Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Aspirin Metabolomics in Colorectal Cancer Chemoprevention (part 1 - Colon) (Study ST001091)

Reversed phase NEGATIVE ION MODE (Analysis AN001777)

Metabolite	Structure	F1	F2	F3	F4	F5
Guanosine diphosphate mannose	ME264043	0.56	0.58	1.58	0.11	0.75
Phosphocreatine	ME264025	0.51	0.53	2.20	0.40	0.48
Oxalic acid	ME263976	1.06	0.83	2.43	0.18	0.82
Adenosine 35-diphosphate	ME264036	0.92	0.86	1.96	0.22	0.89
3-Phosphoglyceric acid	ME264017	0.92	0.63	2.20	0.06	0.65
Adenosine diphosphate ribose	ME264040	0.73	0.77	2.04	NA	0.74
Caffeic acid	ME264014	1.45	1.26	0.25	0.22	0.72
Quinic acid	ME264022	1.64	1.34	0.19	0.28	0.66
Glycocholic acid	ME264038	1.18	1.38	0.03	0.10	1.33
6-Phosphogluconic acid	ME264032	1.03	1.06	0.71	0.22	1.24
N-Formyl-L-methionine	ME264013	1.24	1.03	0.82	0.31	1.15
Hypoxanthine	ME263987	1.16	1.17	0.75	0.15	1.11
Ureidopropionic acid	ME263984	1.15	1.05	0.66	0.19	1.10
Glutamine	ME263990	1.13	1.08	0.74	0.25	1.12
Guanine	ME263996	1.13	1.04	0.79	0.29	1.05
Guanosine diphosphate	ME264037	1.12	1.08	0.48	0.36	1.15
Uridine diphosphate glucose	ME264041	1.06	1.07	0.56	0.40	1.17
Histidine	ME264000	1.14	1.07	0.51	0.53	1.07
Mevalonic acid	ME263994	1.23	1.00	0.64	0.55	1.01
FAD	ME264045	1.14	1.11	0.42	0.11	1.09
Pantothenic acid	ME264027	1.19	1.17	0.43	0.14	1.11
Uridine	ME264029	1.15	1.15	0.43	0.17	1.10
Guanosine monophosphate	ME264035	1.11	1.14	0.32	0.25	1.16
trans-Aconitic acid	ME264008	1.14	1.17	0.38	0.19	1.18
Glyceric acid	ME263979	1.30	1.21	0.31	0.25	1.10
Serine	ME263978	1.24	1.13	0.31	0.21	1.12
Uracil	ME263981	1.33	1.13	0.28	0.21	1.13
All-trans-retinoic acid	ME264034	1.13	1.04	0.21	0.30	1.15
Phenylalanine	ME264006	1.17	1.04	0.27	0.32	1.14
Tyrosine	ME264015	1.15	1.04	0.28	0.37	1.12
trans-Cinnamic acid	ME263993	1.24	1.09	0.31	0.32	1.14
Aspartic acid	ME263985	1.19	1.12	0.38	0.31	1.09
Lysine	ME263991	1.18	1.14	0.30	0.34	1.10
Xanthine	ME263997	1.20	1.08	0.22	0.18	1.15
Methionine	ME263995	1.16	1.00	0.28	0.22	1.05
N-Alpha-acetyllysine	ME264018	1.25	1.04	0.23	0.25	1.04
DL-O-Phosphoserine	ME264016	1.33	0.91	0.51	0.36	0.95
Citrulline	ME264012	1.31	1.03	0.43	0.27	1.02
Diaminopimelic acid	ME264021	1.31	1.14	0.43	0.30	1.04
Stachyose	ME264044	1.14	1.02	0.34	0.71	1.08
Gamma-Linolenic acid	ME264033	1.25	1.14	0.18	0.63	1.10
Myristic acid	ME264028	1.31	1.19	0.24	0.44	1.08
Palmitoleic acid	ME264030	1.28	1.20	0.12	0.42	1.07
Kynurenic acid	ME264019	0.99	1.04	1.52	0.45	1.18
Aminoadipic acid	ME264003	1.08	0.89	1.56	0.29	0.96
Cytidine triphosphate	ME264039	1.00	0.90	1.58	0.29	0.85
N-Acetyl-L-aspartic acid	ME264011	0.99	1.03	1.44	0.17	1.03
ADP-glucose	ME264042	1.01	0.88	1.42	0.16	0.93
Hydroxypyruvic acid	ME263977	1.09	0.88	1.41	0.26	1.01
N-Acetylglutamic acid	ME264020	1.35	0.91	0.90	0.33	0.93
Gluconic acid	ME264023	1.31	0.91	1.14	0.25	0.85
Shikimic acid	ME264009	1.26	1.09	1.06	0.38	0.81
Adenosine	ME264031	1.12	1.03	0.93	0.27	0.97
Citramalic acid	ME263992	1.03	1.06	1.03	0.20	1.04
Pyrrole-2-carboxylic acid	ME263980	1.12	1.11	1.07	0.22	1.09
Pyruvic acid	ME263975	1.16	1.08	1.09	0.20	1.05
N-Acetylasparagine	ME264010	1.09	1.00	1.32	0.48	1.02
3-Sulfinoalanine	ME263998	0.99	1.01	1.26	0.27	0.99
Acetylcysteine	ME264005	1.13	1.02	1.18	0.35	1.08
Adenine	ME263986	0.97	0.93	1.63	0.76	0.93
Imidazoleacetic acid	ME263983	1.00	0.88	1.41	1.04	0.92
3-Hydroxymethylglutaric acid	ME264004	0.97	0.93	1.16	1.19	0.93
Indoleacetaldehyde	ME264001	0.91	0.96	0.93	1.35	1.00
Creatinine	ME263982	1.09	1.04	0.82	0.78	1.06
Dethiobiotin	ME264026	1.00	0.83	1.04	0.96	1.17
Dopamine	ME263999	1.01	1.08	1.03	0.84	0.96
5-Hydroxymethyluracil	ME263988	1.01	0.95	1.02	1.05	1.00
Oxoadipic acid	ME264002	1.11	0.94	0.97	0.93	1.00
Uric acid	ME264007	0.75	0.81	1.05	2.27	0.80
Oxoglutaric acid	ME263989	1.05	1.04	0.45	1.41	0.97
Vanillylmandelic acid	ME264024	1.54	0.85	0.28	1.48	0.54

Factors:

F1	Aspirin Dosage:ASA 325 \| Sample.Matrix:Colon Mucosal Tissue
F2	Aspirin Dosage:ASA 81 \| Sample.Matrix:Colon Mucosal Tissue
F3	Aspirin Dosage:NA \| Sample.Matrix:Colon Mucosal Tissue
F4	Aspirin Dosage:NA \| Sample.Matrix:Plasma
F5	Aspirin Dosage:PLACEBO \| Sample.Matrix:Colon Mucosal Tissue

Data matrix