Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Cocaine administration and withdrawal (part II) (Study ST000555)

UHPLC NEGATIVE ION MODE (Analysis AN000852)

Metabolite	Structure	F1	F2	F3	F4
Xylenesulfonate	ME166747	0.69	0.54	0.51	2.27
Docosahexaenoic Acid (22:6)	ME166679	0.54	0.09	0.80	2.57
Arachidonic Acid (20:4)	ME166666	0.53	0.13	0.94	2.40
Plasmenyl-LysoPE (P-18:1)	ME166730	0.52	0.20	0.87	2.42
Linoleic Acid (18:2)	ME166700	0.50	0.28	0.92	2.30
LysoPE (20:4)	ME166712	0.47	0.26	1.01	2.26
LysoPE (18:1)_R1	ME166710	0.48	0.59	1.08	1.85
LysoPE (22:6)	ME166713	0.51	0.31	1.03	2.14
LysoPE (18:0)	ME166709	0.46	0.38	0.99	2.16
Mono-(2-Ethylhexyl) Phthalate Dimer	ME166715	0.51	0.37	0.96	2.16
LysoPC (18:1)	ME166707	0.48	0.44	1.05	2.03
LysoPE (16:0)	ME166708	0.39	0.45	1.02	2.13
LysoPE (18:1)_R2	ME166711	1.32	2.00	0.52	0.17
Ascorbic acid	ME166667	0.40	1.42	1.35	0.83
4-Dodecylbenzenesulfonate	ME166660	0.65	0.71	1.11	1.53
HOMOVANILLATE	ME166693	0.93	0.96	1.17	0.94
GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE	ME166690	0.81	1.01	1.18	1.00
ISOCITRIC ACID	ME166695	0.85	1.06	1.16	0.93
URATE	ME166744	0.81	0.91	1.09	1.19
ADENINE	ME166663	0.88	0.95	1.00	1.16
GLYCERIC ACID	ME166689	0.84	0.97	1.04	1.16
GLUTATHIONE	ME166687	1.02	0.85	1.06	1.07
3-HYDROXY-3-METHYLGLUTARATE	ME166656	0.95	0.94	1.02	1.08
SUCCINATE	ME166735	0.93	0.91	1.08	1.08
N-ACETYL-L-ALANINE	ME166718	0.86	1.08	0.95	1.11
THREONINE/HOMOSERINE	ME166740	0.90	1.18	0.92	1.01
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE	ME166684	1.05	1.02	0.85	1.08
Sulfoacetaldehyde	ME166737	1.01	0.97	0.87	1.15
LEUCINE	ME166697	0.99	1.11	0.84	1.06
L-ISOLEUCINE	ME166701	0.99	1.14	0.84	1.03
L-GLUTAMINE	ME166699	1.02	1.11	0.90	0.97
SARCOSINE/BETA-ALANINE_R2	ME166734	1.03	1.10	0.91	0.95
GLYCERALDEHYDE/LACTATE	ME166688	1.01	1.06	0.91	1.03
AZELAIC ACID	ME166669	1.05	1.04	0.92	1.00
GLYCOLATE	ME166691	1.05	1.04	0.93	0.99
L-TYROSINE	ME166705	0.89	1.04	1.05	1.02
LL-2,6-DIAMINOHEPTANEDIOATE	ME166702	0.92	1.04	1.03	1.01
MALATE	ME166714	0.92	1.02	1.02	1.04
XANTHINE	ME166746	0.90	1.04	1.02	1.04
N-METHYL-L-GLUTAMATE	ME166729	0.85	1.00	1.10	1.05
Fumaric Acid	ME166683	0.88	1.02	1.05	1.05
ALPHA-HYDROXYISOBUTYRIC ACID	ME166665	0.88	0.99	1.07	1.07
N-ACETYL-DL-GLUTAMIC ACID	ME166717	0.86	1.01	1.07	1.06
ASPARTATE	ME166668	1.00	1.07	0.95	0.98
ETHYLMALONIC ACID	ME166682	1.01	1.08	0.96	0.96
4-GUANIDINOBUTANOATE	ME166661	0.97	1.06	0.98	0.98
L-2-PHOSPHOGLYCERIC ACID	ME166696	0.98	1.05	1.01	0.97
3-tert-Butyladipic acid	ME166659	0.96	1.12	0.98	0.95
4-oxoproline	ME166662	0.96	1.11	0.96	0.98
URACIL	ME166743	0.92	1.08	0.99	1.00
N-Acetylaspartylglutamic acid	ME166716	0.94	1.09	1.00	0.97
NICOTINAMIDE	ME166728	0.92	1.08	1.03	0.97
3-SULFINO-L-ALANINE	ME166658	1.06	0.95	0.97	1.01
D-RIBOSE 5-PHOSPHATE/RIBULOSE 5-PHOSPHATE	ME166680	1.03	1.03	0.99	0.95
2-AMINOETHYL DIHYDROGEN PHOSPHATE	ME166655	1.02	0.97	1.01	1.00
TAURINE	ME166739	1.02	0.98	0.98	1.02
N-BOC-L-Aspartic Acid_R2	ME166723	1.06	1.00	0.97	0.96
CITRIC ACID-13C6	ME166674	1.04	0.98	0.99	0.99
Tryptophan-2,3,3-D3	ME166742	1.04	0.99	0.99	0.98
N-BOC-L-Aspartic Acid_R1	ME166722	1.04	1.00	0.98	0.98
SUCCINIC ACID-13C4	ME166736	1.04	0.99	0.98	0.98
N-ACETYLNEURAMINATE	ME166720	1.01	1.00	0.99	1.00
L-Tryptophan-13C11	ME166704	1.03	1.01	0.98	0.98
N-BOC-L-tert-Leucine_R1	ME166724	1.02	1.01	0.99	0.98
N-BOC-L-tert-Leucine_R2	ME166725	1.02	1.01	0.99	0.99
CITRATE	ME166673	0.97	1.03	1.05	0.96
PYRIDOXAL	ME166731	0.96	1.04	1.05	0.96
GLUCOSE/FRUCTOSE_R2	ME166686	0.98	1.01	1.05	0.96
GLUCOSE/FRUCTOSE_R1	ME166685	0.97	1.00	1.05	0.98
N-AMIDINO-L-ASPARTATE	ME166721	0.97	1.01	1.03	0.98
Tryptophan	ME166741	0.96	1.04	0.97	1.03
URIDINE	ME166745	0.93	1.03	0.99	1.05
CREATINE	ME166676	0.95	1.00	1.03	1.02
L-GLUTAMIC ACID	ME166698	0.95	0.98	1.04	1.03
L-Phenylalanine-13C6	ME166703	0.99	1.00	1.00	1.01
Salicylic Acid-D4	ME166732	0.99	0.99	1.00	1.02
N-ACETYL-L-ASPARTIC ACID	ME166719	0.98	1.00	1.02	1.00
SARCOSINE/BETA-ALANINE_R1	ME166733	0.97	0.99	1.03	1.01
BOC-L-Tyrosine_R1	ME166670	0.97	1.03	1.00	1.00
ALDOPENTOSE	ME166664	0.98	1.02	1.01	1.00
BOC-L-Tyrosine_R2	ME166671	0.98	1.02	1.00	1.00
L-Tyrosine-13C6	ME166706	0.97	1.00	1.00	1.02
HYPOXANTHINE	ME166694	0.96	1.02	1.00	1.02
N-BOC-L-Tryptophan_R1	ME166726	0.96	1.01	0.99	1.03
N-BOC-L-Tryptophan_R2	ME166727	0.97	1.01	0.99	1.03
3-methyladipic acid	ME166657	1.01	1.11	0.99	0.88
CYTIDINE	ME166677	0.92	1.15	1.02	0.91
CITRAMALATE	ME166672	0.88	1.10	1.06	0.95
TARTARIC ACID	ME166738	0.89	1.12	1.04	0.95
CMP	ME166675	1.16	0.88	0.98	0.98
Guanosine	ME166692	1.15	0.83	1.01	1.01
DIHYDROXYACETONE PHOSPHATE	ME166678	1.19	1.05	0.97	0.80
D-SACCHARIC ACID	ME166681	1.09	1.01	1.05	0.84

Factors:

F1	treatment:acute
F2	treatment:acute control
F3	treatment:withdrawal
F4	treatment:withdrawal control

Data matrix