Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for LC-MS Based Approaches to Investigate Metabolomic Differences in the Plasma of Young Women after Drinking Cranberry Juice or Apple Juice (Study ST000292)

ESI Negative mode (Analysis AN000467)

Metabolite	Structure	F1	F2	F3
Catechol Sulfate	ME107600	0.38	0.51	2.12
2-Hydroxyhippuric acid	ME107580	0.47	0.60	1.93
N-METHYL-L-GLUTAMATE_1	ME107647	0.53	0.61	1.86
Vanilloloside	ME107662	0.04	0.07	2.89
Vanilloylglycine	ME107663	0.25	0.30	2.44
Ferulic acid sulfate	ME107607	0.12	0.22	2.66
Pimelic Acid	ME107651	0.20	0.19	2.62
HEXOSE ALCOHOL	ME107614	1.62	0.93	0.44
N-ACETYL-L-LEUCINE	ME107645	0.79	0.92	1.28
3-(2-HYDROXYPHENYL)PROPANOATE	ME107582	0.68	0.85	1.47
MEVALOLACTONE	ME107635	0.70	0.80	1.50
GLYCOCHOLATE	ME107612	0.66	1.09	1.25
MALATE_2	ME107631	0.68	1.08	1.24
CITRAMALATE_2	ME107602	0.75	1.11	1.14
METHYLMALONATE	ME107634	0.69	1.18	1.13
N-ACETYL-L-ASPARTIC ACID_3	ME107644	0.72	1.18	1.10
4-PYRIDOXATE	ME107589	1.03	1.12	0.85
UROCANATE	ME107661	1.01	1.14	0.85
CREATINE	ME107604	0.91	1.23	0.86
GLYCERIC ACID	ME107611	0.89	1.27	0.84
MALATE_1	ME107630	0.89	1.26	0.85
3-UREIDOPROPIONATE	ME107585	0.80	1.02	1.17
CAFFEATE	ME107599	0.84	1.01	1.15
Xylenesulfonate	ME107665	0.85	1.04	1.12
N-ACETYL-D-MANNOSAMINE	ME107639	0.89	1.06	1.05
L-GLUTAMIC ACID	ME107621	0.87	1.05	1.08
ETHYLMALONIC ACID	ME107606	0.86	1.07	1.07
GUANINE	ME107613	0.85	1.06	1.09
L-ISOLEUCINE	ME107625	0.80	1.15	1.05
URIDINE	ME107660	0.82	1.12	1.06
MALEIC ACID	ME107632	0.80	1.09	1.11
N-ACETYL-L-ASPARTIC ACID_1	ME107642	0.83	1.09	1.08
ISOCITRIC ACID	ME107617	0.98	0.98	1.05
N-ACETYL-DL-SERINE	ME107638	0.97	0.98	1.05
3-SULFINO-L-ALANINE	ME107584	0.94	1.01	1.05
5-OXO-L-PROLINE_1	ME107590	0.93	0.98	1.09
L-CARNITINE	ME107618	0.94	0.99	1.07
L-VALINE	ME107628	0.93	1.04	1.02
LEUCINE	ME107620	0.96	1.01	1.02
L-TYROSINE	ME107627	0.97	1.01	1.02
Phenylalanine	ME107650	0.97	1.01	1.02
L-GLUTAMINE	ME107622	0.98	1.00	1.02
N-ACETYL-L-ALANINE	ME107641	0.99	1.00	1.01
ASPARAGINE	ME107595	0.96	1.03	1.01
L-HISTIDINE	ME107623	0.98	1.04	0.99
ASPARTATE	ME107596	0.90	1.08	1.02
L-SERINE	ME107626	0.90	1.09	1.01
THREONINE/HOMOSERINE	ME107656	0.92	1.09	0.99
XANTHINE	ME107664	0.91	1.11	0.99
N-ACETYL-L-ASPARTIC ACID_2	ME107643	0.94	1.10	0.95
URATE	ME107659	0.94	1.07	0.99
GLUCOSE/FRUCTOSE [M+Cl]-	ME107609	0.95	1.08	0.97
TAURINE	ME107655	0.94	1.08	0.98
C6H12O6-HEXOSE/KETOSE/INOSITOL	ME107598	0.90	1.15	0.95
ALDOPENTOSE	ME107592	0.88	1.13	0.99
GLUTARATE	ME107610	0.86	1.13	1.01
N-FORMYLGLYCINE	ME107646	0.84	1.13	1.02
5-OXO-L-PROLINE_2	ME107591	1.02	0.88	1.11
ALLANTOIN	ME107593	1.01	0.91	1.08
HYPOXANTHINE	ME107615	1.09	1.04	0.87
N-ACETYLGLYCINE	ME107640	1.05	1.04	0.91
N-METHYL-L-GLUTAMATE_2	ME107648	1.04	1.04	0.92
Mono-(2-Ethylhexyl) Phthalate	ME107636	1.06	0.94	1.00
LysoPE (18:1)	ME107629	1.09	0.96	0.95
4-METHYL-2-OXO-PENTANOIC ACID	ME107588	1.07	0.96	0.97
Docosahexaenoic Acid (22:6)	ME107605	1.08	0.96	0.96
Salicylic Acid-D4	ME107652	1.02	0.98	1.00
Tryptophan	ME107657	1.01	1.00	0.99
CITRAMALATE_1	ME107601	1.00	1.04	0.96
Mono-(2-Ethylhexyl) Phthalate Dimer	ME107637	1.04	1.01	0.96
Tryptophan-2,3,3-D3	ME107658	1.03	1.01	0.96
BENZOATE	ME107597	1.24	0.79	0.97
Arachidonic Acid (20:4)	ME107594	1.22	0.85	0.93
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE	ME107608	1.17	0.87	0.97
CITRULLINE	ME107603	1.18	0.92	0.90
MALONATE	ME107633	1.17	0.95	0.89
4-HYDROXYBENZALDEHYDE_1	ME107586	1.21	0.99	0.79
P-Cresol Sulfate	ME107649	1.22	0.96	0.81
INDOLE-3-ACETATE	ME107616	1.16	0.64	1.20
L-Cysteine-S-Sulfate	ME107619	1.18	0.66	1.16
4-HYDROXYBENZALDEHYDE_2	ME107587	1.13	0.78	1.09
2-HYDROXYPHENYLACETIC ACID	ME107581	1.09	0.71	1.20
3,4-DIHYDROXYPHENYLACETATE	ME107583	1.06	0.77	1.17
Linoleic Acid (18:2)	ME107624	1.33	0.55	1.12
S-CARBOXYMETHYL-L-CYSTEINE	ME107653	1.28	0.67	1.05
Sulfoacetaldehyde	ME107654	1.29	0.70	1.01

Factors:

F1	Treatment :Baseline plasma
F2	Treatment :Plasma after drinking apple juice
F3	Treatment :Plasma after drinking cranberry juice

Data matrix