Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003603)

Reversed phase POSITIVE ION MODE (Analysis AN005920)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9
Glutamine 13C5	ME934480	NA	0.13	NA	1.92	NA	0.08	NA	0.93	1.64
Dimethylglycine	ME934429	1.51	0.93	2.78	0.36	0.36	0.28	0.34	2.08	0.36
Guanine	ME934408	1.24	0.39	0.78	1.36	1.07	0.53	1.27	1.01	1.34
L-leucine/isoleucine	ME934396	1.09	0.48	0.76	1.57	1.08	0.49	1.12	0.86	1.54
Glutamate 13C3	ME934475	NA	0.85	NA	0.32	NA	0.17	NA	2.79	0.32
L-lysine	ME934397	1.21	0.67	0.76	1.44	0.92	0.71	0.97	1.07	1.25
Spermine	ME934436	0.70	0.32	0.47	1.06	3.52	1.31	0.88	0.41	0.33
Arginine 13C5	ME934468	NA	0.05	NA	1.96	NA	0.05	NA	0.72	2.22
Guanosine	ME934407	1.44	0.41	1.69	0.11	1.18	1.08	0.96	0.81	0.17
Hypoxanthine 13C3	ME934528	NA	1.73	NA	0.51	NA	0.43	NA	2.02	0.30
(5-L-Glutamyl)-L-glutamine	ME934427	1.00	0.22	0.74	1.90	1.08	0.41	0.86	0.74	2.03
5-Oxoproline	ME934420	1.10	0.61	1.04	0.96	1.35	0.97	1.22	0.91	0.84
Glutamate 13C4	ME934476	NA	0.17	NA	1.98	NA	0.13	NA	0.75	1.97
5-Hydroxyisourate	ME934416	1.63	0.46	0.97	0.76	1.33	0.90	1.28	0.94	0.72
Proline 13C5	ME934502	NA	0.79	NA	0.04	NA	0.02	NA	3.70	0.13
N-formyl kynurenine	ME934454	0.54	0.55	0.46	2.25	0.69	0.69	0.46	0.68	2.67
N-Acetylornithine	ME934442	0.86	0.24	0.78	2.03	1.07	0.31	0.65	0.73	2.33
5-10-Methenyltetrahydrofolate	ME934431	2.01	NA	0.96	NA	0.62	0.72	0.78	0.73	NA
L-aspartate	ME934390	1.53	0.46	2.22	0.67	0.78	0.76	0.98	0.99	0.60
gamma-Glutamyl-Se-methylselenocysteine	ME934423	1.33	1.54	1.25	0.76	0.40	1.06	1.15	0.89	0.62
gamma-L-Glutamyl-D-alanine	ME934424	1.24	0.33	1.78	1.50	0.72	0.42	0.69	0.79	1.53
3-Methyldioxyindole	ME934448	1.29	0.87	0.86	1.10	0.85	0.81	1.22	0.97	1.03
4-Acetamidobutanoate	ME934440	1.38	0.84	1.39	0.74	1.15	0.69	1.27	0.69	0.86
L-methionine	ME934398	1.24	0.41	0.82	1.32	1.08	0.56	1.26	0.96	1.35
glycine	ME934394	1.03	0.94	0.98	0.91	1.15	0.91	1.07	0.95	1.04
Proline 13C2	ME934500	NA	0.02	NA	1.80	NA	0.13	NA	0.69	1.42
Ornithine	ME934432	1.24	1.27	1.07	0.84	0.71	1.22	0.98	0.99	0.69
Anthranilate	ME934455	0.89	0.98	1.02	0.94	0.95	0.85	0.84	0.96	1.58
Glutathione disulfide 13C2	ME934534	NA	1.02	NA	0.35	NA	2.09	NA	1.23	0.31
L-histidine	ME934395	1.21	0.63	0.90	1.18	0.99	0.75	1.29	0.99	1.06
Uracil	ME934413	2.07	0.60	1.94	0.27	0.78	0.97	1.01	1.14	0.22
Valine 13C2	ME934508	NA	0.77	NA	0.92	NA	0.44	NA	1.32	1.19
2-Aminomuconate	ME934457	NA	1.26	0.10	0.94	0.31	1.83	0.17	0.56	2.00
Hypotaurine	ME934446	0.97	1.10	1.02	0.24	0.99	2.20	0.97	1.29	0.21
Hypoxanthine	ME934414	1.64	0.72	1.40	0.24	1.16	1.14	1.63	0.86	0.22
Glutathione disulfide 13C3	ME934535	NA	0.89	NA	0.39	NA	2.15	NA	0.73	0.40
Proline 13C1	ME934499	NA	1.21	NA	1.50	NA	0.36	NA	1.29	0.18
acyl-C5-OH (hydroxyisovalerylcarnitine)	ME934464	1.18	0.72	0.93	0.81	0.70	1.32	0.88	1.43	1.04
Cysteine 13C3	ME934472	NA	1.37	NA	0.39	NA	1.47	NA	1.49	0.28
Indoxyl	ME934452	1.10	0.52	1.06	1.84	1.00	0.45	0.84	0.79	1.41
Pantetheine	ME934445	0.82	0.38	0.64	1.35	1.04	0.44	0.98	1.49	1.46
Choline	ME934460	1.44	1.43	1.23	0.44	0.76	1.64	0.93	0.75	0.39
Citrulline 13C6	ME934541	NA	0.76	NA	0.74	NA	0.15	NA	2.31	0.76
Glutamine 13C3	ME934479	NA	0.11	NA	2.26	NA	0.28	NA	0.64	1.41
dAMP	ME934405	0.43	1.57	0.30	0.09	0.46	0.45	0.44	3.47	NA
Glutamate 13C2	ME934474	NA	1.26	NA	0.08	NA	0.70	NA	2.82	0.13
gamma-L-Glutamyl-L-cysteine	ME934422	0.97	2.50	0.89	0.42	0.50	1.77	0.92	0.72	0.29
Adenosine	ME934406	0.78	0.90	0.88	0.72	0.92	1.60	1.07	1.54	0.57
Allantoate	ME934415	1.15	1.33	1.14	0.88	0.74	1.18	1.02	0.94	0.63
acyl-C4-OH (Hydroxybutyrylcarnitine)	ME934463	1.28	0.66	1.19	0.36	0.76	1.76	1.05	1.43	0.53
Glutathione 13C7	ME934524	NA	0.18	NA	0.04	NA	0.05	NA	3.74	0.08
Tyrosine 13C9	ME934506	NA	0.68	NA	0.95	NA	0.06	NA	1.32	1.36
L-cysteine	ME934391	1.32	1.12	0.93	0.71	0.69	0.80	1.24	1.38	0.81
Phenylalanine 13C6	ME934496	NA	0.15	NA	1.98	NA	0.28	NA	0.63	1.96
S-Adenosyl-L-homocysteine	ME934538	NA	1.28	NA	0.31	NA	1.00	NA	1.73	0.67
Xanthine	ME934531	NA	0.83	NA	0.42	NA	2.00	NA	1.49	0.27
Phenylalanine 13C4	ME934495	NA	0.97	NA	1.15	NA	0.67	NA	0.74	1.46
Pyridoxal	ME934417	1.68	0.99	1.33	0.27	1.14	1.10	1.43	0.84	0.22
Leucine/isoleucine 13C1	ME934484	NA	0.72	NA	1.35	NA	0.73	NA	1.24	0.77
Spermidine	ME934435	1.45	0.53	1.46	0.63	1.46	1.05	1.42	0.72	0.27
Phenylalanine 13C3	ME934494	NA	0.79	NA	1.18	NA	0.78	NA	1.16	1.09
L-Citrulline	ME934433	1.95	1.19	1.78	0.43	0.76	0.67	1.36	0.60	0.27
L-phenylalanine	ME934399	1.28	0.51	0.91	1.05	1.16	0.61	1.28	1.17	1.05
L-asparagine	ME934389	1.37	0.46	0.61	1.11	1.25	0.85	1.26	1.10	0.98
Indolepyruvate	ME934451	1.52	0.71	0.83	1.00	0.95	0.70	1.47	1.05	0.77
L-glutamate	ME934392	1.39	0.91	1.44	0.33	1.13	1.33	1.22	0.94	0.29
Histidine 13C5	ME934482	NA	0.18	NA	1.80	NA	0.22	NA	0.56	2.24
Glutathione disulfide	ME934419	1.65	0.65	1.89	NA	0.30	0.45	0.83	NA	NA
S-Adenosyl-L-methionine 13C15	ME934539	NA	2.92	NA	0.22	NA	0.53	NA	0.61	0.15
Spermidine 13C1	ME934512	NA	0.24	NA	0.73	NA	0.25	NA	2.18	0.25
Threonine 13C2	ME934503	NA	1.67	NA	0.77	NA	0.69	NA	0.95	0.92
Thymidine	ME934412	1.05	0.46	0.31	1.93	0.81	0.86	1.10	0.49	1.99
Dopamine	ME934458	1.36	0.63	0.70	1.80	0.96	0.54	0.90	0.74	1.36
L-arginine	ME934388	0.83	0.48	0.57	1.72	1.03	0.57	0.88	1.22	1.70
Methionine 13C5	ME934493	NA	1.77	NA	0.14	NA	0.43	NA	2.15	0.22
Putrescine	ME934465	2.27	0.53	1.39	0.48	0.12	1.49	0.95	0.63	1.13
Cytidine	ME934410	0.81	1.08	0.26	0.20	0.90	1.23	3.55	0.77	0.21
propionyl-carnitine (acyl-C3)	ME934462	1.10	0.39	0.52	0.51	0.93	1.45	1.92	1.52	0.66
L-tyrosine	ME934403	1.36	0.55	0.85	1.07	0.93	0.68	1.49	1.02	1.06
Cys-Gly	ME934421	1.41	0.72	1.01	0.65	0.92	1.40	0.98	1.19	0.73
L-Methionine S-oxide	ME934447	1.59	0.80	0.88	1.07	0.65	0.97	1.03	0.99	1.02
Glutathione disulfide 13C11	ME934536	NA	1.82	NA	0.22	NA	1.11	NA	0.91	0.11
Phenylalanine 13C9	ME934498	NA	0.42	NA	1.51	NA	0.50	NA	1.07	1.49
L-valine	ME934404	1.49	0.61	0.87	1.13	0.98	0.57	1.35	0.90	1.12
g-Oxalo-crotonate	ME934456	1.64	0.87	1.25	0.26	1.20	1.18	1.59	0.75	0.27
Guanidinoacetate	ME934443	1.31	0.42	0.98	0.55	1.37	1.52	0.89	1.30	0.67
Creatinine	ME934439	1.12	0.93	0.95	0.76	0.87	0.67	1.52	0.97	1.21
Nicotinamide	ME934418	0.86	0.95	0.48	0.53	0.97	1.31	1.77	1.43	0.70
Lysine 13C1	ME934489	NA	0.49	NA	0.95	NA	1.00	NA	1.21	1.25
5-Oxoproline 13C4	ME934537	NA	0.49	NA	1.32	NA	0.86	NA	1.24	1.08
Hypoxanthine 13C5	ME934530	NA	2.13	NA	0.01	NA	0.01	NA	2.75	0.10
Glutathione 13C10	ME934526	NA	0.86	NA	0.51	NA	1.55	NA	1.68	0.41
L-alanine	ME934387	1.16	0.64	0.87	0.86	1.18	1.29	1.09	1.05	0.86
6-Hydroxykynurenic acid	ME934453	1.51	1.73	1.26	0.09	0.38	0.43	1.23	1.06	0.71
Histidine 13C6	ME934483	NA	0.13	NA	1.54	NA	0.16	NA	1.59	1.58
L-glutamine	ME934393	1.24	0.40	0.86	1.24	1.54	0.59	1.14	0.88	1.12
gamma-L-Glutamylputrescine	ME934426	0.48	0.25	0.59	2.78	0.84	0.27	0.35	0.84	2.60
Cadaverine	ME934434	2.86	2.09	1.71	0.04	0.05	0.05	0.05	1.24	0.27
Carnosine	ME934437	0.66	0.47	0.66	2.28	0.96	0.43	0.63	0.91	2.00
L-Homocysteine	ME934428	1.00	0.79	0.65	1.14	0.64	0.86	1.67	1.59	0.65
trans-4-Hydroxy-L-proline	ME934444	1.05	1.36	0.83	0.88	0.70	1.24	0.98	1.27	0.69
Glutathione 13C2	ME934519	NA	1.28	NA	0.01	NA	0.05	NA	3.28	0.05
Glutathione 13C3	ME934520	NA	1.01	NA	0.01	NA	0.16	NA	3.13	0.03
Glutamate 13C1	ME934473	NA	0.71	NA	0.10	NA	1.37	NA	1.96	0.25
Glutamine 13C1	ME934478	NA	0.65	NA	0.54	NA	1.23	NA	1.54	1.43
Cytosine	ME934411	0.67	0.96	0.35	0.47	1.21	1.51	2.82	0.72	0.28
Glutamate 13C5	ME934477	NA	0.97	NA	0.25	NA	0.14	NA	3.37	0.27
gamma-Glutamyl-gamma-aminobutyrate	ME934425	0.99	0.35	0.72	2.01	0.91	0.48	0.69	0.74	2.11
L-tryptophan	ME934402	1.33	0.75	0.75	1.12	0.92	0.63	1.45	0.92	1.14
S-Adenosyl-L-methionine	ME934430	2.18	1.71	1.40	0.07	0.24	0.43	1.31	1.05	0.30
Tryptophan 13C11	ME934505	NA	0.82	NA	0.58	NA	0.60	NA	2.54	0.46
CMP	ME934409	1.25	0.88	1.08	0.40	0.67	1.46	1.65	1.28	0.33
Creatine	ME934438	1.52	0.92	1.60	0.23	0.89	1.01	1.64	0.90	0.28
N-Acetyl-L-citrulline	ME934441	0.74	0.25	0.60	2.13	0.88	0.29	0.65	0.81	2.66
Indole	ME934449	1.24	0.90	0.82	1.11	1.04	0.76	1.10	0.98	1.04
Indole-3-acetate	ME934450	0.07	1.77	0.03	1.27	0.30	2.33	0.26	0.83	2.14
L-proline	ME934400	1.45	0.61	1.08	0.71	1.26	0.67	1.59	0.92	0.71
L-threonine	ME934401	1.23	0.65	0.92	1.08	1.17	0.68	1.25	0.96	1.06
acetyl-carnitine (acyl-C2)	ME934461	1.10	1.02	0.78	0.32	0.82	1.80	1.54	1.17	0.44
Acetylcholine	ME934459	1.07	0.46	1.19	0.23	1.81	1.35	1.28	1.29	0.32

Factors:

F1	Timepoint (h):18 \| LPS treatment (ng/ml):0 \| E coli viability:dead \| Multiplicity of infection:25 \| well vs insert source:NA
F2	Timepoint (h):18 \| LPS treatment (ng/ml):0 \| E coli viability:dead \| Multiplicity of infection:50 \| well vs insert source:well
F3	Timepoint (h):18 \| LPS treatment (ng/ml):0 \| E coli viability:live \| Multiplicity of infection:25 \| well vs insert source:NA
F4	Timepoint (h):18 \| LPS treatment (ng/ml):0 \| E coli viability:NA \| Multiplicity of infection:NA \| well vs insert source:insert
F5	Timepoint (h):18 \| LPS treatment (ng/ml):0 \| E coli viability:NA \| Multiplicity of infection:NA \| well vs insert source:NA
F6	Timepoint (h):18 \| LPS treatment (ng/ml):0 \| E coli viability:NA \| Multiplicity of infection:NA \| well vs insert source:well
F7	Timepoint (h):18 \| LPS treatment (ng/ml):500 \| E coli viability:NA \| Multiplicity of infection:NA \| well vs insert source:NA
F8	Timepoint (h):6 \| LPS treatment (ng/ml):0 \| E coli viability:dead \| Multiplicity of infection:50 \| well vs insert source:well
F9	Timepoint (h):6 \| LPS treatment (ng/ml):0 \| E coli viability:NA \| Multiplicity of infection:NA \| well vs insert source:insert

Data matrix