Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolic effects of weight reduction of very low energy diet vs dietary counseling (Study ST000708)

Reversed phase POSITIVE ION MODE (Analysis AN001099)

Metabolite	Structure	F1	F2	F3	F4	F5
CHOLIC ACID (2M+NA)+	ME199451	NA	0.10	NA	0.07	3.73
24:0 SM (D18:1/24:0) (M+H)+	ME199437	NA	0.57	0.29	1.40	1.46
3-AMINOISOBUTYRIC ACID (M+H)+[-H2O]	ME199439	NA	0.46	0.30	1.66	1.41
ACETAMINOPHEN (TN TYLENOL) (M+H)+	ME199443	NA	NA	0.23	1.48	0.91
IBUPROFEN CARBOXYLIC ACID (M+H)+[-H2O]	ME199476	NA	0.01	0.03	1.25	1.31
DIPALMITOYL-GLYCEROL (M+H)+[-H2O]	ME199459	NA	1.92	0.82	0.99	0.67
N-METHYL-GLUTAMIC ACID (M+NA)+	ME199489	NA	1.92	0.43	0.96	1.07
GUANOSINE (M+H)+	ME199474	NA	1.26	0.39	0.75	1.62
18:0 LYSO-PE (2M+H)+	ME199434	NA	0.33	0.54	0.98	1.63
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+	ME199448	NA	0.68	1.09	0.79	1.41
PANTOTHENIC ACID (M+NA)+	ME199500	NA	0.80	1.08	0.75	1.36
RIBOFLAVIN (M+NA)+	ME199506	NA	0.69	0.32	1.04	1.51
BILIVERDIN (M+H)+	ME199447	NA	0.70	0.77	0.93	1.48
16:0 LYSO PC (M+H)+	ME199433	NA	0.91	0.71	0.94	1.32
KYNURENIC ACID (M+H)+	ME199481	NA	0.90	0.74	0.97	1.36
24:0 SM (D18:1/24:0) (M+NA)+	ME199438	NA	0.83	0.49	0.94	1.35
DECANOYLCARNITINE (*) (M+H)+	ME199454	NA	0.79	0.52	1.01	1.31
THEOPHYLLINE (M+NA)+	ME199513	NA	1.31	0.74	1.27	0.65
GLUCOSE (M+NA)+	ME199466	NA	1.22	0.59	1.35	0.74
THEOPHYLLINE (M+H)+	ME199512	NA	1.19	0.72	1.33	0.70
THEOBROMINE (M+NA)+	ME199511	NA	0.98	0.38	1.40	0.91
OCTENOYLCARNITINE (*) M+	ME199493	NA	1.11	0.47	1.05	1.21
ISOLEUCINE (M+H)+	ME199479	NA	0.87	0.63	1.27	1.09
PROGESTERONE (M+H)+	ME199503	NA	0.89	0.70	1.23	1.04
DECENOYLCARNITINE (*) (M+H)+	ME199455	NA	1.11	0.67	1.25	0.94
GLYCEROL MYRISTATE (M+H)+[-H2O]	ME199468	NA	1.17	0.67	1.17	0.87
LEUCINE (M+H)+	ME199482	NA	1.13	0.70	1.17	0.92
GLYCOCHOLIC ACID (M+NA)+	ME199473	NA	1.13	0.48	1.21	1.03
GLYCOCHOLIC ACID (M+H)+	ME199471	NA	1.17	0.56	1.15	1.00
GLYCOCHOLIC ACID (M+H)+[-H2O]	ME199472	NA	1.19	0.56	1.13	1.01
PROSTAGLANDIN E2 (M+H)+	ME199505	NA	0.70	0.99	1.23	1.07
THEOBROMINE (M+H)+	ME199510	NA	0.64	1.31	1.09	0.99
EICOSANOYLCARNITINE (*) (M+H)+	ME199462	NA	1.01	0.76	0.72	1.26
TAUROCHOLIC ACID (M+NA)+	ME199509	NA	1.14	0.96	0.82	1.27
2-AMINOBUTANOIC ACID (M+H)+	ME199436	NA	1.22	0.82	0.76	1.18
HEXANOYLCARNITINE (*) M+	ME199475	NA	1.18	0.86	0.89	1.06
DODECENOYLCARNITINE (*) II M+	ME199460	NA	1.41	0.89	0.76	0.97
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]	ME199469	NA	1.33	0.67	0.97	0.98
GLYCOCHENODEOXYCHOLIC ACID (M+NA)+	ME199470	NA	1.38	0.65	0.93	0.98
4-PYRIDOXIC ACID (M+NA)+	ME199441	NA	0.80	0.83	1.05	1.22
CITRIC ACID (M+NA)+	ME199453	NA	0.76	0.92	0.98	1.27
EDTA (M+NA)+	ME199461	NA	0.79	0.94	1.01	1.21
3-METHOXYTYROSINE (M+H)+	ME199440	NA	0.91	1.01	1.07	1.02
ALPHA-LINOLENIC ACID (M+NA)+	ME199445	NA	0.95	0.87	1.12	1.02
CHOLINE M+	ME199452	NA	0.99	0.92	1.03	1.04
URIC ACID (M+H)+	ME199517	NA	0.99	0.92	1.01	1.05
OLEOYL-GLYCEROL (M+H)+	ME199495	NA	1.06	0.86	0.86	1.17
ALPHA-TOCOPHEROL (M+H)+	ME199446	NA	1.00	0.96	0.91	1.12
DESMOSTEROL (M+H)+[-H2O]	ME199458	NA	0.92	0.90	0.90	1.22
ISO-BUTYRYLCARNITINE (*) (M+H)+	ME199478	NA	0.99	0.88	0.95	1.14
N-ACETYL-D-TRYPTOPHAN (M+NA)+	ME199487	NA	0.94	0.86	0.99	1.18
GLUCOSE (2M+NA)+	ME199465	NA	1.02	1.06	1.07	0.87
ORNITHINE (M+H)+	ME199499	NA	1.04	1.10	1.02	0.88
EPINEPHRINE (M+H)+	ME199463	NA	0.95	1.09	1.02	0.96
LYSINE (M+NA)+	ME199484	NA	0.97	1.10	1.00	0.95
BUTYRYLCARNITINE (*) (M+H)+	ME199449	NA	1.02	1.03	0.94	1.03
TRYPTOPHAN (M+NA)+	ME199514	NA	0.99	1.06	0.99	0.98
1-METHYLXANTHINE (M+H)+	ME199431	NA	1.03	1.04	0.97	0.98
1-METHYLXANTHINE (M+NA)+	ME199432	NA	1.01	1.03	0.99	0.98
LYSINE (M+H)+	ME199483	NA	0.94	1.20	0.98	0.94
ISOVALERYLCARNITINE (*) (M+H)+	ME199480	NA	0.84	1.22	0.96	1.02
DEHYDROEPIANDROSTERONE SULFATE M+[-HSO4]	ME199457	NA	0.88	1.09	0.95	1.04
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+	ME199507	NA	0.89	1.16	0.94	1.04
PHENYLALANINE (M+H)+	ME199501	NA	1.26	0.85	0.94	0.88
5-AMINOPENTANOIC ACID (M+H)+	ME199442	NA	1.21	1.12	0.83	0.92
URIDINE (M+NA)+	ME199518	NA	1.24	1.02	0.86	0.93
GLUTAMINE (M+NA)+	ME199467	NA	1.11	1.04	0.92	0.92
N-ACETYL-DL-SERINE (M+H)+[-H2O]	ME199488	NA	1.13	0.98	1.03	0.88
PROLINE (M+H)+	ME199504	NA	1.21	0.97	0.99	0.85
TYROSINE (M+H)+	ME199515	NA	1.19	1.00	0.97	0.87
PIPECOLIC ACID (M+H)+	ME199502	NA	1.31	1.27	0.81	0.82
2^-DEOXYGUANOSINE (M+H)+	ME199435	NA	1.14	1.21	0.97	0.77
TYROSINE (M+NA)+	ME199516	NA	1.20	1.21	0.85	0.76
INDOLE-3-ACETALDEHYDE (M+H)+	ME199477	NA	1.08	1.16	0.72	1.11
NAD (M+H)+	ME199490	NA	1.05	1.14	0.79	1.07
DEHYDROEPIANDROSTERONE (M+NA)+	ME199456	NA	1.02	1.35	0.82	0.99
N-ACETYL-D-GLUCOSAMINE (M+NA)+	ME199486	NA	0.94	1.47	0.71	1.01
NAPROXEN (M+H)+	ME199491	NA	1.77	2.50	0.03	0.04
METHYL JASMONATE (M+NA)+	ME199485	NA	1.31	1.76	0.69	0.66
SUCROSE (M+NA)+	ME199508	NA	1.09	1.84	0.85	0.51
EPINEPHRINE (M+H)+[-H2O]	ME199464	NA	0.89	2.58	0.92	0.57
CARNITINE (M+H)+	ME199450	NA	0.82	2.29	0.46	0.74
OLEAMIDE (M+H)+	ME199494	NA	0.97	2.18	0.47	1.00

Factors:

F1	GROUP:POOLED \| VISIT:POOLED
F2	GROUP:Standard \| VISIT:visit 1
F3	GROUP:Standard \| VISIT:visit 2
F4	GROUP:VLED \| VISIT:visit 1
F5	GROUP:VLED \| VISIT:visit 2

Data matrix