A Urine Metabonomics Study of Rat Bladder Cancer by Combining Gas Chromatography-Mass Spectrometry with Random Forest Algorithm

Table 1

Qualitative and quantitative results of 41 common chromatographic peaks in urine samples.

No.	(min)	Endogenous metabolites	Healthy group (Ax/Ai, n = 45)	Early stage (Ax/Ai, n = 45)	Medium stage (Ax/Ai, n = 45)	Advanced stage (Ax/Ai, n = 45)
1	5.922	Aminoethane	0.2456 ± 0.0705	0.1782 ± 0.0352	0.1905 ± 0.0567	0.1958 ± 0.0551
2	6.593	Ethylene glycol	0.0182 ± 0.0020	0.0373 ± 0.0107	0.0530 ± 0.0428	0.0746 ± 0.0626
3	6.840	N, N-diethylacetamide	0.0657 ± 0.0087	0.0584 ± 0.0099	0.0476 ± 0.0202	0.0557 ± 0.0107
4	7.716	Lactic acid	0.0872 ± 0.0374	0.0765 ± 0.02934	0.0952 ± 0.0592	0.1482 ± 0.2155
5	7.934	Acetic acid	0.0856 ± 0.0333	0.0341 ± 0.0254	0.0229 ± 0.0140	0.0412 ± 0.0203
6	10.010	Phosphate	2.1278 ± 0.9173	2.7785 ± 1.4037	1.4730 ± 0.7381	1.3767 ± 0.9361
7	10.200	l-threonine	0.0173 ± 0.0098	0.0052 ± 0.0029	0.0108 ± 0.0068	0.0096 ± 0.0065
8	10.297	Phenylacetic acid	0.0047 ± 0.0023	0.0183 ± 0.0054	0.0159 ± 0.0103	0.0147 ± 0.0097
9	10.382	Succinic acid	0.0311 ± 0.0129	0.0117 ± 0.0084	0.0098 ± 0.0031	0.0119 ± 0.0086
10	10.447	1, 2-Hydroquinone	0.0120 ± 0.0072	0.0103 ± 0.0073	0.0078 ± 0.0047	0.0067 ± 0.0039
11	10.503	Glyceric acid	0.0961 ± 0.0266	0.0250 ± 0.0120	0.0400 ± 0.0232	0.0183 ± 0.0087
12	10.723	(R, R)-2, 3-dihydroxybutanoic acid	0.0167 ± 0.0053	0.0045 ± 0.0013	0.0037 ± 0.0014	0.0053 ± 0.0029
13	11.357	2, 4-Dihyoxybutanoic acid	0.0147 ± 0.0051	0.0131 ± 0.0041	0.0155 ± 0.0080	0.0166 ± 0.0047
14	11.583	(R, S)-3, 4-dihydroxybutanoic acid	0.0304 ± 0.0098	0.0161 ± 0.0053	0.0132 ± 0.0064	0.0178 ± 0.0107
15	11.797	N-(1-oxobutyl)- glycine	0.0653 ± 0.0244	0.0191 ± 0.0096	0.0319 ± 0.0186	0.0274 ± 0.0151
16	12.341	Isovaleroglycine	0.0356 ± 0.0134	0.0134 ± 0.0041	0.0160 ± 0.0079	0.0107 ± 0.0073
17	12.483	D-threitol	0.0714 ± 0.0273	0.0665 ± 0.0260	0.0290 ± 0.0130	0.0251 ± 0.0151
18	12.645	N-crotonyl glycine	0.0240 ± 0.0146	0.328 ± 0.0074	0.0207 ± 0.0129	0.0148 ± 0.0099
19	12.973, 13.203	2, 3, 4-Trihydroxybutyrate	0.1276 ± 0.0162	0.0475 ± 0.0244	0.0631 ± 0.0343	0.0412 ± 0.0250
20	14.530	N-(1-oxohexyl)-glycine	0.0960 ± 0.0319	0.0112 ± 0.039	0.0421 ± 0.0273	0.0232 ± 0.0081
21	14.580	3-Hydroxyphenylacetic acid	0.0326 ± 0.0100	0.0122 ± 0.0910	0.0140 ± 0.0081	0.0134 ± 0.0088
22	14.713	D-xylose	0.0408 ± 0.0150	0.0225 ± 0.0206	0.0182 ± 0.0044	0.0193 ± 0.0053
23	14.823, 15.057	D-ribose	0.0926 ± 0.0370	0.0682 ± 0.0340	0.0252 ± 0.0142	0.0250 ± 0.0179
24	15.509, 15.733	Arabitol	0.0287 ± 0.0164	0.0252 ± 0.0168	0.0283 ± 0.0179	0.0278 ± 0.0215
25	16.023	6-Deoxy-D-galactose	0.0336 ± 0.0083	0.0370 ± 0.0064	0.0177 ± 0.0100	0.0149 ± 0.0104
26	16.087	Mannonic acid	0.0505 ± 0.0177	0.0419 ± 0.0168	0.0211 ± 0.0143	0.0168 ± 0.0138
27	16.200	cis-Aconitic acid	0.0535 ± 0.0288	0.0524 ± 0.0209	0.0105 ± 0.0079	0.0168 ± 0.0147
28	16.357	Phosphoric acid	0.0414 ± 0.0202	0.0463 ± 0.0177	0.0230 ± 0.0141	0.0212 ± 0.0168
29	17.177	Isocitric acid	0.0348 ± 0.0121	0.0410 ± 0.0157	0.0140 ± 0.0093	0.0248 ± 0.0138
30	17.563	Hippuric acid	0.0470 ± 0.0126	0.0201 ± 0.0111	0.0180 ± 0.0074	0.0156 ± 0.0096
31	17.850, 17.960	D-fructose	0.0512 ± 0.0286	0.0728 ± 0.0106	0.0371 ± 0.0145	0.0480 ± 0.0131
32	18.087	N-phenyl glycine	0.0596 ± 0.0214	0.0363 ± 0.0194	0.0455 ± 0.0272	0.0389 ± 0.0287
33	18.197, 18.147	D-glucose	0.3785 ± 0.1618	0.2254 ± 0.1328	0.1741 ± 0.0654	0.1859 ± 0.0736
34	18.507	Altronic acid	0.0302 ± 0.0069	0.0164 ± 0.0106	0.0185 ± 0.0100	0.0102 ± 0.0074
35	18.577, 18.650	D-sorbitol	0.0896 ± 0.0269	0.0623 ± 0.0171	0.0254 ± 0.0187	0.0300 ± 0.0275
36	18.983, 19.533	Galactonic acid	0.0613 ± 0.0282	0.0387 ± 0.0186	0.0617 ± 0.0328	0.0441 ± 0.0351
37	19.990	Palmitic acid	0.0084 ± 0.0009	0.0085 ± 0.0047	0.0067 ± 0.0017	0.0071 ± 0.0025
38	20.403	Myo-inositol	0.0347 ± 0.0228	0.0089 ± 0.0033	0.0097 ± 0.0037	0.0134 ± 0.0129
39	25.465	D-turanose	0.0216 ± 0.0138	0.0145 ± 0.0118	0.0197 ± 0.0090	0.0510 ± 0.0099
40	25.653, 25.783	D- (+)-lactose monohydrate	1.0400 ± 0.3349	0.9997 ± 0.2385	0.7475 ± 0.2366	0.6559 ± 0.3286
41	25.927	Lactose	0.0142 ± 0.0043	0.0231 ± 0.0039	0.0143 ± 0.0075	0.0190 ± 0.0163

No: the serial number of the common peak; : retention time. A_x/A_i: the ratio of the peak area of the analyte to that of the internal standard.