Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Heterologous expression and detection of Apratoxins in E. coli (Study ST000446)

UHPLC POSITIVE ION MODE (Analysis AN000697)

Metabolite	Structure	F1	F2	F3	F4
LysoPE (18:1)	ME151065	0.28	3.71	0.00	0.00
L-Tryptophan 13C11	ME151062	0.01	0.21	0.20	3.31
Resorcinol monoacetate	ME151089	0.24	0.51	0.09	3.16
4-GUANIDINOBUTANOATE	ME150931	0.93	0.10	2.69	0.28
HEXOSE-DISACCHARIDE	ME151041	0.54	0.49	2.62	0.34
PHENETHYLAMINE	ME151081	0.02	0.03	3.81	0.14
Stachydrine	ME151091	0.13	0.10	3.12	0.65
N-ACETYL-L-LEUCINE	ME151072	1.07	2.54	0.18	0.22
3^-CMP	ME150925	2.14	1.22	0.50	0.13
ADENOSINE 5^-MONOPHOSPHATE	ME150941	1.72	1.65	0.44	0.19
URIDINE-5-MONOPHOSPHATE	ME151102	1.46	2.01	0.14	0.38
Garcinia lactone dibutyl ester	ME151035	0.91	1.73	0.53	0.82
Glycyl-L-leucine	ME151039	1.46	1.24	0.44	0.85
L-GLUTAMINE	ME151057	1.32	1.35	0.45	0.88
ALDO/KETO-HEXOSE	ME150943	1.52	1.39	0.68	0.41
C5-SUGAR ALCOHOL	ME151024	1.48	1.39	0.54	0.59
CYTIDINE	ME151028	0.82	0.63	0.58	1.97
Anthranilate	ME150947	0.61	0.71	0.85	1.83
Dipropylene glycol	ME151033	0.63	0.68	0.77	1.91
Allopurinol	ME150945	0.01	0.13	1.67	2.19
HYPOXANTHINE	ME151045	0.18	0.18	1.73	1.91
ALANINE/SARCOSINE	ME150942	0.15	0.29	1.58	1.98
URACIL	ME151100	0.15	0.17	1.59	2.09
5,6-DIHYDROURACIL	ME150934	0.23	0.23	1.22	2.32
Acetaminophen/Paracetamol	ME150938	0.17	0.26	1.28	2.29
ANTHRANILATE/4-AMINOBENZOATE	ME150948	0.11	0.19	1.37	2.33
THYMINE	ME151094	0.15	0.17	1.47	2.21
KYNURENINE	ME151049	0.42	0.21	1.33	2.04
Dihydroxyquinoine	ME151031	0.27	0.39	1.20	2.14
TRANS-CINNAMATE	ME151095	0.34	0.45	1.18	2.04
Tryptophan	ME151098	0.18	0.51	1.34	1.97
2-AMINOPHENOL	ME150923	0.23	0.33	1.35	2.09
INDOLE-3-ACETATE	ME151046	0.21	0.42	1.31	2.07
TYRAMINE	ME151099	0.29	0.47	0.77	2.47
L-HOMOCYSTEINE THIOLACTONE	ME151059	0.02	0.03	1.25	2.70
PEG n5	ME151080	0.06	0.19	1.24	2.51
2,4-DIHYDROXYPTERIDINE	ME150922	0.03	0.01	0.87	2.76
Acyl-Carnitine(4-OH)	ME150939	0.29	0.13	0.93	2.65
5^-DEOXYADENOSINE	ME150935	0.02	1.06	1.84	1.08
ASPARTATE	ME150949	0.57	0.71	1.70	1.03
N-ALPHA-ACETYL-L-LYSINE	ME151075	0.77	0.69	1.67	0.87
Hippuric Acid	ME151042	0.74	0.60	1.65	1.01
N-ACETYL-DL-GLUTAMIC ACID	ME151069	0.78	0.66	1.59	0.97
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE	ME150946	0.65	0.48	1.79	1.09
L-METHIONINE	ME151061	0.60	0.38	1.85	1.18
L-Isoleucine	ME151060	0.67	0.56	1.62	1.14
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE	ME151064	0.72	0.60	1.58	1.10
Pyroglutamic Acid	ME151088	0.72	0.60	1.58	1.11
3-HYDROXY-3-METHYLGLUTARATE	ME150926	0.65	0.55	1.56	1.24
Phenylalanine	ME151082	0.57	0.50	1.63	1.30
L-TYROSINE	ME151063	0.56	0.45	1.75	1.24
BETAINE	ME151022	0.63	0.54	1.66	1.17
PICOLINIC ACID	ME151084	0.63	0.50	1.70	1.17
HOMOCYSTEINE	ME151043	0.53	0.33	1.68	1.45
Homocystine	ME151044	0.53	0.38	1.73	1.36
ADENINE	ME150940	0.38	0.56	1.81	1.26
GUANINE	ME151040	0.32	0.59	1.71	1.38
4-IMIDAZOLEACETIC ACID	ME150933	0.58	0.48	1.50	1.45
1,2-Benzisothiazolin-3-one	ME150921	0.51	0.56	1.39	1.54
CYTOSINE	ME151029	0.55	0.62	1.38	1.45
GLYCINE	ME151038	0.64	0.54	1.23	1.59
5-METHYLCYTOSINE HYDROCLORIDE	ME150936	0.46	0.64	1.23	1.67
CREATININE	ME151027	0.50	0.51	1.30	1.69
METHYL INDOLE-3-ACETATE	ME151067	0.31	0.39	1.57	1.73
URIDINE	ME151101	0.45	0.37	1.50	1.68
Orthophosphate	ME151077	0.34	0.33	1.72	1.62
Trigonelline	ME151097	0.39	0.17	1.83	1.60
OxPC (20:3(KeKe))	ME151078	0.22	0.22	2.12	1.44
L-HISTIDINE	ME151058	0.28	0.23	1.97	1.52
N-ACETYL-L-ASPARTIC ACID	ME151071	0.20	0.21	1.99	1.60
3-METHOXYTYRAMINE	ME150927	0.18	0.25	2.24	1.33
Glutathione Disulfide	ME151037	0.23	0.20	2.29	1.29
CREATINE	ME151026	0.33	0.25	2.17	1.24
L-2-PHOSPHOGLYCERIC ACID	ME151050	0.42	0.26	2.21	1.11
N-ACETYLNEURAMINATE	ME151073	0.53	0.37	2.05	1.04
Pantothenic Acid	ME151079	0.36	0.37	1.99	1.28
N-ACETYLPUTRESCINE	ME151074	0.90	0.57	1.95	0.58
L-CARNITINE	ME151054	0.41	0.31	2.36	0.93
PHOSPHOCHOLINE	ME151083	0.53	0.33	2.29	0.85
Kynurenic Acid	ME151048	0.62	0.49	2.22	0.68
N-Butylbenzenesulfonamide	ME151076	0.57	0.59	2.11	0.73
L-GLUTAMIC ACID	ME151056	1.34	1.07	1.14	0.45
PIPECOLATE/L-PIPECOLIC ACID	ME151085	1.35	1.12	1.26	0.27
Sulcatol	ME151092	0.85	0.92	0.91	1.32
Bis(2-ethylhexyl) phthalate	ME151023	0.95	0.84	0.97	1.24
THREONINE/HOMOSERINE	ME151093	0.93	0.81	1.06	1.20
3-METHYL-2-OXINDOLE	ME150928	0.68	0.85	1.07	1.40
4-AMINOBUTANOATE (GABA)	ME150930	0.82	0.66	0.99	1.53
ALDOPENTOSE	ME150944	0.82	0.71	1.03	1.44
4-HYDROXYPROLINE	ME150932	0.89	0.67	1.22	1.22
L-ARGININE	ME151052	0.70	0.63	1.44	1.23
L-ASPARAGINE	ME151053	0.76	0.62	1.43	1.19
Choline	ME151025	0.89	0.79	1.33	0.99
GLUTARATE	ME151036	0.71	0.81	1.41	1.08
N-ACETYL-DL-SERINE	ME151070	0.81	0.73	1.36	1.11
PYRIDOXAL	ME151087	0.54	0.84	1.34	1.27
L-Acetylcarnitine	ME151051	0.73	1.08	1.04	1.14
Erucamide	ME151034	0.74	1.02	1.19	1.04
6-DEOXY-HEXOSE	ME150937	0.67	0.91	1.27	1.15
Monobutyl phthalate	ME151068	0.65	1.00	1.32	1.03
Methionine Sulfoxide	ME151066	0.97	1.28	0.72	1.03
Proprionylcarnitine	ME151086	0.92	1.24	0.67	1.17
DIMETHYLBENZIMIDAZOLE	ME151032	1.25	0.87	0.92	0.95
Isocytosine	ME151047	1.24	0.92	0.69	1.14
SEROTONIN	ME151090	0.91	1.19	0.98	0.93
Triethyl phosphate	ME151096	0.96	1.08	0.97	0.99
3,5-Di-tert-butylbenzaldehyde	ME150924	1.00	0.96	1.04	1.00
Dibutyl phthalate	ME151030	0.94	1.05	1.10	0.91
3-UREIDOPROPIONATE	ME150929	1.20	0.98	1.14	0.68
Leu Pro	ME151055	1.27	1.05	0.94	0.75

Factors:

F1	pH:12 \| treatment:bAprat14
F2	pH:12 \| treatment:control
F3	pH:8 \| treatment:bAprat14
F4	pH:8 \| treatment:control

Data matrix