Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003175)

Reversed phase NEGATIVE ION MODE (Analysis AN005212)

Metabolite	Structure	F1	F2
Allantoin_1	ME829473	0.46	1.54
(R)-Malate_2	ME829421	0.46	1.54
2,5-Dihydroxybenzoate	ME829428	0.40	1.60
Creatine	ME829499	0.39	1.61
Orotate	ME829608	0.24	1.76
Alpha-Aminoadipate_3	ME829477	0.18	1.82
N-Acetyl-Dl-Serine	ME829590	0.16	1.84
2-Deoxy-D-Glucose_1	ME829432	1.53	0.47
Erythrose 4-Phosphate_1	ME829518	1.43	0.57
Alpha-Ketoglutaric Acid_1	ME829482	0.55	1.45
2-Hydroxybutyric Acid	ME829437	0.53	1.47
Homocysteine	ME829540	0.54	1.46
2-Aminoethyl Dihydrogen Phosphate_1	ME829429	0.60	1.40
Hypotaurine_1	ME829544	0.61	1.39
Mevalolactone	ME829578	0.57	1.43
4-Hydroxy-L-Proline_2	ME829456	0.58	1.42
L-Glutamine_1	ME829563	0.59	1.41
Alpha-Aminoadipate_1	ME829475	0.66	1.34
N-Acetyl-Dl-Glutamic Acid_1	ME829586	0.66	1.34
Glutarate_2	ME829531	0.67	1.33
Alpha-Aminoadipate_2	ME829476	0.67	1.33
Glutarate_1	ME829530	0.67	1.33
Alpha-Ketoglutaric Acid_2	ME829483	0.65	1.35
N-Acetyl-Dl-Glutamic Acid_3	ME829588	0.65	1.35
Adenine_2	ME829470	0.63	1.37
D-Glyceric Acid	ME829512	0.64	1.36
2-Methylglutaric Acid	ME829442	0.64	1.36
3-Hydroxy-3-Methylglutarate	ME829445	0.64	1.36
L-Glutamine_3	ME829565	0.73	1.27
Adenine_1	ME829469	0.73	1.27
Caffeic Acid	ME829494	0.73	1.27
Arabinose_4	ME829487	0.74	1.26
Pterin	ME829611	0.75	1.25
L-Asparagine_2	ME829557	0.75	1.25
Fumarate_1	ME829521	0.75	1.25
4-Oxoproline	ME829460	0.75	1.25
Allantoin_2	ME829474	0.75	1.25
3-(4-Hydroxyphenyl)Lactate	ME829443	0.68	1.32
Adenosine 3^,5^-Diphosphate	ME829472	0.69	1.31
Formyl-L-Methionyl Peptide	ME829520	0.69	1.31
Pyruvate_2	ME829616	0.71	1.29
L-Glutamine_2	ME829564	0.71	1.29
2-Hydroxy-4-(Methylthio)Butyric Acid_1	ME829434	0.71	1.29
2-Hydroxy-4-(Methylthio)Butyric Acid_2	ME829435	0.71	1.29
3,4-Dihydroxy-L-Phenylalanine	ME829444	0.70	1.30
4-Hydroxy-L-Proline_1	ME829455	0.70	1.30
Quinate	ME829617	1.29	0.71
D-Glucuronic Acid	ME829511	1.28	0.72
Glutathione	ME829532	1.27	0.73
Hippurate	ME829539	1.27	0.73
2-Hydroxyhippuric Acid	ME829439	1.22	0.78
Alpha-D-Galactose 1-Phosphate_1	ME829478	1.22	0.78
2-Hydroxyphenylacetic Acid_2	ME829441	1.25	0.75
2-Hydroxyphenylacetic Acid_1	ME829440	1.24	0.76
Citrate_2	ME829497	1.24	0.76
L-Cysteine	ME829559	1.11	0.89
Mannitol/Sorbitol	ME829577	1.11	0.89
2-Hydroxyglutarate	ME829438	1.12	0.88
Glycerol 2-Phosphate	ME829534	1.12	0.88
Erythrose 4-Phosphate_2	ME829519	1.13	0.87
Inosine	ME829551	1.13	0.87
Alpha-D-Galactose 1-Phosphate_2	ME829479	1.20	0.80
Alpha-D-Galactose 1-Phosphate_4	ME829481	1.19	0.81
N-Acetyl-L-Cysteine	ME829596	1.18	0.82
Trans-Aconitate	ME829628	1.18	0.82
11-Prostaglandin F2	ME829426	1.17	0.83
D-(+)-Raffinose	ME829506	1.17	0.83
Trehalose/Sucrose	ME829629	1.16	0.84
D-(+)-Cellobiose_2	ME829503	1.16	0.84
3-Hydroxyanthranilate	ME829446	1.16	0.84
3-Ureidopropionate	ME829450	1.16	0.84
Lumichrome	ME829575	1.14	0.86
Glucose/Fructose_2	ME829526	1.15	0.85
Sn-Glycero-3-Phosphocholine	ME829621	1.15	0.85
N-Acetyl-Dl-Glutamic Acid_2	ME829587	0.77	1.23
Hydroxypyruvate	ME829543	0.77	1.23
L-Asparagine_1	ME829556	0.77	1.23
4-Aminobenzoate	ME829452	0.78	1.22
2-Aminoethyl Dihydrogen Phosphate_2	ME829430	0.78	1.22
2-Hydroxy-4-(Methylthio)Butyric Acid_3	ME829436	0.78	1.22
4-Hydroxybenzenesulfonic Acid	ME829454	0.79	1.21
Succinate_1	ME829622	0.79	1.21
N-Acetyl-D-Galactosamine_2	ME829584	0.80	1.20
L-Carnitine	ME829558	0.80	1.20
L-Valine	ME829576	0.80	1.20
N-Acetyl-Dl-Methionine	ME829589	0.81	1.19
Monoethyl Phthalate (Mep)	ME829581	0.81	1.19
Ascorbate	ME829488	0.81	1.19
Hypotaurine_2	ME829545	0.81	1.19
Uridine	ME829631	0.82	1.18
Hexanesulfonic Acid-Sulfate	ME829538	0.82	1.18
N-Acetylneuraminate	ME829599	0.82	1.18
(R)-Malate_3	ME829422	0.85	1.15
Pyridoxal	ME829613	0.85	1.15
Arabinose_1	ME829484	0.85	1.15
Proline	ME829610	0.85	1.15
Uracil	ME829630	0.86	1.14
(R)-Malate_4	ME829423	0.86	1.14
L-Tyrosine	ME829573	0.86	1.14
Glyceraldehyde	ME829533	0.86	1.14
Azelaic Acid_2	ME829490	0.86	1.14
Betaine	ME829491	0.86	1.14
L-Methionine	ME829569	0.83	1.17
Pyruvate_1	ME829615	0.84	1.16
N-Acetyl-L-Alanine_2	ME829593	0.84	1.16
4-Pyridoxate	ME829461	0.84	1.16
Citrate_1	ME829496	0.84	1.16
L-Lysine	ME829568	0.88	1.12
Leucine	ME829560	0.88	1.12
Hypoxanthine_3	ME829548	0.88	1.12
Citramalate	ME829495	0.88	1.12
D-Tryptophan_1	ME829516	0.88	1.12
Succinate_3	ME829624	0.87	1.13
N-Acetyl-D-Galactosamine_1	ME829583	0.87	1.13
D-Tryptophan_2	ME829517	0.87	1.13
Hypoxanthine_1	ME829546	0.87	1.13
N-Acetyl-L-Leucine_2	ME829598	0.89	1.11
N-Acetyl-L-Leucine_1	ME829597	0.89	1.11
N-Acetyl-L-Aspartic Acid_2	ME829595	0.89	1.11
N6-(Delta2-Isopentenyl)-Adenine	ME829582	0.89	1.11
Homoserine_2	ME829542	0.89	1.11
5-Oxo-D-Proline	ME829462	0.89	1.11
Dehydroascorbate	ME829509	0.89	1.11
Thymine	ME829627	0.90	1.10
(R)-Malate_1	ME829420	0.90	1.10
N-Acetyl-L-Aspartic Acid_1	ME829594	0.90	1.10
N-Acetylglycine	ME829591	0.90	1.10
L-Phenylalanine	ME829570	0.90	1.10
Monobutyl Phthalate_1	ME829579	0.90	1.10
Glucose/Fructose_5	ME829529	1.07	0.93
Glucose/Fructose_4	ME829528	1.07	0.93
2-Deoxy-D-Glucose_2	ME829433	1.07	0.93
D-(+)-Cellobiose_1	ME829502	1.07	0.93
D-(-)-3-Phosphoglyceric Acid_2	ME829501	1.06	0.94
Quinolinic Acid	ME829618	1.06	0.94
3-Methyl-2-Oxovaleric Acid	ME829448	1.08	0.92
Arabinose_3	ME829486	1.08	0.92
D-Aspartate_2	ME829508	1.09	0.91
D-Saccharic Acid_1	ME829514	1.09	0.91
Sarcosine/Beta-Alanine	ME829620	1.03	0.97
L-Tyrosine-13C6	ME829574	1.03	0.97
L-Glutamic Acid_2	ME829562	1.03	0.97
Homoserine_1	ME829541	1.03	0.97
Glucose/Fructose_1	ME829525	1.03	0.97
Citrulline	ME829498	1.03	0.97
4-Acetamidobutanoate	ME829451	1.03	0.97
3-Sulfino-L-Alanine	ME829449	1.03	0.97
12(S)-Hhtre	ME829427	1.03	0.97
2-Aminoethyl Dihydrogen Phosphate_3	ME829431	1.03	0.97
Xanthosine	ME829633	1.02	0.98
L-Glutamic Acid_1	ME829561	1.02	0.98
Arabinose_2	ME829485	1.02	0.98
D-(-)-3-Phosphoglyceric Acid_1	ME829500	1.02	0.98
L-Arabitol_2	ME829555	1.05	0.95
L-Arabitol_1	ME829554	1.05	0.95
Lactate	ME829553	1.05	0.95
4-Hydroxyphenylacetate	ME829457	1.05	0.95
D-Saccharic Acid_2	ME829515	1.05	0.95
Isocitric Acid	ME829552	1.04	0.96
Adenosine	ME829471	1.04	0.96
Glucose/Fructose_3	ME829527	1.04	0.96
D-Aspartate_1	ME829507	1.01	0.99
Pyridine-2,3-Dicarboxylate	ME829612	1.00	1.00
N-Boc-L-Tert-Leucine_2	ME829602	1.00	1.00
D-(+)-Galactosamine	ME829504	1.00	1.00
N-Boc-L-Tert-Leucine_1	ME829601	1.00	1.00
N-Acetyl-L-Alanine_1	ME829592	0.97	1.03
D-(+)-Galacturonic Acid	ME829505	0.97	1.03
Glycolate_1	ME829536	0.97	1.03
Taurine_2	ME829626	0.98	1.02
Salicylic Acid-D4	ME829619	0.98	1.02
(R,R)-Tartaric Acid	ME829424	0.98	1.02
Nicotinate	ME829607	0.98	1.02
N-Boc-L-Aspartic Acid	ME829600	0.98	1.02
L-Serine_2	ME829572	0.98	1.02
6-Hydroxycaproic Acid	ME829464	0.98	1.02
3-Hydroxydecanoic Acid	ME829447	0.98	1.02
4-Methyl-2-Oxo-Pentanoic Acid_1	ME829458	0.98	1.02
N-Boc-L-Tryptophan_2	ME829604	0.99	1.01
N-Boc-L-Tryptophan_1	ME829603	0.99	1.01
Glycolaldehyde Dimer	ME829535	0.99	1.01
D-Gluconate	ME829510	0.99	1.01
Boc-L-Tyrosine_2	ME829493	0.99	1.01
Boc-L-Tyrosine_1	ME829492	0.99	1.01
6-Carboxyhexanoate	ME829463	0.99	1.01
6-Phosphogluconic Acid_2	ME829468	0.99	1.01
L-Isoleucine	ME829567	0.96	1.04
Fumarate_4	ME829524	0.96	1.04
4-Hydroxy-2-Quinolinecarboxylic Acid	ME829453	0.96	1.04
D-Ornithine	ME829513	0.96	1.04
Taurine_1	ME829625	0.95	1.05
Nicotinamide_1	ME829605	0.95	1.05
L-Serine_1	ME829571	0.95	1.05
Alpha-D-Galactose 1-Phosphate_3	ME829480	0.95	1.05
Indole-3-Acetate	ME829549	0.95	1.05
Xanthine	ME829632	0.93	1.07
Succinate_2	ME829623	0.93	1.07
Hypoxanthine_2	ME829547	0.93	1.07
6-Keto Prostaglandin F1_2	ME829466	0.93	1.07
Fumarate_3	ME829523	0.93	1.07
O-Succinyl-L-Homoserine	ME829609	0.94	1.06
Azelaic Acid_1	ME829489	0.94	1.06
Fumarate_2	ME829522	0.94	1.06
(S)-Lactate	ME829425	0.92	1.08
Nicotinamide_2	ME829606	0.92	1.08
Monobutyl Phthalate_2	ME829580	0.92	1.08
L-Histidine	ME829566	0.92	1.08
Indole-3-Ethanol	ME829550	0.92	1.08
Glycolate_2	ME829537	0.92	1.08
4-Methyl-2-Oxo-Pentanoic Acid_2	ME829459	0.92	1.08
6-Phosphogluconic Acid_1	ME829467	0.92	1.08
Pyridoxamine	ME829614	0.91	1.09
6-Keto Prostaglandin F1_1	ME829465	0.91	1.09
N-Acetyl-D-Galactosamine_3	ME829585	0.91	1.09

Factors:

F1	Genotype:Mul1(+/+)
F2	Genotype:Mul1(-/-)

Data matrix