Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000748)

(Analysis AN001172)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
TAURINE (M-H)-	ME207174	0.91	NA	1.12	NA	0.97	NA
BIOTIN (M-H)-	ME207111	1.09	0.87	1.14	0.92	0.94	1.03
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-	ME207093	NA	0.95	NA	1.10	NA	0.95
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)-	ME207181	1.14	NA	1.12	NA	0.73	NA
GLUCOSE (M+CL)-	ME207121	0.96	NA	0.91	NA	1.13	NA
LAURIC ACID (M-H)-	ME207137	1.02	1.03	0.94	0.97	0.95	1.08
L-ARGININE (M-H)-	ME207133	1.58	0.43	1.61	0.27	1.68	0.43
LYSINE (M-H)-	ME207141	1.60	0.69	1.21	0.67	1.02	0.72
SALICYLATE #2 (M-H)-	ME207168	NA	0.86	NA	1.07	NA	1.07
TRYPTOPHAN (M-H)-	ME207179	NA	0.95	NA	1.02	NA	1.04
MYRISTIC ACID (M-H)-	ME207147	0.98	1.08	0.94	1.03	0.95	1.03
KYNURENIC ACID (M-H)-	ME207132	NA	0.95	NA	0.99	NA	1.06
THYMIDINE (M+CL)-	ME207175	0.42	1.36	0.39	1.66	0.49	1.68
N-ACETYL-DL-METHIONINE (M-H)-	ME207151	0.86	NA	1.15	NA	0.98	NA
GLUTATHIONE (OXIDIZED) (M-H)-	ME207124	0.99	NA	1.01	NA	1.00	NA
PALMITOLEIC ACID (M-H)-	ME207157	0.92	1.28	0.71	1.08	0.78	1.24
THYMIDINE (M-H)-	ME207176	0.64	1.43	0.59	1.32	0.68	1.35
MALEIC ACID (M-H)-	ME207142	0.84	NA	1.13	NA	1.03	NA
ADIPIC ACID (M-H)-	ME207103	0.74	1.13	1.12	1.17	0.65	1.24
ALLANTOIN (M-H)-	ME207104	1.02	NA	0.71	NA	1.27	NA
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-	ME207135	1.30	0.64	1.38	0.68	1.30	0.69
GLUTAMINE (M-H)-	ME207122	NA	1.48	NA	0.99	NA	0.53
HYODEOXYCHOLIC ACID (M-H)-	ME207131	1.09	NA	1.01	NA	0.90	NA
ACETOACETIC ACID (M-H)-	ME207102	NA	0.90	NA	0.94	NA	1.16
HOMOVANILLIC ACID (2M-H)-	ME207130	1.23	0.59	1.34	0.73	1.39	0.72
N-ACETYL-D-TRYPTOPHAN (M-H)-	ME207150	NA	0.95	NA	1.00	NA	1.05
SEBACIC ACID (M-H)-	ME207170	1.14	0.92	1.06	0.94	1.01	0.93
HEPTADECANOIC ACID (M-H)-	ME207127	0.79	1.20	0.77	1.17	0.85	1.21
MANNITOL (M-H)-	ME207145	0.86	NA	1.19	NA	0.95	NA
DEOXYURIDINE (M+CL)-	ME207113	0.87	NA	0.96	NA	1.17	NA
NAD (M-H)-	ME207153	0.81	NA	1.11	NA	1.08	NA
TYROSINE (M-H)-	ME207180	0.92	NA	1.00	NA	1.08	NA
16:0 LYSO PC (M+CL)-	ME207088	NA	1.12	NA	0.94	NA	0.95
AZELAIC ACID (M-H)-	ME207106	1.30	0.82	1.23	0.81	0.99	0.85
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-	ME207090	0.25	1.68	0.31	1.70	0.33	1.73
L-HISTIDINE (M-H)-	ME207134	1.06	NA	1.00	NA	0.93	NA
LIGNOCERIC ACID (M-H)-	ME207138	0.79	1.28	0.86	1.08	0.78	1.21
PHTHALIC ACID (M-H)-	ME207162	0.35	2.03	0.22	1.39	NA	NA
ERUCIC ACID (M-H)-	ME207116	1.15	0.97	1.10	0.80	1.09	0.91
N-ACETYL-ASPARTIC ACID (M-H)-	ME207148	1.30	NA	0.86	NA	0.84	NA
ZEATIN [ISTD] (M+CL)-	ME207183	0.91	1.04	0.93	1.08	0.95	1.08
RIBOFLAVIN (M-H)-	ME207167	0.11	1.83	0.08	1.88	0.10	1.99
GDPMANNOSE (M-H)-	ME207120	0.84	NA	1.16	NA	1.00	NA
SALICYLURIC ACID (M-H)-	ME207169	NA	0.99	NA	1.00	NA	1.01
MANDELIC ACID (M-H)-	ME207144	NA	0.93	NA	1.09	NA	0.98
HIPPURIC ACID (M-H)-	ME207129	NA	0.94	NA	1.00	NA	1.06
5-HYDROXYINDOLEACETIC ACID (M-H)-	ME207100	NA	1.02	NA	1.00	NA	0.98
GLUTARIC ACID (M-H)-	ME207123	NA	0.96	NA	0.94	NA	1.10
LUMICHROME (M-H)-	ME207140	NA	0.96	NA	0.99	NA	1.05
FUMARIC ACID (M-H)-	ME207119	0.86	NA	1.11	NA	1.03	NA
ARACHIDONIC ACID (M-H)-	ME207105	NA	1.23	NA	0.96	NA	0.82
FOLIC ACID (M-H)-	ME207118	NA	0.96	NA	0.98	NA	1.06
HEXACOSANOIC ACID (M-H)-	ME207128	0.51	1.35	0.69	1.19	0.71	1.26
18:0 LYSO-PE (M-H)-	ME207089	NA	1.10	NA	0.77	NA	1.14
XANTHINE (M-H)-	ME207182	0.87	NA	0.96	NA	1.17	NA
2-METHYLMALEIC ACID (M-H)-	ME207092	1.14	0.63	1.16	0.68	1.26	0.71
PYRIDOXINE (M-H)-	ME207165	0.79	NA	1.01	NA	1.20	NA
BENZOIC ACID #2 (M-H)-	ME207108	0.99	1.03	1.10	0.86	1.10	0.93
THYROXINE (M-H)-	ME207177	0.57	1.27	0.64	1.30	0.55	1.41
ZEATIN [ISTD] (M-H)-	ME207184	1.08	0.89	1.14	0.91	1.09	0.89
PHENYLALANINE (M-H)-	ME207160	0.47	1.46	0.49	1.49	0.56	1.53
N-ACETYL-L-LEUCINE (M-H)-	ME207152	NA	0.85	NA	0.98	NA	1.17
DOCOSAHEXAENOIC ACID (M-H)-	ME207114	NA	0.86	NA	0.96	NA	1.18
EPIBRASSINOLIDE [ISTD] (M+CL)-	ME207115	0.98	0.94	0.99	1.01	0.99	1.09
MALIC ACID (M-H)-	ME207143	0.99	NA	1.06	NA	0.95	NA
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-	ME207136	1.06	0.74	1.32	0.86	1.22	0.80
5^-METHYLTHIOADENOSINE (M+CL)-	ME207099	0.98	NA	0.95	NA	1.08	NA
OLEIC ACID (M-H)-	ME207154	0.72	1.33	0.63	1.25	0.49	1.58
OPHTHALMIC ACID (M-H)-	ME207155	1.06	NA	0.96	NA	0.96	NA
4-NITROPHENOL (M-H)-	ME207097	1.22	0.82	1.14	0.83	1.17	0.82
CITRAMALIC ACID (M-H)-	ME207112	1.01	NA	0.80	NA	1.28	NA
PANTOTHENIC ACID (M-H)-	ME207159	1.34	0.31	1.82	0.34	1.85	0.34
PHOSPHOCREATINE (M-H)-	ME207161	1.14	NA	0.66	NA	1.20	NA
GLYCOLITHOCHOLIC ACID (M-H)-	ME207126	NA	0.98	NA	0.97	NA	1.05
GLYCOCHOLIC ACID (M-H)-	ME207125	0.31	1.57	0.30	1.76	0.39	1.67
2-HYDROXYBUTYRIC ACID (M-H)-	ME207091	NA	1.12	NA	0.96	NA	0.92
4-HYDROXYBENZOIC ACID (M-H)-	ME207096	0.61	1.41	0.40	1.51	0.52	1.35
METHIONINE (M-H)-	ME207146	1.03	NA	0.85	NA	1.12	NA
3-HYDROXYBENZOIC ACID (M-H)-	ME207095	NA	0.98	NA	1.02	NA	0.99
BILIVERDIN (M-H)-	ME207110	0.88	NA	0.99	NA	1.13	NA
LINOLEIC ACID (M-H)-	ME207139	NA	1.11	NA	0.93	NA	0.95
N-ACETYL-D-GLUCOSAMINE (M+CL)-	ME207149	0.73	NA	1.14	NA	1.20	NA
RIBOFLAVIN (M+CL)-	ME207166	NA	0.92	NA	0.99	NA	1.09
ETHYLMALONIC ACID (M-H)-	ME207117	NA	0.98	NA	1.00	NA	1.02
SUBERIC ACID (M-H)-	ME207173	1.12	0.97	1.04	0.98	0.79	1.10
TRICARBALLYLIC ACID (M-H)-	ME207178	0.94	NA	0.74	NA	1.48	NA
5-OXOPROLINE (M-H)-	ME207101	1.01	NA	0.96	NA	1.03	NA
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-	ME207094	1.29	1.15	1.07	0.86	0.98	0.65
PHYTANIC ACID (M-H)-	ME207163	NA	0.79	NA	0.53	NA	1.78
PIMELIC ACID (M-H)-	ME207164	0.40	1.50	0.42	1.61	0.42	1.66
STACHYOSE (M-H)-	ME207171	NA	1.10	NA	1.02	NA	0.91
BENZOIC ACID (M-H)-	ME207109	0.87	0.87	0.76	1.23	0.73	1.54
PANTOTHENIC ACID (M+CL)-	ME207158	1.00	0.80	1.18	1.03	1.27	0.72
PALMITIC ACID (M-H)-	ME207156	0.94	1.10	0.90	1.10	0.89	1.08
BEHENIC ACID (M-H)-	ME207107	1.00	NA	1.07	NA	0.93	NA
4-PYRIDOXIC ACID (M-H)-	ME207098	0.35	1.54	0.38	1.63	0.46	1.64
STEARIC ACID (M-H)-	ME207172	0.91	1.05	1.02	1.03	0.93	1.06

Factors:

F1	MEHP concentration:180 \| Sample type:Cells
F2	MEHP concentration:180 \| Sample type:Culture Media
F3	MEHP concentration:90 \| Sample type:Cells
F4	MEHP concentration:90 \| Sample type:Culture Media
F5	MEHP concentration:- \| Sample type:Cells
F6	MEHP concentration:- \| Sample type:Culture Media

Data matrix