Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for A statistical analysis of the effects of urease pre-treatment on the measurement of the urinary metabolome by gas chromatography?mass spectrometry (Study ST000092)

MS positive ion mode (Analysis AN000146)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16	F17	F18	F19	F20	F21	F22	F23	F24	F25
DL-isoleucine	ME657754	2.62	NA	0.37	0.28	NA	NA	NA	NA	NA	8.27	0.99	0.05	1.57	NA	0.15	0.38	0.80	0.87	1.30	0.30	0.96	0.97	0.73	0.08	NA
dehydroalanine	ME657751	5.45	NA	0.09	0.30	1.01	1.21	1.78	0.71	1.33	1.05	4.03	0.06	0.26	NA	0.04	0.09	0.34	1.26	0.56	0.15	0.63	1.01	0.14	0.02	NA
urea (partial derivative)	ME657818	4.14	NA	1.22	3.16	1.17	0.91	0.98	0.60	0.95	0.96	4.07	0.51	0.03	NA	0.01	0.02	NA	0.34	NA	NA	0.13	0.24	0.02	0.01	NA
D-threitol	ME657759	2.11	3.55	0.38	0.88	0.49	0.45	1.15	0.36	0.41	0.33	1.27	0.20	2.34	3.30	0.36	0.84	0.44	0.54	1.13	0.49	0.45	0.40	0.88	0.18	4.20
glyceric acid	ME657768	1.27	3.72	0.01	0.18	NA	NA	NA	0.01	NA	0.01	0.63	0.01	0.16	0.93	0.01	0.03	0.07	0.13	0.30	0.05	0.09	0.09	0.08	0.01	3.71
D-lyxose	ME657755	0.60	1.20	0.10	0.22	NA	NA	NA	NA	NA	NA	0.44	0.06	1.70	1.87	0.15	0.38	NA	NA	NA	NA	NA	NA	0.83	0.06	1.02
7-methylxanthine	ME657738	0.69	1.42	0.06	0.17	NA	NA	NA	NA	NA	NA	0.36	0.04	0.80	1.50	0.05	0.15	NA	NA	NA	NA	NA	NA	0.34	0.02	1.54
beta-alanine	ME657743	0.53	1.91	0.09	0.19	NA	NA	NA	NA	NA	NA	0.34	0.05	0.66	0.96	0.08	0.20	NA	NA	NA	NA	NA	NA	0.35	0.04	1.62
2,3-dihydroxybutyric acid 1	ME657717	NA	1.91	NA	NA	1.02	1.28	1.34	0.37	1.12	1.35	NA	NA	NA	1.39	NA	NA	0.56	1.18	0.70	0.17	0.32	0.58	NA	NA	1.31
benzoic acid	ME657742	0.24	0.69	0.05	0.07	1.43	1.16	2.59	1.16	1.32	1.27	0.13	0.03	0.41	0.99	0.06	0.12	0.36	1.25	1.23	0.33	0.53	0.84	0.22	0.04	0.42
citramalic acid	ME657746	0.35	0.79	0.04	0.10	0.92	0.88	1.35	0.69	1.10	0.57	0.19	0.02	0.32	1.19	0.04	0.10	0.97	0.99	2.67	0.53	0.86	0.89	0.16	0.02	0.69
hypoxanthine	ME657774	0.70	1.54	0.08	0.20	0.30	0.20	1.38	0.17	0.49	0.30	0.41	0.05	0.52	3.56	0.02	0.09	0.37	0.30	1.98	0.96	0.44	0.43	0.24	0.03	1.75
L-cystine 2	ME657783	0.71	1.24	0.08	0.21	0.63	0.53	0.94	0.23	0.77	0.46	0.45	0.03	1.19	4.36	0.08	0.24	0.86	0.97	1.64	0.28	1.29	0.86	0.55	0.03	1.69
hippuric acid 1	ME657773	1.11	3.31	0.10	0.28	1.11	1.42	1.18	0.60	0.61	0.59	0.61	0.06	0.60	1.24	0.05	0.14	0.51	1.25	0.74	0.29	0.49	0.59	0.34	0.04	3.06
2,4-dihydroxybutyric acid	ME657719	0.81	2.95	0.11	0.25	0.85	0.63	0.87	0.42	0.62	0.50	0.46	0.05	1.01	2.26	0.10	0.25	0.83	0.80	1.03	0.36	0.72	0.66	0.49	0.05	2.09
L-(+) lactic acid	ME657778	0.92	2.53	0.19	0.29	0.79	0.50	1.15	0.47	0.51	0.53	0.54	0.09	1.30	1.83	0.15	0.34	0.43	1.03	1.08	0.22	0.35	0.58	0.66	0.09	3.12
DL-3-aminoisobutyric acid	ME657753	1.20	1.85	0.16	0.39	0.30	0.32	0.87	0.46	1.26	0.71	0.74	0.08	1.36	2.47	0.11	0.31	0.24	0.40	0.85	0.33	0.99	0.89	0.62	0.06	1.61
fructose	ME657762	1.14	2.25	0.14	0.35	0.22	0.85	0.73	0.27	0.63	0.72	0.70	0.07	1.45	2.71	0.13	0.33	0.24	1.06	0.95	0.22	0.76	0.88	0.67	0.07	2.16
glycerol-3-phosphate	ME657770	0.76	1.71	0.08	0.24	0.60	0.71	1.02	0.25	0.73	0.51	0.47	0.05	0.94	3.25	0.07	0.26	0.63	1.05	1.17	0.21	0.83	0.80	0.51	0.03	1.62
gluconic acid	ME657766	0.96	1.75	0.07	0.22	0.53	0.65	1.02	0.25	0.81	0.87	0.41	0.04	1.27	2.78	0.11	0.27	0.58	1.11	1.38	0.26	1.05	0.89	0.56	0.06	1.83
inositol	ME657775	1.15	1.99	0.09	0.32	0.62	0.89	1.21	0.48	0.76	0.76	0.66	0.06	1.36	2.51	0.09	0.29	0.61	1.18	1.42	0.42	0.83	0.93	0.60	0.05	2.02
2-deoxyribonic acid	ME657721	0.71	1.60	0.11	0.23	0.83	0.66	0.84	0.26	0.92	0.70	0.41	0.06	1.27	2.54	0.14	0.33	0.87	1.04	1.15	0.24	1.12	0.91	0.63	0.07	1.44
4-hydroxyphenylacetic acid	ME657735	0.97	1.83	0.11	0.29	0.74	0.53	0.81	0.52	0.92	0.71	0.56	0.06	1.24	2.36	0.11	0.30	0.72	0.66	0.98	0.45	1.03	0.94	0.61	0.06	1.68
glycolic acid	ME657772	0.59	1.56	0.07	0.15	1.37	1.26	0.81	0.30	0.77	0.83	0.30	0.03	0.97	2.31	0.10	0.25	1.46	1.73	1.07	0.29	0.97	1.07	0.48	0.05	1.51
arabitol	ME657741	1.12	1.20	0.13	0.33	1.13	0.87	1.18	0.34	0.99	0.85	0.66	0.07	1.35	1.36	0.12	0.32	1.05	1.11	1.43	0.29	1.12	1.07	0.64	0.06	1.15
D-glucose 1	ME657752	0.60	1.23	0.08	0.19	0.98	1.23	1.12	0.33	0.91	0.69	0.36	0.04	0.95	1.86	0.09	0.23	0.99	1.55	1.66	0.29	1.08	0.93	0.45	0.05	1.18
galacturonic acid 1	ME657764	0.51	1.15	0.07	0.15	0.97	0.91	1.13	0.40	0.66	0.76	0.30	0.04	1.67	2.23	0.09	0.27	1.15	1.37	1.46	0.43	0.94	0.95	0.59	0.04	1.13
alpha ketoglutaric acid	ME657739	0.40	3.03	0.04	0.13	0.71	0.59	0.70	0.28	0.65	0.33	0.23	0.02	0.49	3.27	0.04	0.11	0.63	0.77	0.90	0.27	0.68	0.42	0.23	0.02	2.59
3,4-dihydroxybutyric acid	ME657729	NA	1.97	NA	NA	0.56	0.63	0.87	0.25	0.52	0.53	NA	NA	NA	2.89	NA	NA	0.53	0.77	1.03	0.22	0.58	0.65	NA	NA	1.82
cholesterol	ME657745	NA	2.35	NA	NA	0.46	0.47	0.81	0.30	0.43	0.43	NA	NA	NA	2.53	NA	NA	0.44	0.58	0.94	0.21	0.47	0.46	NA	NA	2.55
2-keto-l-gluconic acid	ME657724	0.53	1.59	0.06	0.14	0.36	0.44	0.56	0.18	0.40	0.29	0.29	0.03	0.76	2.28	0.07	0.17	0.37	0.65	0.75	0.18	0.51	0.43	0.34	0.04	1.53
3-hydroxy-3-methylglutaric acid	ME657730	0.62	1.46	0.12	0.23	0.91	0.69	0.99	0.30	0.76	0.67	0.35	0.13	0.76	2.49	0.14	0.26	NA	NA	NA	0.02	0.32	NA	0.48	0.10	1.36
aminomalonic acid	ME657740	0.52	0.68	0.01	NA	0.32	0.35	0.67	0.11	0.26	0.17	0.24	0.01	2.02	4.41	0.00	0.15	1.10	1.91	2.49	0.11	0.59	0.84	0.38	0.01	0.77
lactose 1	ME657780	0.19	0.41	0.02	0.05	0.18	0.11	0.33	0.55	0.36	0.11	0.11	0.01	1.40	2.19	1.04	1.11	1.96	1.82	2.20	1.92	1.98	1.88	1.22	0.89	0.39
creatinine	ME657748	0.45	0.81	0.30	0.32	0.36	0.23	0.32	0.27	0.34	0.24	0.37	0.25	3.35	2.73	0.46	1.11	2.01	2.05	1.47	0.50	1.58	1.64	1.64	0.26	0.84
L-glutamic acid	ME657785	0.88	1.09	0.18	0.36	1.08	0.95	1.00	0.31	0.46	0.15	0.68	0.10	2.09	2.32	0.22	0.34	3.24	2.33	1.30	0.19	0.50	1.80	0.89	0.14	1.08
fumaric acid	ME657763	0.60	NA	0.25	0.61	3.42	2.26	3.93	0.94	1.65	1.64	1.02	0.23	0.65	NA	0.18	0.39	0.39	NA	0.54	0.26	0.38	0.44	0.43	0.10	NA
porphine	ME657805	1.08	NA	0.08	0.42	1.64	1.72	1.86	1.37	2.36	1.72	0.84	0.05	0.26	NA	0.05	0.11	0.17	0.66	0.37	0.13	0.33	0.45	0.18	0.03	NA
uracil	ME657817	0.78	NA	0.06	0.04	2.25	1.86	2.01	1.05	2.21	1.80	0.48	0.04	0.59	NA	0.07	0.13	0.26	0.45	0.32	0.16	0.33	0.50	0.31	0.06	NA
carbonate ion	ME657744	0.22	NA	0.12	0.11	0.26	0.27	0.23	0.25	0.25	0.27	0.15	0.11	1.39	NA	0.13	0.35	2.43	2.44	2.02	0.38	1.46	3.21	0.40	0.09	NA
succinic acid	ME657811	0.99	NA	0.12	0.42	NA	NA	NA	NA	NA	NA	0.73	0.04	0.77	NA	0.08	0.19	2.29	1.63	1.14	0.43	2.03	0.63	0.41	0.04	NA
pyruvic acid	ME657807	1.16	NA	0.44	0.47	0.89	0.82	1.91	0.34	0.61	0.69	0.78	0.44	4.47	NA	0.39	0.49	0.89	1.00	1.30	0.24	0.75	0.80	3.38	0.36	NA
ribose	ME657810	0.56	NA	0.20	0.32	1.23	1.15	1.27	0.54	0.90	0.79	0.37	0.12	4.15	NA	0.39	1.03	1.20	1.16	1.43	0.47	0.94	0.84	2.07	0.19	NA
D-sorbitol	ME657758	2.83	0.55	0.35	0.90	2.23	0.86	1.09	0.50	1.14	0.82	1.79	0.18	3.20	0.75	0.31	0.83	2.21	1.10	1.15	0.45	1.13	1.08	1.66	0.16	0.52
uric acid	ME657819	2.27	NA	0.66	1.49	0.98	0.77	1.02	0.81	0.88	0.83	1.48	0.36	3.86	NA	0.60	1.38	1.07	0.76	0.94	0.63	0.90	1.05	2.35	0.31	NA
glycine	ME657771	1.51	0.81	0.12	0.76	1.24	1.57	1.95	0.88	1.65	1.27	1.22	0.06	0.68	1.13	0.11	0.25	1.23	0.90	0.89	0.32	0.78	0.85	0.44	0.06	0.95
L-serine	ME657790	2.47	NA	0.19	0.47	1.84	1.43	1.66	0.52	1.43	1.17	1.71	0.10	1.61	NA	0.17	0.44	0.87	0.83	0.91	0.24	0.72	0.55	0.84	0.09	NA
1-methyl-histidine	ME657714	0.14	NA	0.01	0.05	0.76	0.99	0.95	0.48	0.98	0.88	0.09	0.01	0.24	NA	0.01	0.05	1.04	1.60	1.46	0.51	1.70	1.48	0.12	NA	NA
sucrose	ME657812	1.44	NA	0.16	0.38	0.26	0.47	1.80	1.01	0.97	0.31	0.83	0.09	1.75	NA	0.18	0.40	0.26	0.65	1.88	1.10	1.21	0.35	0.82	0.10	NA
2-methyl-3-hydroxypropanoic acid	ME657726	1.79	NA	0.24	0.43	1.04	0.80	1.20	0.45	0.84	0.90	0.88	0.10	3.02	NA	0.31	0.77	1.00	1.00	1.37	0.40	0.97	1.25	1.53	0.16	NA
L-tryptophan	ME657793	1.80	NA	0.22	0.54	0.97	0.70	1.06	NA	0.54	1.54	1.06	0.11	2.51	NA	0.17	0.53	0.90	1.04	1.42	NA	0.67	1.56	1.17	0.06	NA
L-histidine	ME657787	0.85	NA	0.16	0.38	1.64	1.66	1.38	0.10	1.15	1.40	0.60	0.07	1.27	NA	0.15	0.47	1.34	1.00	1.17	0.14	1.34	1.50	0.84	0.06	NA
pseudouridine	ME657806	1.46	NA	0.20	0.50	1.21	1.23	1.16	0.63	1.15	1.04	0.95	0.11	1.74	NA	0.19	0.48	1.18	1.28	1.00	0.56	1.18	1.06	0.93	0.10	NA
L-pyroglutamic acid	ME657789	1.52	NA	0.15	0.38	1.18	1.06	1.49	0.53	1.17	0.96	0.91	0.08	1.34	NA	0.14	0.34	0.81	1.14	1.34	0.18	1.02	0.97	0.64	0.08	NA
ribitol	ME657809	0.97	NA	0.12	0.29	1.57	0.83	1.48	0.31	1.17	0.84	0.57	0.06	1.39	NA	0.11	0.32	0.65	1.10	1.64	0.20	1.08	0.91	0.64	0.05	NA
L-lysine	ME657788	1.14	NA	0.17	0.43	1.08	0.74	1.06	0.21	1.16	0.70	0.77	0.08	1.63	NA	0.15	0.44	1.28	1.39	1.70	0.20	1.33	1.01	0.80	0.07	NA
L-threonic acid 1	ME657791	1.40	NA	0.16	0.41	0.91	0.84	1.33	0.45	0.88	0.73	0.82	0.08	1.98	NA	0.15	0.39	0.88	1.14	1.72	0.40	1.07	1.10	0.81	0.08	NA
xanthosine	ME657821	1.78	NA	0.17	0.41	0.91	0.98	1.44	0.31	0.84	0.77	0.93	0.10	2.02	NA	0.18	0.37	0.83	1.34	1.68	0.29	1.00	1.01	0.75	0.36	NA
D-mannitol	ME657757	1.14	NA	0.13	0.33	0.77	1.05	1.79	0.33	0.76	0.68	0.69	0.07	1.63	NA	0.14	0.36	0.79	1.37	1.61	0.31	1.24	0.84	0.74	0.08	NA
trans-aconitic acid	ME657815	1.21	NA	0.11	0.29	0.95	0.80	1.39	0.58	0.99	0.63	0.62	0.07	1.61	NA	0.12	0.33	0.90	1.12	1.77	0.51	1.19	0.88	0.71	0.06	NA
L-threonine	ME657792	1.29	NA	0.17	0.41	1.54	1.21	1.35	0.54	0.85	0.78	0.75	0.09	1.51	NA	0.16	0.39	1.21	2.01	1.70	0.30	0.93	0.90	0.77	0.08	NA
N-acetyl-D-mannosamine	ME657797	0.75	NA	0.08	0.16	1.04	1.37	1.20	0.44	1.08	0.87	0.46	0.03	1.80	NA	0.11	0.53	0.88	1.68	1.54	0.39	1.13	0.98	1.35	0.04	NA
L-glutamine	ME657786	0.36	NA	0.09	0.04	0.74	0.84	1.02	0.38	1.03	0.66	0.17	0.03	1.47	NA	0.09	0.28	0.97	1.36	1.61	0.34	1.26	1.33	0.62	0.03	NA
mucic acid	ME657796	0.72	NA	0.13	0.19	0.59	0.94	0.95	0.27	0.71	0.57	0.42	0.10	2.14	NA	0.18	0.48	1.13	1.98	2.04	0.41	1.51	1.05	0.93	0.10	NA
3-(3-hydroxyphenyl)-3-hydroxypropionic acid	ME657727	1.49	1.13	0.16	0.42	0.93	0.76	1.37	1.63	0.89	0.26	0.83	0.08	1.60	1.39	0.14	0.39	0.94	0.93	1.60	1.44	1.01	0.36	0.78	0.07	1.09
citric acid	ME657747	1.44	1.00	0.39	0.91	0.29	1.53	1.23	0.92	0.81	0.36	1.70	0.22	3.23	1.69	0.37	0.93	0.54	0.73	1.60	0.62	0.81	0.35	1.79	0.20	1.28

Factors:

F1	Urease Treatment:No treatment \| Volume Urine (µL):100 \| Gender:N/A \| Solution Added:N/A \| Ethnicity:N/A
F2	Urease Treatment:No treatment \| Volume Urine (µL):100 \| Gender:N/A \| Solution Added:None \| Ethnicity:N/A
F3	Urease Treatment:No treatment \| Volume Urine (µL):10 \| Gender:N/A \| Solution Added:N/A \| Ethnicity:N/A
F4	Urease Treatment:No treatment \| Volume Urine (µL):25 \| Gender:N/A \| Solution Added:N/A \| Ethnicity:N/A
F5	Urease Treatment:No treatment \| Volume Urine (µL):50 \| Gender:Female \| Solution Added:N/A \| Ethnicity:Asian
F6	Urease Treatment:No treatment \| Volume Urine (µL):50 \| Gender:Female \| Solution Added:N/A \| Ethnicity:Black
F7	Urease Treatment:No treatment \| Volume Urine (µL):50 \| Gender:Female \| Solution Added:N/A \| Ethnicity:Caucasian
F8	Urease Treatment:No treatment \| Volume Urine (µL):50 \| Gender:Female \| Solution Added:N/A \| Ethnicity:Hispanic
F9	Urease Treatment:No treatment \| Volume Urine (µL):50 \| Gender:Male \| Solution Added:N/A \| Ethnicity:Caucasian
F10	Urease Treatment:No treatment \| Volume Urine (µL):50 \| Gender:Male \| Solution Added:N/A \| Ethnicity:Hispanic
F11	Urease Treatment:No treatment \| Volume Urine (µL):50 \| Gender:N/A \| Solution Added:N/A \| Ethnicity:N/A
F12	Urease Treatment:No treatment \| Volume Urine (µL):5 \| Gender:N/A \| Solution Added:N/A \| Ethnicity:N/A
F13	Urease Treatment:Urease pre-treatment \| Volume Urine (µL):100 \| Gender:N/A \| Solution Added:N/A \| Ethnicity:N/A
F14	Urease Treatment:Urease pre-treatment \| Volume Urine (µL):100 \| Gender:N/A \| Solution Added:Urease \| Ethnicity:N/A
F15	Urease Treatment:Urease pre-treatment \| Volume Urine (µL):10 \| Gender:N/A \| Solution Added:N/A \| Ethnicity:N/A
F16	Urease Treatment:Urease pre-treatment \| Volume Urine (µL):25 \| Gender:N/A \| Solution Added:N/A \| Ethnicity:N/A
F17	Urease Treatment:Urease pre-treatment \| Volume Urine (µL):50 \| Gender:Female \| Solution Added:N/A \| Ethnicity:Asian
F18	Urease Treatment:Urease pre-treatment \| Volume Urine (µL):50 \| Gender:Female \| Solution Added:N/A \| Ethnicity:Black
F19	Urease Treatment:Urease pre-treatment \| Volume Urine (µL):50 \| Gender:Female \| Solution Added:N/A \| Ethnicity:Caucasian
F20	Urease Treatment:Urease pre-treatment \| Volume Urine (µL):50 \| Gender:Female \| Solution Added:N/A \| Ethnicity:Hispanic
F21	Urease Treatment:Urease pre-treatment \| Volume Urine (µL):50 \| Gender:Male \| Solution Added:N/A \| Ethnicity:Caucasian
F22	Urease Treatment:Urease pre-treatment \| Volume Urine (µL):50 \| Gender:Male \| Solution Added:N/A \| Ethnicity:Hispanic
F23	Urease Treatment:Urease pre-treatment \| Volume Urine (µL):50 \| Gender:N/A \| Solution Added:N/A \| Ethnicity:N/A
F24	Urease Treatment:Urease pre-treatment \| Volume Urine (µL):5 \| Gender:N/A \| Solution Added:N/A \| Ethnicity:N/A
F25	Urease Treatment:Water pre-treatment \| Volume Urine (µL):100 \| Gender:N/A \| Solution Added:Water \| Ethnicity:N/A

Data matrix