Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolomic Markers of Methotrexate Response, In Vitro (Study ST001211)

HILIC POSITIVE ION MODE (Analysis AN002017)

Metabolite	Structure	F1	F2
2-Deoxyuridine	ME287964	0.03	1.97
Ketoisovaleric acid	ME288071	0.00	2.00
Ethylhexadecyldimethylammonium cation	ME288038	1.94	0.06
2^-Deoxycytidine	ME287962	1.99	0.01
Hypoxanthine	ME288064	2.00	0.00
Galactosamine	ME288042	1.82	0.18
Inosine-5^-monophosphate	ME288067	1.75	0.25
Phosphocholine	ME288111	1.67	0.33
3-Hydroxyproline	ME287972	1.69	0.31
Glu-Gly-Arg	ME288046	1.70	0.30
Trehalose	ME287955	0.59	1.41
Pyroglutamic acid	ME288120	0.64	1.36
Ornithine	ME288104	0.61	1.39
N-Acetyl-L-carnosine	ME288088	0.63	1.37
3-Hydroxybutyrylcarnitine	ME287971	0.62	1.38
Glutamic acid	ME288047	0.62	1.38
Maltotriose	ME288077	0.72	1.28
Phenylalanine	ME288110	0.72	1.28
Methionine	ME288078	0.66	1.34
N-.alpha.-Acetyl-L-arginine	ME288082	0.67	1.33
Phenylacetyl-L-glutamine	ME288109	0.67	1.33
Serotonin	ME288128	0.70	1.30
Glycine	ME288051	0.68	1.32
Cystine	ME288022	0.69	1.31
Pantothenic acid	ME288105	0.69	1.31
Serine	ME288127	0.27	1.73
4-Hydroxymandelonitrile	ME287980	0.51	1.49
Linoleoylcarnitine	ME288075	0.51	1.49
Aspartic acid	ME287998	0.40	1.60
Pyridoxal	ME288118	0.40	1.60
N,N-Dimethylarginine	ME288080	0.80	1.20
1-Methylnicotinamide	ME287959	0.80	1.20
Glycocholic acid	ME288052	0.80	1.20
Tryptophan	ME288140	0.79	1.21
gamma.-Glutamyl-L-glutamic acid	ME288043	0.79	1.21
Pyridoxine	ME288119	0.79	1.21
Galacto-N-biose	ME288041	0.76	1.24
Biotin	ME288007	0.78	1.22
Turanose	ME288034	0.77	1.23
Asp-Glu	ME287999	0.83	1.08
Isoleucine	ME288069	0.87	1.13
Acetylcarnitine	ME287991	0.87	1.13
D9-Choline iSTD	ME287948	0.87	1.13
Val-Tyr-Val iSTD	ME287951	0.88	1.12
N-Methylhistidine	ME288097	0.88	1.12
Acetyl-L-carnitine	ME287992	0.88	1.12
Ala-Ile	ME287996	0.88	1.12
Gly-Tyr	ME288055	0.90	1.10
Heptadecasphing-4-enine	ME288058	0.89	1.11
Dihydrocapsaicin	ME288030	0.86	1.14
Pseudouridine	ME288117	0.85	1.15
Pipecolic acid	ME288112	0.85	1.15
Lysine	ME288076	0.85	1.15
2,6-Diaminopimelic acid	ME287960	0.85	1.15
Homoarginine	ME288062	0.85	1.15
4-Guanidinobutyric acid	ME287978	0.84	1.16
Tyrosine	ME288141	0.84	1.16
Arginine	ME287997	0.83	1.17
Norleucine	ME288102	0.83	1.17
2-Aminopyridine	ME287961	0.83	1.19
D5-L-Glutamine iSTD	ME287944	0.81	1.19
Histidine	ME288061	0.81	1.19
N-.alpha.-(tert-Butoxycarbonyl)-L-histidine	ME288081	0.82	1.18
Stachydrine	ME288130	0.82	1.18
Vanillic acid	ME288147	0.92	1.08
15N2-L-Arginine iSTD	ME287933	0.92	1.08
Threonine	ME288135	0.92	1.08
Glycodeoxycholic acid	ME288053	0.91	1.09
Adenine	ME287993	0.91	1.09
Cysteine-glutathione disulfide	ME288021	0.91	1.09
Theobromine	ME288134	0.95	1.05
Phenylacetylglutamine	ME288107	0.95	1.05
Paraxanthine	ME288106	0.95	1.05
N-Methyllysine	ME288099	0.95	1.05
N.alpha.-Methyl-L-lysine	ME288083	0.95	1.05
Betaine	ME288003	0.95	1.05
Ecgonine	ME288035	0.95	1.05
Urocanic acid	ME288146	0.94	1.06
N-trimethyllysine	ME288092	0.94	1.06
N-Methylphenylalanine	ME288100	0.94	1.06
N-Methylisoleucine	ME288098	0.94	1.06
Methioninesulfoxide A	ME288079	0.94	1.06
gamma-Glutamylleucine	ME288045	0.94	1.06
Creatinine	ME288020	0.94	1.06
3-Methylhistidine	ME287974	0.94	1.06
Cetirizine	ME288012	0.94	1.06
Ser-Pro	ME288129	0.93	1.07
Ranitidine N-oxide	ME288123	0.93	1.07
N-Methylproline	ME288101	0.93	1.07
Hexanoyl-L-carnitine	ME288059	0.93	1.07
Hippuric acid	ME288060	0.93	1.07
Piperine	ME288113	1.01	0.99
Glutamine	ME288048	1.01	0.99
Dihydrocoumarin	ME288031	1.01	0.99
D3-DL-Aspartic acid iSTD	ME287940	1.01	0.99
4-Hydroxy-3-methoxymandelic acid	ME288033	1.01	0.99
Betonicine	ME288005	1.01	0.99
(+)-Pseudoephedrine	ME287952	1.00	1.00
Octadecanedioic acid	ME288103	1.00	1.00
Nicotinic acid	ME288094	1.00	1.00
Ethylhexanoate	ME288039	1.00	1.00
Ergothioneine	ME288036	1.00	1.00
D9-Betaine iSTD	ME287945	1.00	1.00
D3-DL-Alanine iSTD	ME287939	1.00	1.00
Corticosterone	ME288017	1.00	1.00
D3-AC(2:0) iSTD	ME287936	1.00	1.00
D9-TMAO iSTD	ME287950	0.97	1.03
D9-Caffeine iSTD	ME287947	0.97	1.03
D3-Creatine iSTD	ME287937	0.97	1.03
CUDA iSTD	ME287934	0.97	1.03
Carnitine	ME288011	0.97	1.03
4-Pyridoxate	ME287984	0.97	1.03
3^-O-Methylinosine	ME287975	0.97	1.03
3-Chlorotyrosine	ME287970	0.97	1.03
3,5-Dihydroxyphenylglycine	ME287968	0.97	1.03
1-Deoxy-1-(methylamino)-D-galactitol	ME287956	0.97	1.03
2-Pyridone	ME287967	0.97	1.03
Diphenylmethylphosphine oxide	ME288032	0.96	1.04
3-Aminotyrosine	ME287969	0.96	1.04
Deferiprone	ME288026	0.96	1.04
Urea	ME288143	0.98	1.02
Trimethoprim	ME288138	0.98	1.02
Taurine	ME288133	0.98	1.02
Proline	ME288114	0.98	1.02
N8-Acetylspermidine	ME288085	0.98	1.02
Kynurenine	ME288072	0.98	1.02
Desmethylranitidine	ME288121	0.98	1.02
D3-Histamine, N-methyl- iSTD	ME287942	0.98	1.02
Cytidine	ME288023	0.98	1.02
Carbamic acid, N-(2,2-diphenylacetyl)-, ethyl ester	ME288010	0.98	1.02
3-Indolepropionic acid	ME287973	0.98	1.02
6-Methoxynaphthaleneacetic acid	ME287988	0.98	1.02
N-Acetylhistidine	ME288087	0.99	1.01
Isobutylamine	ME288068	0.99	1.01
D3-Creatinine iSTD	ME287938	0.99	1.01
Creatine	ME288019	0.99	1.01
4-Hydroxybenzylcyanide	ME287979	0.99	1.01
beta-Alanine	ME288001	0.99	1.01
4-Picoline	ME287983	1.11	0.89
Pro-Pro	ME288116	1.11	0.89
Sucrose	ME288131	1.10	0.90
Nelfinavir	ME288091	1.10	0.90
Acetaminophen	ME287990	1.10	0.90
Linoleic acid	ME288074	1.10	0.90
N-Acetylsulfamethoxazole	ME288089	1.08	0.92
Caffeine	ME288009	1.09	0.91
N-Methylglutamic acid	ME288096	1.09	0.91
Sulfamethoxazole	ME288132	1.02	0.98
Glutathione (reduced)	ME288050	1.02	0.98
gamma-Glutamylglutamine	ME288044	1.02	0.98
D3-1-Methylnicotinamide iSTD	ME287935	1.02	0.98
6-Aminoindazole	ME287987	1.02	0.98
Citrulline	ME288015	1.02	0.98
Trimethylamine N-oxide	ME288139	1.03	0.97
Tocainide	ME288136	1.03	0.97
S-Adenosyl-methionine	ME288126	1.03	0.97
N-Methylaniline	ME288095	1.03	0.97
Naproxen	ME288090	1.03	0.97
Gly-Leu	ME288054	1.03	0.97
D9-Crotonobetaine iSTD	ME287949	1.03	0.97
D3-L-Carnitine iSTD	ME287943	1.03	0.97
D9-Butyrobetaine iSTD	ME287946	1.03	0.97
D3-DL-Glutamic acid iSTD	ME287941	1.06	0.94
Ranitidine	ME288122	1.04	0.96
N-epsilon-Acetyllysine	ME288093	1.04	0.96
Cortodoxone	ME288018	1.04	0.96
CocamidoprpylBetaine	ME288016	1.04	0.96
Choline	ME288013	1.04	0.96
(3-Carboxypropyl)trimethylammonium	ME287953	1.04	0.96
4-Trimethylammoniobutanoic acid	ME287985	1.04	0.96
Lauroyl-L-carnitine	ME288073	1.05	0.95
Indomethacin	ME288065	1.05	0.95
Homoserine	ME288063	1.05	0.95
Flavin-adenine-dinucleotide	ME288040	1.05	0.95
4-Acetamidobutyric acid	ME287976	1.05	0.95
Bisphenol A bis(2,3-dihydroxypropyl) ether	ME288008	1.05	0.95
Retinoic acid	ME288124	1.19	0.81
4-Aminobenzoic acid	ME287977	1.19	0.81
4-Methyl-5-thiazoleethanol?	ME287982	1.19	0.81
N-Acetyl-5-hydroxytryptamine	ME288086	1.18	0.82
5^-S-Methyl-5^-thioadenosine	ME287986	1.18	0.82
Didodecyl 3,3^-thiodipropionate	ME288028	1.18	0.82
Benzyldimethylstearylammonium cation	ME288000	1.14	0.86
trans-Nicotine-1^-oxide	ME288137	1.13	0.87
1-Methyladenosine B	ME287957	1.13	0.87
N2,N2-Dimethylguanosine	ME288084	1.13	0.87
Cytidine 5^-diphosphocholine	ME288025	1.15	0.85
Isomaltose	ME288070	1.16	0.84
2^-O-Methylcytidine	ME287966	1.16	0.84
Cytidine 5^-diphosphate ethanolamine	ME288024	1.16	0.84
beta-Homophenylalanine	ME288002	1.23	0.77
1-Methylguanosine	ME287958	1.24	0.76
Uridine 5^-monophosphate	ME288144	1.24	0.76
Phenylacetylglycine	ME288108	1.21	0.79
Propionylcarnitine	ME288115	1.22	0.78
Dihydro-4,4-dimethyl-2,3-furandione	ME288029	1.28	0.72
Guanine	ME288056	1.28	0.72
2^-Deoxyguanosine 5^-monophosphate	ME287963	1.26	0.74
UDP-galactose	ME288142	1.27	0.73
2-Methylbutyryl-L-carnitine	ME287965	1.27	0.73
4-Imidazoleacrylic acid	ME287981	1.27	0.73
Inosine	ME288066	1.34	0.66
Biliverdin	ME288006	1.30	0.70
cis-lambda-Viniferin	ME288014	1.30	0.70
Adenosine	ME287994	1.32	0.68
Uridine-5-diphosphoacetylglucosamine	ME288145	1.31	0.69
Glutathione (oxidized)	ME288049	1.31	0.69
(R)-Butyrylcarnitine	ME287954	1.31	0.69
Adenosine 5^-monophosphate	ME287995	1.52	0.48
beta-Nicotinamide adenine dinucleotide	ME288004	1.59	0.41
Erucamide	ME288037	1.56	0.44
Dehydrocholic acid	ME288027	1.46	0.54
Guanosine 5^-monophosphate	ME288057	1.40	0.60
8-Oxo-2-deoxyadenosine	ME287989	1.39	0.61
S-Adenosyl-homocysteine	ME288125	1.39	0.61

Factors:

F1	Group:Control
F2	Group:Methotrexate

Data matrix