Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Placental cells (BeWo) phthalate exposure metabolomics (Study ST000748)

Reversed phase POSITIVE ION MODE (Analysis AN001173)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
5^-METHYLTHIOADENOSINE (M+H)+	ME207193	1.79	0.10	1.81	0.10	2.10	0.10
GLUTATHIONE OXIDIZED (M+H2)+2	ME207237	2.02	0.01	2.04	0.01	1.93	0.01
N-ACETYL-ASPARTIC ACID (M+H)+	ME207270	2.06	0.08	1.89	0.08	1.83	0.06
PANTOTHENIC ACID (M+H)+	ME207292	1.32	0.35	1.99	0.37	1.64	0.43
N-ACETYLNEURAMINIC ACID (M+H)+	ME207278	1.55	0.32	1.61	0.31	1.65	0.35
ISO-BUTYRYLCARNITINE (*) (M+H)+	ME207254	1.64	0.31	1.89	0.32	1.55	0.30
BUTYRYLCARNITINE (*) (M+H)+	ME207213	1.77	0.17	2.04	0.18	1.67	0.16
ISOVALERYLCARNITINE (*) (M+H)+	ME207257	1.72	0.19	1.92	0.22	1.75	0.20
AZELAIC ACID (M+H)+	ME207205	1.41	NA	0.63	NA	0.83	NA
OLEOYL-GLYCEROL (M+H)+	ME207289	1.54	NA	0.96	NA	0.54	NA
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+	ME207302	0.59	NA	1.26	NA	1.01	NA
CHOLESTEROL (M+H)+[-H2O]	ME207215	0.82	NA	1.03	NA	1.15	NA
D-GALACTOSAMINE (M+H)+[-H2O]	ME207223	0.70	NA	0.99	NA	1.31	NA
S-ADENOSYLMETHIONINE (M+H)+	ME207303	1.10	NA	1.27	NA	0.85	NA
TAURINE (M+NA)+	ME207310	0.83	NA	1.29	NA	0.88	NA
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+	ME207306	1.22	NA	1.02	NA	0.76	NA
UDP-N-ACETYL-D-GALACTOSAMINE (M+NA)+	ME207322	1.19	NA	0.93	NA	0.88	NA
CYTIDINE (2M+H)+	ME207222	1.15	NA	0.90	NA	0.92	NA
N-ACETYL-ASPARTIC ACID (M+NA)+	ME207271	1.17	NA	0.91	NA	0.92	NA
GLYCOLITHOCHOLIC ACID (M+H)+[-H2O]	ME207244	1.15	NA	0.85	NA	1.07	NA
SEBACIC ACID (M+NA)+	ME207304	1.16	NA	0.78	NA	1.06	NA
N-ACETYL-L-PHENYLALANINE (M+H)+	ME207276	1.00	NA	0.81	NA	1.19	NA
ETHANOLAMINE (M+NA)+	ME207227	1.04	NA	0.85	NA	1.11	NA
SPERMIDINE (M+H)+	ME207307	1.03	NA	0.88	NA	1.10	NA
GAMMA-LINOLENIC ACID (M+NA)+	ME207231	1.05	NA	0.99	NA	0.97	NA
HOMOSERINE (M+NA)+	ME207249	0.96	NA	0.97	NA	1.07	NA
L-ARGININE (M+H)+	ME207260	1.00	NA	0.96	NA	1.04	NA
4-ACETAMIDOBUTANOIC ACID (M+NA)+	ME207191	0.99	NA	0.96	NA	1.05	NA
BILIVERDIN (M+H)+	ME207208	0.99	NA	0.96	NA	1.05	NA
5^-METHYLTHIOADENOSINE (M+NA)+	ME207194	1.00	NA	0.94	NA	1.05	NA
N-ACETYL-DL-SERINE (M+H)+[-H2O]	ME207275	1.00	NA	0.93	NA	1.07	NA
LYSINE (M+H)+	ME207265	1.00	NA	1.01	NA	0.99	NA
CREATINE (M+H)+	ME207219	0.97	NA	1.01	NA	1.02	NA
GLUTATHIONE OXIDIZED (M+H)+	ME207236	0.98	NA	1.00	NA	1.01	NA
PANTOTHENIC ACID (M+NA)+	ME207293	0.93	NA	1.03	NA	1.04	NA
CHOLINE PHOSPHATE (M+NA)+	ME207217	0.92	NA	1.01	NA	1.07	NA
PROPIONYLCARNITINE (*) (M+H)+	ME207297	0.95	NA	1.00	NA	1.05	NA
NAD (M+2H)+2	ME207282	0.86	NA	1.15	NA	0.99	NA
GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+[-H2O]	ME207230	0.95	NA	1.14	NA	0.94	NA
NAD (M+H)+	ME207283	0.91	NA	1.13	NA	0.95	NA
ASPARTIC ACID (M+NA)+	ME207204	0.97	NA	1.07	NA	0.95	NA
INDOLE-3-ACETALDEHYDE (M+H)+	ME207252	0.92	NA	1.06	NA	1.00	NA
NAD (M+NA)+	ME207284	0.94	NA	1.08	NA	0.98	NA
GLYCEROL MYRISTATE (M+H)+[-H2O]	ME207238	0.95	NA	1.19	NA	0.86	NA
D-GLUCOSAMINE (M+H)+	ME207224	1.03	NA	1.08	NA	0.92	NA
BIOTIN (M+NA)+	ME207210	0.99	NA	1.12	NA	0.89	NA
CADAVERINE (M+H)+	ME207214	1.04	NA	1.14	NA	0.88	NA
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+	ME207211	1.85	1.00	1.58	0.69	0.59	0.30
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+	ME207212	1.54	1.04	1.48	0.85	0.68	0.41
BIOTIN (M+H)+	ME207209	1.17	0.86	1.22	0.87	1.05	0.82
ERYTHRITOL (M+NA)+	ME207226	1.22	0.72	1.49	0.85	1.17	0.80
N-CYCLOHEXYLFORMAMIDE (M+H)+	ME207280	1.18	0.76	1.29	0.75	1.25	0.77
CITRIC ACID (M+NA)+	ME207218	1.40	0.59	1.33	0.69	1.34	0.63
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+	ME207262	1.32	0.66	1.36	0.70	1.29	0.67
N-CYCLOHEXYLFORMAMIDE (M+NA)+	ME207281	1.31	0.61	1.39	0.66	1.35	0.68
ACETYLCARNITINE (M+H)+	ME207199	1.21	0.58	1.42	0.59	1.62	0.57
SEROTONIN (M+H)+	ME207305	1.24	0.51	1.60	0.59	1.47	0.59
AZELAIC ACID (M+H)+[-H2O]	ME207206	1.48	0.79	0.90	0.85	1.16	0.82
AZELAIC ACID (M+NA)+	ME207207	1.36	0.89	0.80	0.97	1.05	0.93
CREATININE (M+NA)+	ME207221	0.86	0.97	1.45	1.08	0.84	0.91
HEXANOYLCARNITINE (*) M+	ME207246	0.90	1.10	1.08	1.03	0.93	0.95
DETHIOBIOTIN (M+NA)+	ME207225	1.11	0.95	1.11	0.92	1.02	0.90
PROLINE (M+H)+	ME207295	1.10	0.90	1.01	0.92	1.12	0.95
OLEOYL-GLYCEROL (M+NA)+	ME207290	1.07	1.03	1.05	0.98	0.93	0.95
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]	ME207188	1.03	1.04	0.98	0.95	1.02	0.98
5-AMINOPENTANOIC ACID (M+H)+	ME207195	1.04	1.02	0.94	0.92	1.10	0.98
CREATININE (M+H)+	ME207220	0.82	0.95	1.25	0.95	1.06	0.92
PROGESTERONE (M+NA)+	ME207294	0.95	0.85	1.13	0.98	1.25	0.85
SUBERIC ACID (M+NA)+	ME207309	1.17	1.15	0.72	0.99	0.92	1.09
GLYCEROL MYRISTATE (M+NA)+	ME207239	0.90	0.97	0.99	1.14	0.82	1.18
OLEAMIDE (M+H)+	ME207287	0.86	1.03	1.01	1.17	0.86	1.07
OLEAMIDE (M+NA)+	ME207288	0.82	1.12	0.93	1.30	0.84	1.18
N-ACETYLNEURAMINIC ACID (M+NA)+	ME207279	0.88	1.08	0.88	1.09	0.97	1.10
TYROSINE (M+H)+	ME207320	0.84	1.13	0.80	1.17	0.91	1.15
CHOLINE M+	ME207216	0.84	1.13	0.90	1.13	0.88	1.11
LYSINE (M+NA)+	ME207266	0.82	1.11	0.87	1.18	0.83	1.18
ORNITHINE (M+H)+	ME207291	0.81	1.18	0.86	1.17	0.84	1.14
XANTHOSINE (M+NA)+	ME207327	NA	0.73	NA	1.20	NA	1.06
HYPOXANTHINE (M+NA)+	ME207251	NA	1.18	NA	1.12	NA	0.70
METHYL BETA-D-GALACTOSIDE (M+NA)+	ME207269	NA	1.11	NA	1.15	NA	0.67
STACHYOSE (M+K)+	ME207308	NA	1.09	NA	0.91	NA	1.03
TYROSINE (M+NA)+	ME207321	NA	1.14	NA	0.81	NA	1.05
HIPPURIC ACID (M+NA)+	ME207248	NA	0.99	NA	1.05	NA	0.96
4-HYDROXY-L-PROLINE (M+H)+	ME207192	NA	0.99	NA	1.03	NA	0.97
5-HYDROXYINDOLEACETIC ACID (M+NA)+	ME207197	NA	0.99	NA	1.03	NA	0.97
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]	ME207189	NA	1.02	NA	1.01	NA	0.97
MANNITOL (M+NA)+	ME207267	NA	1.02	NA	1.03	NA	0.95
5-HYDROXYINDOLEACETIC ACID (M+H)+	ME207196	NA	0.94	NA	1.06	NA	1.01
N-ACETYL-D-TRYPTOPHAN (M+H)+	ME207272	NA	0.97	NA	1.02	NA	1.01
INDOLE-3-ACETIC ACID (M+NA)+	ME207253	NA	0.94	NA	0.96	NA	1.08
GLYCOCHENODEOXYCHOLIC ACID (M+NA)+	ME207241	NA	1.02	NA	0.93	NA	1.04
L-ARGININE (M+NA)+	ME207261	NA	1.01	NA	0.94	NA	1.06
ALPHA-LINOLENIC ACID (M+NA)+	ME207203	NA	0.98	NA	0.97	NA	1.04
THEOBROMINE (M+NA)+	ME207313	NA	0.98	NA	0.99	NA	1.03
ALLANTOIN (M+NA)+	ME207202	NA	1.03	NA	0.96	NA	1.01
VALINE (M+NA)+	ME207324	NA	1.01	NA	0.99	NA	1.00
XANTHOSINE (M+H)+	ME207326	NA	1.00	NA	0.99	NA	1.01
GLYCOCHENODEOXYCHOLIC ACID (M+H)+	ME207240	NA	1.09	NA	0.99	NA	0.92
TAUROCHOLIC ACID (M+H)+[-H2O]	ME207311	NA	1.10	NA	1.05	NA	0.88
GLUTAMINE (M+NA)+	ME207234	NA	1.04	NA	1.04	NA	0.91
GLYCOLITHOCHOLIC ACID (M+NA)+	ME207245	NA	1.07	NA	1.06	NA	0.89
OCTANOYLCARNITINE (*) (M+H)+	ME207286	NA	1.05	NA	1.07	NA	0.89
RIBOFLAVIN (2M+NA)+	ME207299	NA	0.98	NA	1.14	NA	0.88
N-ACETYL-DL-METHIONINE (M+NA)+	ME207274	NA	0.97	NA	1.09	NA	0.94
GLYCOCHOLIC ACID (M+H)+	ME207242	NA	0.94	NA	1.13	NA	0.93
N-ACETYL-D-TRYPTOPHAN (M+NA)+	ME207273	NA	0.93	NA	1.10	NA	0.97
FOLIC ACID (M+NA)+	ME207229	0.52	1.25	0.60	1.76	0.78	1.09
16:0 LYSO PC (M+H)+	ME207186	0.74	1.35	0.72	1.26	0.76	1.18
ISOLEUCINE (M+H)+	ME207255	0.73	1.24	0.72	1.24	0.76	1.22
THIAMIN M+	ME207314	0.74	1.24	0.79	1.27	0.76	1.21
THIAMIN M+[-C6H9NOS]	ME207315	0.50	1.39	0.80	1.39	0.63	1.29
PROLINE (M+NA)+	ME207296	0.55	1.36	0.68	1.41	0.62	1.39
5-OXOPROLINE (M+H)+	ME207198	0.63	1.32	0.55	1.35	0.74	1.41
XANTHINE (M+H)+	ME207325	0.57	1.33	0.61	1.31	0.71	1.33
1-METHYLXANTHINE (M+H)+	ME207185	0.58	1.37	0.56	1.38	0.63	1.34
3-METHYLXANTHINE (M+H)+	ME207190	0.61	1.37	0.61	1.38	0.67	1.36
16:0 LYSO PC (M+NA)+	ME207187	0.64	1.53	0.63	1.31	0.67	1.23
THYROXINE (M+H)+	ME207317	0.70	1.38	0.64	1.36	0.66	1.26
N-ACETYL-L-PHENYLALANINE (M+NA)+	ME207277	0.48	1.32	0.42	1.70	0.65	1.42
HYPOXANTHINE (M+H)+	ME207250	0.43	1.60	0.44	1.47	0.56	1.50
ISOLEUCINE (M+NA)+	ME207256	0.47	1.60	0.45	1.64	0.49	1.52
PYRIDOXINE (M+H)+	ME207298	0.40	1.56	0.43	1.56	0.50	1.56
LUMICHROME (M+H)+	ME207263	0.51	1.57	0.50	1.49	0.59	1.33
LUMICHROME (M+NA)+	ME207264	0.52	1.62	0.51	1.49	0.57	1.28
THYMIDINE (M+NA)+	ME207316	0.56	1.35	0.38	1.41	0.61	1.36
NICOTINAMIDE (M+H)+	ME207285	0.52	1.46	0.52	1.46	0.60	1.44
METHIONINE (M+H)+	ME207268	0.57	1.43	0.48	1.47	0.59	1.45
GLUCOSE (M+NA)+	ME207233	0.52	1.42	0.48	1.49	0.61	1.47
VALINE (M+H)+	ME207323	0.54	1.42	0.50	1.46	0.61	1.46
GLUCOSE (2M+NA)+	ME207232	0.51	1.46	0.47	1.51	0.60	1.45
TRYPTOPHAN (M+H)+	ME207318	0.49	1.47	0.49	1.54	0.55	1.46
TRYPTOPHAN (M+NA)+	ME207319	0.50	1.47	0.51	1.53	0.55	1.44
ADENOSINE 5^-MONOPHOSPHATE (M+H)+	ME207201	0.06	2.00	0.16	1.85	0.04	1.89
RIBOFLAVIN (M+H)+	ME207300	0.16	1.80	0.15	1.91	0.18	1.80
RIBOFLAVIN (M+NA)+	ME207301	0.12	1.86	0.11	1.96	0.13	1.82
GLUTARYLCARNITINE (*) (M+H)+	ME207235	0.30	1.74	0.27	1.68	0.36	1.64
HIPPURIC ACID (M+H)+	ME207247	0.27	1.72	0.26	1.76	0.33	1.66
KYNURENINE (M+H)+	ME207259	0.28	1.68	0.29	1.74	0.35	1.65
FOLIC ACID (M+H)+	ME207228	0.33	1.75	0.31	1.68	0.40	1.54
TAUROCHOLIC ACID (M+NA)+	ME207312	0.27	1.70	0.30	1.60	0.40	1.49
GLYCOCHOLIC ACID (M+H)+[-H2O]	ME207243	0.31	1.56	0.32	1.60	0.45	1.35
KYNURENIC ACID (M+H)+	ME207258	0.24	1.48	0.23	1.53	0.30	1.45

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