Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003439)

Reversed phase NEGATIVE ION MODE (Analysis AN005671)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16
Mimosine	ME902524	1.01	8.89	0.71	0.93	NA	1.05	0.81	1.10	1.20	0.27	0.84	1.08	0.51	0.52	0.57	1.34
2-Cyclopentylphenol	ME902508	0.64	0.28	0.65	0.38	NA	2.29	1.09	0.39	1.88	0.90	2.55	0.33	0.75	0.45	0.79	0.51
4-Hydroxy-5-(3-methoxyphenyl)pentanoic acid	ME902517	0.35	0.54	0.59	0.50	NA	1.85	1.44	0.39	1.49	1.13	2.88	0.39	0.75	0.62	1.44	0.64
Glycocholic acid	ME902440	0.77	0.34	1.31	0.38	NA	2.26	1.10	0.56	0.32	0.11	0.29	2.46	0.67	0.61	0.55	1.37
Taurochenodeoxycholate	ME902452	1.63	0.10	2.01	0.25	NA	1.50	1.11	0.95	0.74	0.38	0.16	2.15	0.71	0.29	0.16	0.56
Taurodeoxycholic acid	ME902496	1.63	0.10	2.01	0.25	NA	1.50	1.11	0.95	0.74	0.38	0.17	2.15	0.71	0.29	0.16	0.56
Sorbitol/Manitol	ME902449	0.85	1.86	1.28	0.23	NA	1.78	1.77	0.20	1.23	1.86	1.54	0.20	1.06	1.85	1.09	0.31
3-Methyl-2-oxovaleric acid	ME902460	1.14	2.55	1.31	0.78	NA	0.99	0.92	0.88	0.89	1.32	0.88	0.76	0.99	1.97	0.83	0.97
4-Methyl-2-oxovaleric acid (ketoleucine)	ME902463	1.05	2.90	1.10	0.72	NA	1.09	1.17	0.72	1.14	2.11	1.00	0.76	1.07	1.39	0.95	0.68
Orotidine	ME902526	0.97	0.72	0.97	0.85	NA	0.89	0.89	0.73	0.63	0.62	0.72	0.63	2.21	0.78	2.05	1.25
Saccharine	ME902448	1.07	0.55	1.06	0.52	NA	1.43	0.65	1.09	0.59	0.54	0.27	1.34	2.27	0.39	0.53	1.30
4-Hydroxyhippuric acid	ME902461	0.80	0.20	0.51	1.22	NA	1.62	1.59	1.06	1.02	2.22	0.48	1.00	1.12	0.41	0.61	0.71
Naringenin	ME902486	1.78	1.02	1.87	2.01	NA	0.71	0.70	0.70	0.66	0.79	0.63	0.66	0.78	0.80	0.72	0.78
deoxyxylulose monophosphate	ME902519	0.82	0.76	1.09	1.06	NA	0.81	1.35	0.77	1.20	1.28	1.11	0.74	0.92	2.10	0.74	0.79
Galactonic acid	ME902437	0.64	0.55	1.26	1.66	NA	0.68	1.49	0.56	1.13	1.46	1.17	0.52	0.86	2.48	0.58	0.60
(±)11-HETE	ME902503	1.09	0.29	0.93	1.03	NA	1.22	1.12	1.50	0.76	0.37	0.83	0.77	0.67	0.35	0.92	1.51
1,7-Dimethyluric acid	ME902506	0.69	0.39	0.62	0.90	NA	0.89	0.87	1.38	0.95	0.38	0.62	1.41	0.53	0.33	0.84	1.86
Acesulfame	ME902431	1.14	0.56	0.78	0.96	NA	0.72	0.74	1.78	0.74	0.82	0.68	1.48	0.48	0.70	0.44	1.97
4-tert-Amylphenol	ME902510	0.60	0.32	0.99	0.99	NA	1.29	1.38	0.86	0.82	1.44	2.20	0.74	0.70	0.64	1.12	0.70
Homocitrulline	ME902474	0.65	0.57	0.85	0.87	NA	1.41	1.56	1.38	0.84	0.80	0.90	0.83	0.90	0.77	1.05	0.90
2-Methylbutyrylglycine	ME902458	0.75	0.61	1.10	0.72	NA	1.44	1.59	0.73	0.71	0.91	1.40	0.70	0.92	1.05	1.25	0.88
N-Iso-Valerylglycine	ME902488	0.76	0.61	1.09	0.74	NA	1.43	1.59	0.72	0.71	0.94	1.40	0.71	0.92	1.05	1.25	0.88
(2xi)-D-gluco-heptonic acid	ME902515	0.57	1.58	1.03	0.71	NA	1.02	1.52	0.84	0.88	1.63	1.25	0.73	1.03	1.46	1.51	0.87
Pyruvic acid	ME902491	0.77	1.44	0.91	0.67	NA	1.04	1.35	0.92	0.94	1.83	1.22	0.91	1.06	1.51	1.01	0.82
Hydroxybutyric acid	ME902475	1.47	1.20	1.37	0.90	NA	1.24	0.96	0.79	1.08	1.18	0.90	0.64	1.11	0.85	0.80	0.66
L-(+)-Erythrulose	ME902522	0.89	1.42	0.99	0.58	NA	1.45	1.48	0.71	1.13	1.40	1.39	0.62	1.04	1.18	0.92	0.60
Beta-alanine	ME902467	1.05	1.29	1.08	0.58	NA	1.53	1.14	0.58	1.31	1.07	1.11	0.55	1.23	1.06	1.27	0.66
Creatine	ME902435	1.04	1.26	1.09	0.55	NA	1.56	1.21	0.56	1.32	1.13	1.12	0.51	1.22	1.06	1.27	0.64
Hexadecanedioic acid	ME902442	0.90	0.51	0.78	0.95	NA	0.96	0.99	1.06	0.85	0.98	0.86	1.20	1.25	1.29	1.04	1.08
Hydroxyisocaproic acid	ME902476	0.87	0.49	0.77	0.82	NA	1.34	1.08	0.78	0.91	0.36	0.97	1.08	1.12	1.47	0.61	1.42
Citrulline	ME902434	0.79	1.27	0.85	1.40	NA	0.78	0.87	1.42	0.72	0.97	0.75	1.36	0.77	0.98	0.85	1.34
Quinic acid	ME902447	0.73	0.92	0.67	1.28	NA	0.73	0.99	1.54	0.81	0.74	0.76	1.45	0.83	0.83	0.74	1.38
Uridine	ME902499	0.89	1.04	0.74	1.54	NA	0.81	0.79	1.34	0.82	0.78	0.69	1.45	0.77	0.72	0.76	1.37
cis-Aconitic acid	ME902468	0.73	1.37	0.75	1.36	NA	1.01	1.15	1.67	0.65	1.14	0.73	1.27	0.58	0.62	0.53	1.37
N-Acetylornithine	ME902484	0.89	1.39	1.01	1.35	NA	0.85	1.02	1.49	0.74	0.91	0.72	1.26	0.76	0.62	0.85	1.06
Deoxy-hexose2	ME902470	1.06	1.43	1.00	1.41	NA	0.82	1.09	1.13	0.81	0.75	0.75	0.94	0.83	0.97	0.78	1.25
Succinic acid	ME902450	1.03	1.01	1.17	1.40	NA	0.97	1.02	1.22	0.80	0.72	0.74	0.85	0.83	0.75	0.99	1.08
Malic acid	ME902446	0.73	0.72	0.87	1.40	NA	0.95	0.94	1.51	0.84	0.71	1.14	1.32	0.65	0.81	0.70	0.92
(2R)-7-Methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl β-D-glucopyranoside	ME902505	0.90	0.73	0.89	1.09	NA	1.27	1.01	1.14	0.90	0.44	0.86	1.13	1.13	0.90	0.72	1.16
4-Hydroxyproline	ME902462	0.74	1.08	0.85	1.11	NA	1.18	0.97	1.34	0.77	0.89	0.90	1.13	0.91	1.01	1.18	0.98
Aspartic acid	ME902466	0.91	0.97	0.81	1.04	NA	1.11	0.73	1.10	1.05	0.93	0.81	1.27	1.11	0.81	0.92	1.16
Allantoin	ME902464	0.86	0.90	0.83	1.25	NA	1.23	0.95	1.28	0.91	0.88	0.79	1.04	0.89	0.64	0.92	1.12
Glutamic acid	ME902438	0.89	0.76	0.87	1.11	NA	0.98	0.87	1.41	0.88	0.63	0.89	1.20	0.86	0.73	1.02	1.18
α-aminobutyric acid	ME902501	0.96	0.90	0.90	1.07	NA	0.99	0.86	1.33	0.93	0.75	0.93	1.16	0.88	0.79	0.98	1.11
Dodecanedioic acid	ME902436	1.01	1.58	0.73	0.82	NA	0.96	0.99	0.83	1.17	1.49	1.04	1.47	0.96	1.06	0.84	0.90
N-Acetyl-phenylalanine	ME902485	1.13	1.07	1.22	1.23	NA	0.84	1.03	0.89	0.89	1.52	0.92	1.14	0.88	0.82	0.96	0.83
N1-[4-(acetylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxamide	ME902511	1.29	0.71	0.86	1.05	NA	0.88	1.01	1.01	1.26	0.84	0.92	1.15	0.75	0.68	0.87	1.06
2-Phenyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-3-one	ME902509	1.27	0.94	1.21	1.30	NA	1.01	1.01	1.01	1.00	1.14	0.96	1.00	0.73	0.67	0.79	0.73
γ-Aminobutyric acid (GABA)	ME902502	1.07	0.97	1.04	1.16	NA	0.96	0.91	1.12	1.05	0.93	1.15	1.00	0.91	0.62	0.92	0.86
16-Hydroxyhexadecanoic acid	ME902507	1.11	0.71	1.03	1.21	NA	1.04	1.22	1.06	0.96	0.97	0.71	1.17	0.83	0.85	0.86	0.91
Cystine	ME902469	1.03	0.62	1.11	1.07	NA	0.92	1.22	1.07	1.12	1.16	1.02	0.92	0.76	0.84	1.03	0.79
Linolenic acid	ME902479	0.89	0.98	0.73	1.02	NA	1.18	0.82	1.36	0.76	1.35	0.77	1.10	1.05	1.14	0.77	1.26
N-Acetylaspartic acid	ME902483	0.74	1.14	0.83	1.06	NA	1.14	1.28	1.40	0.82	1.31	0.96	1.03	0.76	1.03	0.79	0.95
Methionine sulfoxide	ME902481	1.04	1.40	0.97	0.90	NA	1.30	1.00	0.92	1.08	0.64	0.98	0.79	1.13	0.87	1.13	0.91
Hexose1	ME902443	1.00	1.01	0.97	0.92	NA	1.07	1.03	0.89	1.11	1.25	1.04	0.97	1.07	0.93	1.01	0.92
Tetradecanedioic acid	ME902453	0.95	0.91	0.86	0.86	NA	0.95	0.99	0.87	1.10	1.25	1.02	1.26	1.09	1.09	0.89	1.03
Lysine	ME902480	1.01	1.26	1.00	1.06	NA	0.95	0.92	1.01	1.00	1.01	0.98	1.04	0.98	1.08	0.97	1.02
Serine	ME902494	1.01	1.07	0.98	1.17	NA	0.92	0.82	1.17	0.92	1.01	0.87	1.16	0.93	1.04	0.89	1.06
Arginine	ME902432	1.08	1.07	0.93	1.02	NA	1.00	0.89	1.07	1.05	0.98	0.89	1.06	0.99	0.91	0.94	1.06
Ornithine	ME902489	1.02	1.09	0.98	1.09	NA	1.02	0.86	1.09	1.03	0.84	1.01	1.05	0.91	0.92	0.87	1.06
Isocitric acid	ME902445	0.89	1.36	0.92	1.01	NA	1.08	1.13	1.05	0.89	1.05	1.01	1.01	0.96	0.92	1.02	1.03
5-Methoxysalicylic acid	ME902430	0.93	1.27	0.93	0.99	NA	1.25	1.05	0.99	0.96	0.96	1.02	0.83	1.11	0.86	0.94	1.03
N-Acetyl-alanine	ME902482	0.93	1.26	0.92	0.92	NA	1.24	1.13	0.96	1.01	1.03	1.00	0.91	1.00	0.91	1.05	0.96
Threonic acid	ME902497	0.86	0.96	0.91	1.00	NA	1.16	1.15	1.08	0.96	0.84	1.03	0.98	0.93	0.93	0.93	1.03
δ-Gluconolactone	ME902456	0.89	1.06	0.94	0.88	NA	1.11	1.11	1.01	1.01	0.87	1.07	0.97	0.96	1.11	0.99	1.04
Glyceric acid	ME902472	0.89	1.16	0.94	1.16	NA	0.99	1.00	1.08	0.95	0.88	1.21	1.11	0.82	0.93	0.84	0.99
Glycolic acid	ME902473	0.92	1.16	0.96	1.14	NA	1.10	1.08	1.04	1.01	0.81	1.03	0.96	0.89	0.92	0.92	0.96
Histidine	ME902444	0.85	1.27	0.96	1.14	NA	0.99	1.01	1.10	0.87	1.12	1.00	1.12	0.87	1.16	0.86	1.04
2-Furoic acid	ME902516	0.68	1.23	0.87	1.18	NA	1.03	1.21	1.09	0.78	1.08	1.10	1.13	0.78	1.13	0.80	1.11
Citric acid	ME902433	0.76	1.33	0.89	1.14	NA	0.95	1.18	1.09	0.77	1.11	1.05	1.15	0.90	1.17	0.83	1.09
Sarcosine	ME902493	0.85	1.20	0.94	1.07	NA	0.90	1.03	1.03	0.87	1.29	1.15	1.12	0.86	1.32	0.88	1.06
Asparagine	ME902465	0.86	1.17	0.93	1.06	NA	0.91	0.93	1.05	0.93	1.14	1.04	1.09	1.03	1.29	0.97	1.02
camalexin	ME902518	0.89	1.32	0.96	1.03	NA	0.97	0.96	1.04	0.96	1.26	0.95	1.05	1.06	1.23	0.96	0.95
Hypoxanthine	ME902477	0.90	1.35	0.90	1.15	NA	0.92	0.90	1.08	1.02	1.19	0.83	1.12	0.99	0.86	0.99	1.17
Taurine	ME902451	0.89	1.56	0.95	1.15	NA	0.80	0.86	1.11	0.87	1.20	0.85	1.14	0.94	1.10	1.11	1.25
Xanthine	ME902455	0.89	1.34	0.92	1.10	NA	0.93	0.86	1.00	0.91	1.07	0.99	1.02	0.98	1.26	1.17	1.19
Hydroxynorleucine	ME902521	0.83	1.67	1.18	0.91	NA	0.98	1.14	0.95	0.90	1.22	1.19	0.87	0.89	1.41	1.11	0.89
Miglitol	ME902523	0.82	1.59	1.18	0.90	NA	0.98	1.14	0.95	0.90	1.21	1.20	0.86	0.89	1.42	1.10	0.88
Phenylalanine	ME902490	0.99	1.36	1.00	0.78	NA	1.24	1.07	0.88	1.08	1.07	1.10	0.85	1.07	1.10	1.01	0.88
2-oxoglutaric acid	ME902459	0.84	1.43	0.96	0.87	NA	1.08	1.05	0.98	0.98	1.07	1.29	0.98	0.96	1.18	1.03	0.90
Lactic acid	ME902478	0.91	1.40	0.97	0.93	NA	1.06	1.10	0.90	0.96	1.29	1.08	0.95	0.99	1.17	1.05	0.98
2-Ethylhydracrylic acid	ME902457	1.02	1.03	1.10	1.05	NA	1.30	1.05	0.96	0.99	1.08	0.86	0.73	1.02	0.87	0.93	0.96
g-Butyrobetaine	ME902520	1.02	1.42	1.14	1.02	NA	1.30	1.12	0.98	0.90	1.16	0.88	0.78	0.90	1.09	0.94	0.87
N-[(2S)-2-Hydroxypropanoyl]valine	ME902525	1.02	1.51	1.21	0.99	NA	1.33	1.08	0.94	0.89	1.24	0.89	0.79	0.89	1.11	0.93	0.87
N-formylmethionine	ME902487	0.87	1.66	0.82	0.92	NA	1.51	1.57	0.97	0.97	0.86	0.87	0.80	0.89	0.73	0.89	0.88
Tryptophan	ME902454	0.97	2.16	1.01	1.10	NA	0.75	0.90	1.19	0.90	1.23	0.96	1.22	0.80	1.08	0.81	1.11
vanillic acid	ME902500	1.05	2.01	1.00	1.10	NA	1.20	1.07	0.99	0.89	1.08	0.88	0.86	1.03	0.79	0.82	1.01
Torsemide	ME902514	0.89	0.51	0.42	0.36	NA	1.52	3.50	0.55	1.08	0.31	1.19	0.39	0.78	0.81	0.59	0.72
3-phenyllactic acid	ME902429	0.52	0.68	0.42	0.37	NA	3.88	1.80	0.53	0.94	0.55	0.74	0.45	0.82	0.79	0.68	0.72
NP-021797	ME902513	0.55	0.78	0.58	0.57	NA	3.99	2.51	0.55	0.69	1.67	0.35	0.41	0.78	0.57	0.33	0.52
N-Acetylvaline	ME902512	1.11	1.14	0.70	0.58	NA	2.92	1.33	0.68	1.00	0.99	1.07	0.47	0.70	0.79	0.76	0.64
Glucuronic acid	ME902471	1.14	0.94	0.89	0.34	NA	2.38	1.47	0.38	1.52	0.31	0.93	0.49	1.08	0.52	0.94	0.49
Ribulose-5-phosphate	ME902492	1.18	0.92	0.93	0.32	NA	2.47	1.68	0.38	1.50	0.30	0.89	0.47	1.12	0.44	0.75	0.48
Glycochenodeoxycholic acid	ME902439	0.76	0.23	1.36	0.58	NA	2.32	2.12	0.96	0.35	0.15	0.43	1.23	0.76	0.49	0.33	0.77
(±)12(13)-DiHOME	ME902504	1.08	0.65	0.91	1.22	NA	2.45	1.66	0.93	0.56	0.82	0.54	0.64	0.61	0.67	0.70	0.50
Traumatic Acid	ME902498	0.63	0.58	0.91	0.89	NA	2.43	2.28	0.91	0.62	0.90	0.49	0.66	0.68	0.67	0.63	0.71
Glycoursodeoxycholic acid/GUDCA	ME902441	0.63	0.31	0.32	0.27	NA	0.31	0.30	0.35	0.65	0.17	2.91	3.32	0.51	0.55	1.02	2.09
Taurocholic acid	ME902495	0.41	0.28	0.72	0.21	NA	0.48	0.26	0.79	0.27	0.16	0.31	5.89	0.51	0.53	0.37	1.68

Factors:

F1	Sample source:blood \| Group:Control \| Timepoint:-1
F2	Sample source:blood \| Group:Control \| Timepoint:-2
F3	Sample source:blood \| Group:Control \| Timepoint:-3
F4	Sample source:blood \| Group:Control \| Timepoint:Pre
F5	Sample source:blood \| Group:QC \| Timepoint:NA
F6	Sample source:blood \| Group:Sepsis \| Timepoint:-1
F7	Sample source:blood \| Group:Sepsis \| Timepoint:-3
F8	Sample source:blood \| Group:Sepsis \| Timepoint:Pre
F9	Sample source:blood \| Group:SIRS \| Timepoint:-1
F10	Sample source:blood \| Group:SIRS \| Timepoint:-2
F11	Sample source:blood \| Group:SIRS \| Timepoint:-3
F12	Sample source:blood \| Group:SIRS \| Timepoint:Pre
F13	Sample source:blood \| Group:Uncomplicated Infection \| Timepoint:-1
F14	Sample source:blood \| Group:Uncomplicated Infection \| Timepoint:-2
F15	Sample source:blood \| Group:Uncomplicated Infection \| Timepoint:-3
F16	Sample source:blood \| Group:Uncomplicated Infection \| Timepoint:Pre

Data matrix