Table 3: Differences in SPME-GC-MS peaks and concentrations of biomarkers between pairs of urine mixture samples for healthy volunteers, patients with bladder cancer, and patients with prostate cancer.

Peak #	Compound	parameters	Healthy volunteers		Bladder cancer (post-antibiotic pro.)		Bladder cancer		Prostate cancer (endocrine therapy)		Prostate cancer		prostate cancer-mimic sample
Peak #	Compound	parameters	H1–3	H4–6	post-TUR K:U_m	pre-TUR K:U_m	post-TUR N:U_m	pre-TUR N:U_m	post-RP Pe:U_m	pre-RP Pe:U_m	post-RP P:U_m	pre-RP P:U_m	prostate cancer-mimic sample
Peak height (a.u. in the upper row) and concentration (ppb in the lower row) in the original urine mixture sample
81	Phenol	peak height	171	104	1,715	338	70	279	267	3,349	157	5,261
		concentration (ppb)	49	30	489	96	20	80	76	955	45	1,500	334
		m/z = 94.0; retention time (min) = 12.157 (12.477 for DB-5MS column; 32.663 for InertCap Pure WAX column)
		relat.to_healthy U_m	1.24	0.76	12.4	2.45	0.51	2.03	1.94	24.3	1.14	38.2	8.5
		relat.to_healthy #81	1.24	0.76	12.4	2.45	0.51	2.03	1.94	24.3	1.14	38.2	0.22
		relat.to_#70	0.010	0.007	0.094	0.016	0.004	0.016	0.016	0.180	0.013	0.283	(/pre-RP)
101	Dimetyl succinate	peak height	74	68	705	240	153	125	222	3,236	212	8,464
		concentration (ppb)	0.59	0.54	5.58	1.90	1.21	0.99	1.76	25.6	1.68	67.0	19.7
		m/z = 115.0; retention time (min) = 13.995 (14.320 in DB-5MS column; 23.740 for InertCap Pure WAX column)
		relat.to_healthy U_m	1.04	0.96	9.90	3.38	2.15	1.76	3.13	45.5	2.98	119	34.9
		relat.to_healthy #81	0.54	0.49	5.11	1.74	1.11	0.91	1.61	23.5	1.54	61.4	0.29
		relat.to_#70	0.005	0.004	0.04	0.01	0.01	0.007	0.01	0.17	0.02	0.46	^(/pre-RP)
104	Acetophenone	peak height	1,471	1,154	12,159	1,304	1,156	1,079	5,428	5.1×10⁴	3,979	8.2×10⁴
		concentration (ppb)	0.86	0.68	7.14	0.77	0.68	0.63	3.19	29.9	2.34	48.0	9.2
		m/z = 105.0; retention time (min) = 15.073 (15.383 in DB-5MS column; 25.040 for InertCap Pure WAX column)
		relat.to_healthy U_m	1.12	0.88	9.26	0.99	0.88	0.82	4.13	38.7	3.03	62.3	12.0
		relat.to_healthy #81	10.7	8.37	88.2	9.45	8.39	7.82	39.4	369	28.9	593	0.19
		relat.to_#70	0.09	0.08	0.67	0.06	0.07	0.06	0.33	2.74	0.32	4.40	^(/pre-RP)
109	2-Phenyl-2-propanol	peak height	2,297	2,839	2.4×10⁴	3,903	1,472	1,289	9413	9.5×10⁴	8379	1.8×10⁵
		concentration (ppb)	2.00	2.47	20.5	3.40	1.28	1.12	8.19	82.7	7.29	160	16.3
		m/z = 121.0; retention time (min) = 15.738 (16.081 in DB-5MS column; 27.607 for InertCap Pure WAX column)
		relat.to_healthy U_m	0.89	1.11	9.18	1.52	0.57	0.50	3.67	37.0	3.26	71.6	7.3
		relat.to_healthy #81	16.7	20.6	171	28.3	10.7	9.35	68.3	689	60.8	1,334	0.10
		relat.to_#70	0.14	0.19	1.30	0.19	0.09	0.07	0.57	5.12	0.68	9.90	^(/pre-RP)
119	3,5,5-Trimethyl-2-cyclohexenone	peak height	580	366	1.5×10⁶	628	694	273	6.4×10⁴	5.7×10⁵	7.5×10⁴	1.2×10⁶
		concentration (ppb)	0.14	0.09	352	0.15	0.16	0.06	15.3	135	17.8	290	128
		m/z = 138.0; retention time (min) = 16.883 (17.288 in DB-5MS column; 23.787 for InertCap Pure WAX column)
		relat.to_healthy U_m	1.23	0.77	3,148	1.33	1.47	0.58	136	1,206	159	2,592	1,142
		relat.to_healthy #81	4.21	2.65	10,791	4.56	5.03	1.98	467	4,133	544	8,886	0.44
		relat.to_#70	0.035	0.024	81.9	0.030	0.043	0.016	3.90	30.7	6.12	66.0	^(/pre-RP)
123	Dimethyl glutarate	peak height	314	267	261	253	211	178	491	8229	648	2.2×10⁴
		concentration (ppb)	3.8	3.2	3.2	3.1	2.6	2.2	6.0	100	7.9	270		208
		m/z = 129.0; retention time (min) = 17.369 (17.708 in DB-5MS column; 26.337 for InertCap Pure WAX column)
		relat.to_healthy U_m	1.08	0.92	0.90	0.87	0.73	0.61	1.69	28.3	2.23	76.4		58.9
		relat.to_healthy #81	2.28	1.93	1.89	1.84	1.53	1.29	3.56	59.7	4.70	161		0.77
		relat.to_#70	0.019	0.018	0.014	0.012	0.013	0.010	0.030	0.443	0.053	1.20		^(/pre-RP)
129	2,6-Xylidine	peak height	302	302	1,250	1,312	419	639	1,835	1.8×10⁴	1,140	4.9×10⁴
		concentration (ppb)	not determined due to a significant desorption-resistant amount											+10.5
		m/z = 121.0; retention time (min) = 18.263 (18.586 in DB-5MS column; 29.497 for InertCap Pure WAX column)
		relat.to_healthy U_m	1.00	1.00	4.14	4.34	1.39	2.11	6.07	58.9	3.77	161
		relat.to_healthy #81	2.19	2.19	9.06	9.52	3.04	4.63	13.31	129	8.27	352		‒
		relat.to_#70	0.018	0.020	0.069	0.063	0.026	0.037	0.11	0.96	0.093	2.61		^(/pre-RP)
152	Piperitone	peak height	1,422	5,831	296	2,409	297	241	3,158	2.1×10⁴	468	7.9×10⁴
		concentration (ppb)	0.83	3.41	0.17	1.41	0.17	0.14	1.85	12.3	0.27	46.0		9.3
		m/z = 110.0; retention time (min) = 20.947 (21.336 in DB-5MS column; 27.057 for InertCap Pure WAX column)
		relat.to_healthy U_m	0.39	1.61	0.08	0.66	0.08	0.07	0.87	5.78	0.13	21.7		4.4
		relat.to_healthy #81	10.3	42.3	2.14	17.5	2.15	1.75	22.9	152	3.39	570		0.20
		relat.to_#70	0.087	0.384	0.016	0.115	0.019	0.014	0.191	1.13	0.038	4.23		^(/pre-RP)
155	2-Hydroxy-2-methylpropiophenone	peak height	153	98	134	130	124	122	631	5,959	1,157	1.5×10⁴
		concentration (ppb)	2.05	1.31	1.80	1.73	1.65	1.63	8.43	79.6	15.5	200		15.5
		m/z = 105.0; retention time (min) = 21.7 (22.027 in DB-5MS column; 34.293 for InertCap Pure WAX column)
		relat.to_healthy U_m	1.22	0.78	1.07	1.03	0.98	0.97	5.02	47.4	9.20	119		9.20
		relat.to_healthy #81	1.11	0.71	0.97	0.94	0.90	0.88	4.58	43.2	8.39	109		0.08
		relat.to_#70	0.009	0.006	0.007	0.006	0.008	0.007	0.038	0.32	0.094	0.81		^(/pre-RP)
165	2,6-Di(propan-2-yl)phenol	peak height	122	111	68	140	369	4,693	130	1.6×10⁴	160	2.6×10⁴
		concentration (ppb)	0.02	0.01	0.01	0.02	0.05	0.60	0.02	2.00	0.02	3.30		0.02
		m/z = 163.0; retention time (min) = 23.76 (24.263 in DB-5MS column; 33.039 for InertCap Pure WAX column)
		relat.to_healthy U_m	1.05	0.95	0.58	1.20	3.16	40.2	1.12	134	1.37	222		1.37
		relat.to_healthy #81	0.89	0.81	0.49	1.02	2.68	34.0	0.94	113	1.16	188		0.01
		relat.to_#70	0.007	0.007	0.004	0.007	0.023	0.273	0.008	0.843	0.013	1.39		^(/pre-RP)