Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000708)

(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