Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000713)

(Analysis AN001113)

Metabolite	Structure	F1	F2	F3	F4	F5
ACETAMINOPHEN (TN TYLENOL) (M-H)-	ME201286	0.32	1.30	3.15	0.12	NA
CITRIC ACID (M-H)-	ME201302	0.05	0.04	0.52	1.17	1.45
AZELAIC ACID (M-H)-	ME201292	1.66	0.50	0.95	0.73	1.50
ADIPIC ACID (M-H)-	ME201287	0.70	0.24	0.31	0.32	2.50
CITRAMALIC ACID (M-H)-	ME201301	0.04	0.25	0.74	1.04	1.61
CORTISOL (M+CL)-	ME201304	0.32	1.06	0.89	0.75	1.75
ARACHIDIC ACID (M-H)-	ME201290	0.49	0.61	0.69	1.09	1.23
CORTICOSTERONE (M+HCOO)-	ME201303	NA	0.69	0.80	0.56	1.75
CHOLIC ACID (M-H)-	ME201299	7.27	NA	NA	0.13	0.08
4-HYDROXYBENZOIC ACID (M-H)-	ME201279	0.86	NA	NA	0.55	2.05
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-	ME201274	0.63	0.77	1.35	0.90	1.28
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-	ME201277	1.01	0.59	0.45	0.33	2.83
5-HYDROXYTRYPTOPHAN (M-H)-	ME201283	0.61	NA	NA	0.42	1.78
CIS-11-EICOSENOIC ACID (M-H)-	ME201300	0.37	0.82	3.60	0.82	0.77
18:0 LYSO-PE (M-H)-	ME201272	0.32	0.14	1.24	1.38	0.51
3-(4-HYDROXYPHENYL)LACTIC ACID (2M-H)-	ME201275	0.38	NA	NA	0.56	1.65
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-	ME201276	1.82	0.17	0.64	0.72	1.59
BILIVERDIN (M-H)-	ME201296	0.96	0.06	NA	0.49	2.18
ARACHIDONIC ACID (M-H)-	ME201291	0.61	0.57	1.81	0.73	1.55
ALPHA-LINOLENIC ACID (M+HCOO)-	ME201289	0.56	1.30	1.05	0.88	1.27
4-PYRIDOXIC ACID (M-H)-	ME201281	1.52	NA	NA	0.40	2.27
2-DEOXY-D-GLUCOSE (M+CL)-	ME201273	NA	NA	0.90	0.92	1.13
1-METHYLXANTHINE (M-H)-	ME201269	0.78	3.36	1.90	0.48	0.77
16:0 LYSO PC (M+CL)-	ME201270	NA	0.10	0.26	1.82	NA
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
CORTISONE (M+CL)-	ME201305	2.31	0.68	0.45	1.02	0.82
ALPHA-HYDROXYISOBUTYRIC ACID (M-H)-	ME201288	1.03	1.53	0.33	0.96	1.10
5-OXOPROLINE (M-H)-	ME201284	0.28	0.21	0.13	0.39	3.01
BEHENIC ACID (M-H)-	ME201293	0.84	0.60	0.85	1.17	0.90
4-NITROPHENOL (M-H)-	ME201280	1.07	1.31	1.24	0.96	0.86
4-ACETAMINOPHEN SULFATE (M-H)-	ME201278	1.82	2.40	2.44	0.06	0.16
BENZOIC ACID (M-H)-	ME201295	0.43	0.28	0.48	1.34	1.04

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