Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002273)

Reversed phase POSITIVE ION MODE (Analysis AN003715)

Metabolite	Structure	F1	F2
2-Hydroxycaproic acid	ME545790	0.14	1.14
Ureidosuccinic acid	ME545914	NA	1.00
Nutriacholic acid	ME545883	NA	1.00
Homocitrulline	ME545846	NA	1.00
All-trans-retinoic acid	ME545813	NA	1.00
5-Hydroxytryptophol	ME545800	NA	1.00
1,3-Dimethyluric acid	ME545786	NA	1.00
16-Dehydroprogesterone	ME545787	NA	1.00
Tetracosanoic acid	ME545905	0.57	1.85
Adenosine monophosphate	ME545811	0.16	2.01
Glutathione	ME545839	0.27	1.73
Urocanic acid	ME545918	0.32	1.68
Adenine	ME545810	0.16	1.70
Uridine 5^-monophosphate	ME545916	0.12	1.74
PC(18:1(9Z)/18:1(9Z))	ME545888	0.20	1.80
ADP	ME545812	0.14	1.86
Guanosine monophosphate	ME545845	0.17	1.83
Deoxyguanosine	ME545831	0.38	1.62
Creatine	ME545824	0.42	1.58
Phenylpropanolamine	ME545891	0.43	1.57
Pyridine	ME545897	0.54	1.55
Guaifenesin	ME545841	0.50	1.50
Picolinic acid	ME545893	0.51	1.49
Cytosine	ME545828	0.24	1.51
Glycerophosphocholine	ME545840	0.29	1.47
Succinic acid	ME545904	0.29	1.48
PC(16:0/16:0)	ME545887	0.11	1.35
Cyclic AMP	ME545825	0.18	1.49
N-Acetylneuraminic acid	ME545875	0.10	1.45
6-Methyladenine	ME545805	1.51	0.49
7-Methylguanine	ME545806	1.67	0.44
Flavone	ME545838	1.60	0.80
Uridine	ME545915	1.27	0.82
L-Dopa	ME545860	1.26	0.74
6-Dimethylaminopurine	ME545804	1.23	0.77
Linoleic acid	ME545862	1.22	0.78
Nicotinamide ribotide	ME545878	1.34	0.66
Sphingosine	ME545903	1.38	0.62
Cytidine	ME545826	1.43	0.64
Sphinganine	ME545902	1.42	0.65
Pregnenolone	ME545894	0.48	1.26
3-Hexenedioic acid	ME545795	0.43	1.38
D-Alanine	ME545829	0.50	1.34
Medroxyprogesterone	ME545869	0.83	1.33
2-Phenylaminoadenosine	ME545792	0.76	1.30
Ibuprofen	ME545849	0.76	1.32
Dextromethorphan	ME545832	0.71	1.24
L-Acetylcarnitine	ME545856	0.71	1.29
Trimethylamine	ME545910	0.71	1.29
Metoprolol	ME545871	0.72	1.28
Traumatic acid	ME545909	0.72	1.28
Indole	ME545850	0.75	1.25
2-Pyrrolidinone	ME545793	0.73	1.27
Alpha-Aspartyl-lysine	ME545814	0.74	1.26
Pantothenic acid	ME545886	0.74	1.26
Hyodeoxycholic acid	ME545847	0.73	1.45
L-Proline	ME545866	0.59	1.41
L-Tryptophan	ME545867	0.59	1.41
Isoferulic acid	ME545854	0.57	1.43
Niacinamide	ME545877	0.56	1.44
5^-Methylthioadenosine	ME545802	0.69	1.31
Perillic acid	ME545889	0.68	1.32
L-Phenylalanine	ME545865	0.66	1.34
5-Phenylvaleric acid	ME545803	0.67	1.33
Indoleacrylic acid	ME545851	0.67	1.33
3,5-Dimethoxyphenol	ME545794	0.64	1.36
o-Tyrosine	ME545884	0.65	1.35
Uridine diphosphate-N-acetylglucosamine	ME545917	0.61	1.39
Pyroglutamic acid	ME545899	0.62	1.38
Cinnamic acid	ME545821	0.63	1.37
Quinaldic acid	ME545900	0.63	1.37
Threonic acid	ME545906	1.04	0.97
2,5-Furandicarboxylic acid	ME545789	1.03	0.97
Butanone	ME545820	1.03	0.97
DL-2-aminooctanoic acid	ME545835	1.08	0.95
Pyridoxal 5^-phosphate	ME545898	1.04	0.94
Acetone	ME545809	1.06	0.94
D-Glucurono-6,3-lactone	ME545833	1.06	0.94
Dehydroascorbic acid	ME545830	1.05	0.96
Oxypurinol	ME545885	1.05	0.95
Inosine	ME545852	1.09	0.91
Trans-Aconitic acid	ME545908	1.06	0.89
Guanidine	ME545842	1.15	0.87
Cis-Aconitic acid	ME545822	1.11	0.87
Propanal	ME545895	1.11	0.89
L-Aspartic acid	ME545858	0.77	1.23
Phosphoric acid	ME545892	0.78	1.22
5-Dodecenoic acid	ME545799	0.76	1.20
3-Hydroxymethylglutaric acid	ME545796	0.77	1.19
3-Methylindole	ME545798	0.78	1.18
Salbutamol	ME545901	0.84	1.20
Benzenebutanoic acid	ME545818	0.80	1.17
N-Methyl-D-aspartic acid	ME545880	0.81	1.19
Tolnaftate	ME545907	0.81	1.19
Flavin mononucleotide	ME545837	0.79	1.14
9-Methyluric acid	ME545807	0.79	1.12
Atenolol	ME545817	0.80	1.13
Guanine	ME545843	0.86	1.14
Benzoic acid	ME545819	0.88	1.12
Citicoline	ME545823	0.87	1.13
N-Acetyl-L-phenylalanine	ME545874	0.87	1.13
Normetanephrine	ME545882	0.84	1.13
N-Acetyl-L-aspartic acid	ME545873	0.84	1.16
2-Hydroxyphenethylamine	ME545791	0.84	1.16
Diethanolamine	ME545834	0.84	1.16
Protocatechuic acid	ME545896	0.85	1.15
Phenylacetaldehyde	ME545890	0.85	1.15
N-Acetylputrescine	ME545876	0.85	1.15
L-Glutamic acid	ME545861	0.85	1.15
L-Malic acid	ME545863	0.85	1.15
Asymmetric dimethylarginine	ME545816	0.83	1.17
L-Norleucine	ME545864	0.82	1.15
N-Acetylglutamic acid	ME545872	0.90	1.08
Norepinephrine	ME545881	0.89	1.08
Aniline	ME545815	0.90	1.10
Elaidic acid	ME545836	0.91	1.09
Melatonin	ME545870	0.91	1.06
N-Methyl-a-aminoisobutyric acid	ME545879	0.91	1.06
Guanosine	ME545844	0.92	1.08
Isobutyric acid	ME545853	0.92	1.08
L-Carnitine	ME545859	0.93	1.07
m-Coumaric acid	ME545868	0.94	1.06
Hypoxanthine	ME545848	0.96	1.04
Cytidine monophosphate	ME545827	0.95	1.05
Uracil	ME545913	0.95	1.05
Acetic acid	ME545808	1.00	1.00
Isovalerylcarnitine	ME545855	1.00	1.00
Umbelliferone	ME545912	0.97	1.03
5-Methoxytryptophol	ME545801	0.98	1.02
1-Butanol	ME545788	0.98	1.02
3-Methoxyphenylacetic acid	ME545797	0.98	1.02
L-Arginine	ME545857	1.91	0.09
Tryptamine	ME545911	1.00	NA

Factors:

F1	Phenotype:Parental
F2	Phenotype:Resistant

Data matrix