Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000713)

(Analysis AN001113)

Metabolite	Structure	F1	F2	F3	F4	F5
4-HYDROXYBENZOIC ACID (M-H)-	ME201279	0.86	NA	NA	0.55	2.05
16:0 LYSO PC (M+HCOO)-	ME201271	0.63	0.27	0.55	1.61	0.71
1-METHYLURIC ACID (M-H)-	ME201268	0.96	1.19	0.46	1.08	1.07
INOSINE (M-H)-	ME201334	0.57	0.79	4.02	0.74	0.45
GLUTARIC ACID (M-H)-	ME201321	4.12	0.09	0.85	0.73	0.68
HYODEOXYCHOLIC ACID (M-H)-	ME201330	1.18	1.00	0.46	1.26	0.59
DOCOSAHEXAENOIC ACID (M-H)-	ME201312	0.38	0.58	3.45	0.70	1.13
4-PYRIDOXIC ACID (M-H)-	ME201281	1.52	NA	NA	0.40	2.27
DEOXYCHOLIC ACID (M-H)-	ME201309	3.70	NA	NA	0.66	0.44
CIS-11-EICOSENOIC ACID (M-H)-	ME201300	0.37	0.82	3.60	0.82	0.77
CHOLIC ACID (M-H)-	ME201299	7.27	NA	NA	0.13	0.08
ERUCIC ACID (M-H)-	ME201315	0.95	0.60	0.97	1.00	1.16
ARACHIDIC ACID (M-H)-	ME201290	0.49	0.61	0.69	1.09	1.23
AZELAIC ACID (M-H)-	ME201292	1.66	0.50	0.95	0.73	1.50
GLYCERIC ACID (M-H)-	ME201323	1.89	0.08	0.80	0.99	1.09
ALPHA-HYDROXYISOBUTYRIC ACID (M-H)-	ME201288	1.03	1.53	0.33	0.96	1.10
GLYCOCHOLIC ACID (M-H)-	ME201325	0.58	0.03	0.05	0.19	3.40
INDOLE-3-ACETIC ACID (M-H)-	ME201333	1.27	0.56	NA	0.86	1.29
FUMARIC ACID (M-H)-	ME201317	1.08	0.54	1.51	1.23	0.71
LIGNOCERIC ACID (M-H)-	ME201344	0.65	0.87	0.97	1.18	0.80
BILIVERDIN (M-H)-	ME201296	0.96	0.06	NA	0.49	2.18
18:0 LYSO-PE (M-H)-	ME201272	0.32	0.14	1.24	1.38	0.51
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-	ME201276	1.82	0.17	0.64	0.72	1.59
HEXACOSANOIC ACID (M-H)-	ME201328	0.90	0.88	0.61	1.15	0.86
INOSINE 5^-DIPHOSPHATE (M-H)-	ME201335	NA	NA	0.33	1.37	0.56
DEOXYADENOSINE (M+CL)-	ME201307	NA	1.54	1.30	0.16	NA
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-	ME201342	0.13	1.36	1.49	1.10	0.81
5-OXOPROLINE (M-H)-	ME201284	0.28	0.21	0.13	0.39	3.01
KYNURENIC ACID (M-H)-	ME201339	1.86	NA	NA	0.87	0.63
LAURIC ACID (M-H)-	ME201343	0.61	1.01	1.34	0.56	1.89
CITRIC ACID (M-H)-	ME201302	0.05	0.04	0.52	1.17	1.45
ISOLEUCINE (M-H)-	ME201338	0.35	0.72	0.36	1.10	1.36
CITRAMALIC ACID (M-H)-	ME201301	0.04	0.25	0.74	1.04	1.61
HEPTADECANOIC ACID (M-H)-	ME201327	0.73	1.22	0.73	0.92	1.26
DEOXYCHOLIC ACID (M+CL)-	ME201308	2.27	NA	NA	0.24	0.49
4-ACETAMINOPHEN SULFATE (M-H)-	ME201278	1.82	2.40	2.44	0.06	0.16
5-HYDROXYTRYPTOPHAN (M-H)-	ME201283	0.61	NA	NA	0.42	1.78
DEOXYURIDINE (M+CL)-	ME201310	3.19	NA	0.77	0.39	0.63
ARACHIDONIC ACID (M-H)-	ME201291	0.61	0.57	1.81	0.73	1.55
CORTISONE (M+CL)-	ME201305	2.31	0.68	0.45	1.02	0.82
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-	ME201277	1.01	0.59	0.45	0.33	2.83
CORTISOL (M+CL)-	ME201304	0.32	1.06	0.89	0.75	1.75
4-NITROPHENOL (M-H)-	ME201280	1.07	1.31	1.24	0.96	0.86
ETHYLMALONIC ACID (M-H)-	ME201316	2.22	NA	NA	0.48	0.30
DEHYDROASCORBIC ACID (M-H)-	ME201306	1.87	NA	NA	0.55	1.04
CORTICOSTERONE (M+HCOO)-	ME201303	NA	0.69	0.80	0.56	1.75
16:0 LYSO PC (M+CL)-	ME201270	NA	0.10	0.26	1.82	NA
BENZOIC ACID (M-H)-	ME201295	0.43	0.28	0.48	1.34	1.04
1-METHYLXANTHINE (M-H)-	ME201269	0.78	3.36	1.90	0.48	0.77
2-DEOXY-D-GLUCOSE (M+CL)-	ME201273	NA	NA	0.90	0.92	1.13
ACETAMINOPHEN (TN TYLENOL) (M-H)-	ME201286	0.32	1.30	3.15	0.12	NA
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-	ME201274	0.63	0.77	1.35	0.90	1.28
BEHENIC ACID (M-H)-	ME201293	0.84	0.60	0.85	1.17	0.90
ALPHA-LINOLENIC ACID (M+HCOO)-	ME201289	0.56	1.30	1.05	0.88	1.27
ISOCITRIC ACID (M-H)-	ME201337	1.11	0.19	0.68	1.15	1.09
GLUTAMINE (M-H)-	ME201320	NA	1.11	NA	0.68	1.28
GLYCOLITHOCHOLIC ACID (M-H)-	ME201326	0.92	0.07	NA	1.19	1.22
EPIBRASSINOLIDE [ISTD] (M+CL)-	ME201314	0.89	0.85	1.01	1.02	1.06
L-HISTIDINE (M-H)-	ME201340	0.13	0.47	0.15	1.67	1.08
ADIPIC ACID (M-H)-	ME201287	0.70	0.24	0.31	0.32	2.50
GLUCOSE (M+CL)-	ME201319	3.89	1.02	2.21	0.44	0.75
HYPOXANTHINE (M-H)-	ME201331	0.44	0.71	3.58	0.93	0.31
3-(4-HYDROXYPHENYL)LACTIC ACID (2M-H)-	ME201275	0.38	NA	NA	0.56	1.65
HIPPURIC ACID (M-H)-	ME201329	1.46	1.11	0.68	0.99	0.93

Factors:

F1	level of dysplasia:HGD \| malignant transformation:No
F2	level of dysplasia:HGD & PDA \| malignant transformation:yes
F3	level of dysplasia:HGD & PDA \| malignant transformation:Yes
F4	level of dysplasia:LGD \| malignant transformation:No
F5	level of dysplasia:N/A \| malignant transformation:No

Data matrix