.06	0.69	0.70	0.89
Allantoin_R2	ME253779	1.06	0.80	0.82	0.77
N-Acetylproline_R2	ME253778	1.06	0.80	0.74	0.85
D,L Glucosamine (B) / D,L Galactosamine (B)	ME253839	1.09	0.53	0.66	0.63
D-Mannosamine_R2	ME253842	1.10	0.52	0.73	0.75
D/L Glucosamine / D/L Galactosamine	ME253624	1.09	0.58	0.68	0.80
L-Lysine_R1	ME253663	1.09	0.61	0.73	0.73
L-Lysine_R2	ME253769	1.09	0.61	0.73	0.75
Sucrose / Trehalose	ME253847	1.07	0.78	0.85	1.31
Pterin_R1	ME253710	1.02	0.68	0.84	1.14
Sucrose	ME253719	1.01	0.77	0.83	1.17
Trehalose	ME253724	1.00	0.77	0.84	1.19
N-Acetylputrescine_R1	ME253686	1.02	0.77	1.00	1.02
N-Acetylputrescine_R2	ME253758	1.02	0.77	1.00	1.03
3-Hydroxyanthranilic acid_R1	ME253569	1.04	0.54	0.94	1.08
Hydroxykynurenine_R1	ME253648	1.04	0.55	0.99	1.05
Hydroxykynurenine_R2	ME253810	1.04	0.54	0.99	1.05
Aminocaproate_R2	ME253764	1.03	0.66	1.04	1.04
L-Tyrosine_R2	ME253797	1.02	0.65	1.08	1.03
L-Proline_R2	ME253748	1.09	0.62	0.94	1.09
Cyclic GMP_R1	ME253615	1.03	0.65	0.93	1.04
Cyclic GMP_R2	ME253831	1.03	0.64	0.92	1.04
Aminocaproate_R1	ME253595	1.03	0.67	1.00	1.02
L-Tyrosine_R1	ME253669	1.03	0.63	0.98	1.03
L-Histidine_R1	ME253660	1.04	0.57	0.57	1.18
L-Histidine_R2	ME253777	1.12	0.62	0.62	1.29
Orotate	ME253701	1.04	0.79	0.67	0.99
N-Acetylasparagine_R1	ME253678	1.03	0.82	0.65	1.06
N-Acetylasparagine_R2	ME253789	1.03	0.85	0.63	1.03
Pterin_R2	ME253783	1.04	0.64	0.73	1.07
Xanthine_R1	ME253733	1.04	0.67	0.72	1.02
Xanthine_R2	ME253774	1.04	0.67	0.72	1.02
Succinate_R1	ME253718	1.03	0.76	0.72	1.05
Succinate_R2	ME253750	1.03	0.74	0.80	1.05
Lumichrome_R2	ME253818	1.07	0.52	0.62	0.95
Hypoxanthine/2-Deoxyinosine_R1	ME253649	1.06	0.59	0.59	1.05
Hypoxanthine/2-Deoxyinosine_R2	ME253838	1.05	0.60	0.60	1.06
Pantothenate_R1	ME253702	1.04	0.69	0.51	1.08
Pantothenate_R2	ME253809	1.04	0.69	0.53	1.09
N-Acetylmethionine_R2	ME253804	1.06	0.67	0.54	0.97
Uracil_R1	ME253729	1.05	0.68	0.61	1.03
Uracil_R2	ME253746	1.04	0.70	0.60	1.04
Cytidine_R1	ME253617	2.57	0.41	1.18	0.80
Aniline-2-Sulfonate	ME253596	1.64	0.64	0.90	NA
3-Amino-5-Hydroxybenzoate_R1	ME253567	1.64	1.17	0.55	0.30
3-Amino-5-Hydroxybenzoate_R2	ME253775	1.65	1.24	0.64	0.30
3-Methoxytyramine_R1	ME253570	2.02	0.42	NA	0.46
3-Methoxytyramine_R2	ME253772	2.48	0.36	NA	0.38
4-Guanidinobutanoate	ME253577	1.47	0.09	0.04	0.07
4-Imidazoleacetate	ME253580	1.68	NA	0.52	0.19
Lumichrome_R1	ME253673	0.92	0.57	3.38	0.92
Octopamine_R1	ME253698	0.99	0.91	2.56	0.52
Paraxanthine	ME253843	0.86	1.58	2.93	0.79
Paraxanthine / Theobromine /Theophylline	ME253703	0.85	1.64	3.04	0.82
N-Acetylcysteine	ME253680	0.90	1.31	2.78	0.69
S-Carboxymethylcysteine	ME253715	0.89	1.39	2.65	0.91
Norcotinine	ME253696	0.12	0.42	3.21	NA
Acetaminophen	ME253587	0.45	1.73	1.74	0.02
Mevalolactone	ME253677	NA	0.99	1.65	0.76
Cotinine N-oxide	ME253612	NA	0.56	1.78	NA
Nicotine-1-N-oxide	ME253694	0.08	0.43	2.11	NA
Cotinine	ME253611	0.02	0.62	2.10	NA
trans-3-hydroxycotinine	ME253723	0.00	0.75	1.99	NA

Factors:

F1	Analysis type:CHEAR 2016-1407 Study Sample
F2	Analysis type:CHEAR Pooled Urine
F3	Analysis type:NIST Smoker''s Urine
F4	Analysis type:Study Pooled QC

Data matrix