Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolome, body composition, and muscle performance in children (Study ST000725)

Reversed phase NEGATIVE ION MODE (Analysis AN001136)

Metabolite	Structure	F1	F2
4-NITROPHENOL (M-H)-	ME204096	1.08	0.92
BILIVERDIN (M-H)-	ME204110	0.96	1.02
CHOLIC ACID (M-H)-	ME204112	0.48	1.30
16:0 LYSO PC (M+CL)-	ME204084	0.96	1.02
1-METHYLXANTHINE (M-H)-	ME204083	0.80	1.10
5-AMINOPENTANOIC ACID (M-H)-	ME204099	0.47	1.09
SUCROSE (M+CL)-	ME204202	0.44	1.19
5^-METHYLTHIOADENOSINE (M+CL)-	ME204098	0.94	1.03
HYODEOXYCHOLIC ACID (M-H)-	ME204144	0.67	1.19
ADIPIC ACID (M-H)-	ME204102	0.79	1.12
BETA-CAROTENE (M-H)-	ME204109	1.23	0.77
CIS-11-EICOSENOIC ACID (M-H)-	ME204113	0.92	1.04
24:0 SM (D18:1/24:0) (M+CL)-	ME204090	0.80	1.11
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-	ME204091	0.88	1.07
4-METHYL-2-OXOPENTANOIC ACID (M-H)-	ME204095	1.09	0.95
5-HYDROXYTRYPTOPHAN (M-H)-	ME204100	0.89	1.06
AZELAIC ACID (M-H)-	ME204107	0.89	1.07
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-	ME204088	1.12	0.93
5-OXOPROLINE (M-H)-	ME204101	1.05	0.96
ARACHIDIC ACID (M-H)-	ME204104	0.75	1.14
SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)-	ME204197	0.89	1.22
TAURINE (M-H)-	ME204203	0.79	1.14
TAUROLITHOCHOLIC ACID (M-H)-	ME204204	0.92	1.05
BEHENIC ACID (M-H)-	ME204108	0.65	1.20
2-DEOXY-D-GLUCOSE (M+CL)-	ME204087	0.31	1.20
CITRULLINE (M-H)-	ME204115	NA	1.00
CITRIC ACID (M-H)-	ME204114	1.04	0.98
STACHYOSE (M+CL)-	ME204198	1.64	0.84
SUBERIC ACID (M-H)-	ME204200	0.82	1.10
HIPPURIC ACID (M-H)-	ME204142	0.81	1.11
SUCCINIC ACID (M-H)-	ME204201	0.98	1.01
ARACHIDONIC ACID (M-H)-	ME204106	0.98	1.01
INOSINE 5^-PHOSPHATE (M-H)-	ME204148	0.91	1.05
PALMITIC ACID (M-H)-	ME204184	0.95	1.03
PALMITOLEIC ACID (M-H)-	ME204185	1.01	1.00
ALPHA-KETO-GLUTARIC ACID (M-H)-	ME204103	0.88	1.07
SEBACIC ACID (M-H)-	ME204196	0.64	1.21
1-METHYLURIC ACID (M-H)-	ME204082	0.58	1.21
SALICYLATE #2 (M-H)-	ME204195	0.94	1.04
HEXACOSANOIC ACID (M-H)-	ME204141	0.57	1.24
DEOXYCHOLIC ACID (M+CL)-	ME204125	1.11	0.94
LINOLEIC ACID (M-H)-	ME204158	0.94	1.03
DEHYDROEPIANDROSTERONE SULFATE (M-H)-	ME204122	1.32	0.82
DEOXYADENOSINE (M+CL)-	ME204123	1.07	0.96
LIGNOCERIC ACID (M-H)-	ME204157	0.66	1.19
DEHYDROASCORBIC ACID (M-H)-	ME204121	1.02	0.99
DEOXYCHOLIC ACID (2M-H)-	ME204124	1.23	0.81
N-ACETYL-L-ALANINE (M-H)-	ME204169	0.92	1.04
N-OLEOYLGLYCINE (M-H)-	ME204176	NA	1.00
N-NITROSODIETHANOLAMINE (M+CL)-	ME204175	0.75	1.25
3-METHOXYTYROSINE (M-H)-	ME204092	NA	1.00
N-ACETYLGLYCINE (M-H)-	ME204171	0.87	1.08
KYNURENINE (M-H)-	ME204152	0.79	1.12
LAURIC ACID (M-H)-	ME204156	0.94	1.03
4-PYRIDOXIC ACID (M-H)-	ME204097	0.76	1.14
GLUCOSE (M+CL)-	ME204134	1.26	0.85
STEARIC ACID (M-H)-	ME204199	0.92	1.04
16:0-18:0 PC (M+CL)-	ME204085	0.93	1.04
CORTISONE (M+CL)-	ME204118	1.03	0.98
GLUTATHIONE (OXIDIZED) (M-H)-	ME204137	1.01	0.99
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-	ME204155	0.98	1.01
CHOLIC ACID (M+CL)-	ME204111	0.45	1.36
ARACHIDONATE #2 (M-H)-	ME204105	NA	1.00
CORTICOSTERONE (M+CL)-	ME204116	1.06	0.97
LYSINE (M-H)-	ME204159	1.11	0.92
PHYTANIC ACID (M-H)-	ME204188	0.85	1.09
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-	ME204154	1.00	1.00
MALEIC ACID (M-H)-	ME204160	1.05	0.96
MYRISTIC ACID (M-H)-	ME204164	0.95	1.03
METHIONINE (M-H)-	ME204163	0.85	1.23
PIMELIC ACID (M-H)-	ME204189	0.93	1.07
HEPTADECANOIC ACID (M-H)-	ME204140	0.91	1.05
ISOLEUCINE (M-H)-	ME204150	1.06	0.96
N-ETHYLMALEIMIDE (M-H)-	ME204174	0.84	1.04
GLYCOCHOLIC ACID (M-H)-	ME204139	0.65	1.20
N-AMIDINO-ASPARTIC ACID (M+CL)+[-H2O]	ME204173	1.10	0.90
MYRISTOLEIC ACID (M-H)-	ME204165	1.04	0.98
NERVONIC ACID (M-H)-	ME204178	0.82	1.10
DOCOSAHEXAENOIC ACID (M-H)-	ME204129	1.11	0.94
N-ACETYL-D-TRYPTOPHAN (M-H)-	ME204167	0.94	1.02
MALIC ACID (M-H)-	ME204161	0.94	1.03
DEOXYCHOLIC ACID (M-H)-	ME204126	0.95	1.03
DECANOIC ACID (M-H)-	ME204120	0.84	1.08
N-ACETYL-D-GLUCOSAMINE (M+CL)-	ME204166	0.98	1.02
N-ACETYL-DL-METHIONINE (M-H)-	ME204168	0.81	1.11
MANDELIC ACID (M-H)-	ME204162	NA	1.00
3-METHYLXANTHINE (M-H)-	ME204094	0.64	1.29
PANTOTHENIC ACID (M-H)-	ME204186	0.89	1.06
OXALOACETIC ACID (M-H)-[-H2O]	ME204183	0.98	1.01
PHENYLALANINE (M-H)-	ME204187	0.98	1.01
ERUCIC ACID (M-H)-	ME204132	0.67	1.19
ISOCITRIC ACID (M-H)-	ME204149	0.61	1.22
NAD (M-H)-	ME204177	0.81	1.14
N-ACETYLNEURAMINIC ACID (M-H)-	ME204172	1.48	0.81
RIBOSE (M+CL)-	ME204193	NA	1.00
18:0 LYSO-PE (M-H)-	ME204086	0.86	1.08
O-SUCCINYL-L-HOMOSERINE (M-H)-	ME204179	1.28	0.86
OXALIC ACID (M-H)-	ME204182	0.91	1.09
EPIBRASSINOLIDE [ISTD] (M+CL)-	ME204131	0.97	1.02
N-ACETYL-L-PHENYLALANINE (M-H)-	ME204170	NA	1.00
OLEIC ACID (M-H)-	ME204180	0.94	1.03
ORNITHINE (M-H)-	ME204181	1.00	NA
RIBOFLAVIN (M-H)-	ME204192	NA	1.00
RIBOSE 5-PHOSPHATE (M-H)-	ME204194	NA	1.00
L-HISTIDINE (M-H)-	ME204153	1.08	0.95
GLYCOCHOLIC ACID (2M-H)-	ME204138	NA	1.00
KYNURENIC ACID (M-H)-	ME204151	0.85	1.05
INOSINE 5^-DIPHOSPHATE (M-H)-	ME204147	1.27	0.82
PROSTAGLANDIN E2 (M+CL)-	ME204190	NA	1.00
DUMP (M-H)-	ME204130	1.22	0.88
RAFFINOSE (M+CL)-	ME204191	1.02	0.99
INOSINE (M-H)-	ME204146	1.28	0.86
HOMOVANILLIC ACID (2M-H)-	ME204143	0.96	1.02
GLUTAMINE (M-H)-	ME204135	0.89	1.06
DEOXYURIDINE (M+CL)-	ME204127	NA	1.00
GERANYLGERANYL DIPHOSPHATE (M-H)-	ME204133	0.79	1.28
GLUTARIC ACID (M-H)-	ME204136	1.58	0.90
DEOXYURIDINE (M-H)-	ME204128	0.85	1.15
2-HYDROXYBUTYRIC ACID (M-H)-	ME204089	1.07	0.96
CORTISOL (M+CL)-	ME204117	1.02	0.99
CREATINE (M-H)-	ME204119	1.00	NA
3-METHYL-2-OXOPENTANOIC ACID (M-H)-	ME204093	1.12	0.93
HYPOXANTHINE (M-H)-	ME204145	0.83	1.10

Factors:

F1	gender:Female
F2	gender:Male

Data matrix