Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001317)

(Analysis AN002192)

Metabolite	Structure	F1	F2	F3	F4
Caffeine	ME307208	0.57	5.58	0.53	1.81
Nicotine	ME307311	0.33	6.95	0.10	4.09
Nicotinic acid	ME307219	0.67	1.06	1.00	4.00
O-Acetylcarnitine	ME307248	0.16	0.11	0.16	4.99
Cotinine N-oxide	ME307242	NA	1.67	NA	0.67
Gluconate	ME307265	0.65	0.89	0.51	2.89
4-Guanidinobutanoate	ME307292	0.83	0.54	0.51	1.89
Aspartate	ME307295	0.98	0.50	1.01	2.05
Methyl Vanillate	ME307289	1.10	NA	0.29	NA
trans-4-hrdroxy-L-proline	ME307294	1.05	0.80	NA	NA
4-Pyridoxic acid	ME307232	0.87	1.98	1.13	1.76
1-Methyluric Acid	ME307241	0.84	2.49	0.93	1.70
N-Acetylcysteine	ME307213	0.84	2.23	0.80	1.88
Guanosine	ME307262	0.68	2.01	0.44	1.33
Trigonelline	ME307278	0.99	2.05	0.67	0.96
Galacturonate	ME307275	0.88	2.09	0.78	1.41
Theobromine /Theophylline/ Paraxanthine	ME307214	0.92	1.98	0.98	1.13
Alanine	ME307304	0.92	1.02	0.86	1.61
Carnosine	ME307315	0.90	0.89	0.96	1.52
Betaine	ME307271	1.01	0.99	1.11	1.61
L-Valine/Methyl 4-Aminobutyrate	ME307270	1.02	0.82	1.12	1.69
Didecanoyl-Glycerophosphocholine	ME307247	0.92	1.36	0.60	1.46
L-Tyrosine	ME307266	0.94	1.52	0.84	1.45
Creatinine	ME307303	1.04	1.19	0.97	1.48
Methylthioadenosine	ME307245	0.93	1.34	0.92	1.51
Pipecolate	ME307276	0.93	1.27	0.94	1.49
Sucrose	ME307283	1.00	1.55	1.49	1.18
D/L N-Acetylmannosamine	ME307261	0.92	1.40	1.15	1.30
Uric acid	ME307250	1.01	1.64	1.22	1.30
Carnitine	ME307316	0.99	1.57	1.21	1.48
N6-(Delta2-Isopentenyl)-Adenine	ME307228	1.01	1.44	1.22	1.41
L-Serine	ME307307	1.09	1.38	1.23	0.73
2-Deoxy-D-Glucose	ME307263	1.07	1.23	1.30	0.86
S-Carboxymethylcysteine	ME307231	0.96	1.13	1.40	0.76
cis-4-hydroxy-D-proline	ME307297	1.08	1.71	0.90	0.87
N-Methylglutamate	ME307285	0.96	1.49	0.96	1.18
1-Methyladenosine	ME307309	0.98	1.33	0.97	0.96
3-Hydroxyanthranilic acid	ME307216	1.00	1.41	0.98	0.84
Methylpicolinate	ME307206	1.07	0.28	1.33	0.40
L-Leucine	ME307256	1.17	0.63	1.19	0.39
Trehalose	ME307287	1.12	0.76	1.15	0.69
Kynurenic acid	ME307227	1.05	0.80	1.09	0.61
3-Hydroxybenzaldehyde	ME307273	1.06	0.78	1.14	0.49
Asparagine	ME307310	1.06	0.73	1.13	0.49
4-Hydroxy-4-(3-pyridyl)butanoic acid	ME307274	1.04	0.81	1.19	0.56
Lactose	ME307291	1.11	0.80	1.16	0.55
3-Amino-4-Hydroxybenzoate	ME307243	1.07	0.88	0.86	0.64
Cortisol	ME307205	1.07	0.90	0.89	0.75
Xanthine	ME307237	1.02	0.89	1.02	0.88
Ectoine	ME307284	1.04	0.92	0.84	0.87
Norvaline	ME307279	1.07	0.88	0.92	0.87
Hypoxanthine	ME307239	1.10	0.82	1.25	0.87
N-Acetylaspartate	ME307230	1.12	0.83	1.24	0.77
4-Acetamidobutanoate	ME307217	1.01	0.77	1.16	0.88
3-Nitro-L-Tyrosine	ME307249	1.01	0.90	1.13	0.78
Tryptophan	ME307258	1.01	0.84	1.19	0.78
Guanine	ME307281	1.07	1.05	1.18	0.83
N-Acetylglutamate	ME307229	1.10	1.08	1.15	0.87
1-Aminocyclopropanecarboxylate	ME307299	1.02	1.03	1.04	0.69
L-Proline	ME307272	1.01	1.05	1.12	0.76
Sepiapterin	ME307240	1.04	0.16	1.17	0.91
Dimethylglycine	ME307290	1.13	0.36	1.32	0.74
Gamma-aminobutyrate	ME307288	1.13	0.38	1.34	0.76
Allantoin	ME307252	1.07	0.57	1.00	0.59
Kynurenine	ME307254	1.10	0.48	0.98	0.54
Inosine	ME307244	1.05	0.45	1.20	0.59
N-Acetyltryptophan	ME307215	1.08	0.32	1.11	0.58
Riboflavin	ME307235	1.07	0.36	1.10	0.64
Uracil	ME307225	1.06	0.76	0.93	0.78
D-Glucuronolactone	ME307238	1.05	0.62	0.92	0.87
L-Isoleucine	ME307257	1.15	0.63	0.97	0.81
2-Aminoisobutyrate	ME307293	1.02	0.60	1.04	1.00
Glycochenodeoxycholate	ME307211	1.01	0.56	1.10	0.98
Cyclic GMP	ME307264	1.04	0.67	1.08	0.79
Indole-3-Acetate	ME307209	1.00	0.62	1.19	0.80
Aminoadipate	ME307296	1.12	0.55	1.16	0.83
Biopterin	ME307255	1.04	0.46	1.14	0.73
Pantothenate	ME307220	1.04	0.52	1.12	0.74
N-Acetylglycine	ME307222	1.07	0.39	0.66	1.14
Glucose	ME307269	1.09	0.80	0.69	1.18
Norleucine	ME307260	1.04	0.65	0.86	1.10
6-Hydroxynicotinate	ME307226	0.97	1.01	0.59	1.13
2-Hydroxypyridine	ME307221	1.02	1.13	0.81	1.10
Galactitol	ME307267	1.11	1.04	0.71	1.02
Beta-alanine methyl ester	ME307280	1.09	0.83	1.21	1.03
Citrulline	ME307308	1.08	0.93	1.25	0.98
Xanthurenate	ME307234	1.01	0.81	0.99	1.06
Ureidopropionate	ME307233	0.98	0.94	1.12	1.02
Xanthosine	ME307246	0.98	0.86	1.12	1.05
Allothreonine/L-Threonine	ME307301	0.97	0.85	1.09	1.23
N-Acetylasparagine	ME307236	1.09	0.76	1.18	1.13
Dihydrouracil	ME307218	1.06	0.78	1.09	1.16
Octopamine	ME307302	1.09	0.80	1.12	1.13
Hippurate	ME307212	0.97	1.10	1.11	1.00
L-Lysine	ME307314	1.06	1.16	1.04	1.01
Homoserine	ME307305	1.05	0.99	1.10	1.14
Pyroglutamate/Oxoproline	ME307224	0.97	1.01	1.07	1.13
4-Aminobenzoate/Anthranilate	ME307210	1.01	1.16	1.14	1.13
7-Methylguanine	ME307268	0.97	1.12	1.05	1.14
N-Acetylneuraminate	ME307259	1.06	1.23	1.22	1.08
Phenylacetylglutamine	ME307223	1.05	1.08	1.24	1.23
L-Arginine	ME307313	1.14	1.17	1.12	0.42
Adenosine 2^,3^-Cyclic Phosphate	ME307277	1.05	1.02	1.21	0.32
Cyclic AMP	ME307282	1.06	1.03	1.17	0.31
L-Glutamic Acid	ME307298	1.08	1.00	1.21	0.05
N-Methyl-D-aspartic acid	ME307300	1.00	0.81	1.04	NA
Aminocaproate/Adenine	ME307286	0.82	0.77	0.68	0.52
Ethanolamine phosphate	ME307306	1.10	0.73	0.84	0.46
S-Hexyl-Glutathione	ME307253	1.12	0.83	0.65	0.36
N-Acetylphenylalanine	ME307207	1.16	0.29	0.36	0.42
L-Phenylalanine	ME307251	1.24	0.54	0.78	0.28
Phosphorylcholine	ME307312	1.14	0.41	0.63	0.35

Factors:

F1	SampleType:CHEAR Study Sample
F2	SampleType:NIST_3672
F3	SampleType:Study Sample Pooled QC
F4	SampleType:UT_CHEAR_UrinePool

Data matrix