Table 1 List of VOCS, from the analysis of samples prepared at pH 7, selected as important in discriminating PCa cell lines from normal cell lines (22RV1 vs PNT2, PC3 vs PNT2, DU145 vs PNT2 and LNCaP vs PNT2). VOCs are characterized by their IUPAC name. Values for p-values percentage of variation, effect size (ES), standard error (ES_SE) and area under the curve (AUC) are represented for each VOC.

From: Discrimination between the human prostate normal and cancer cell exometabolome by GC-MS

Chemical name (IUPAC) or common name	22RV1 vs PNT2				PC3 vs PNT2				DU145 vs PNT2				LNCaP vs PNT2
Chemical name (IUPAC) or common name	p value	Variation ± uncertainty	ES ± ES_SE	AUC	p value	Variation ± uncertainty	ES ± ES_SE	AUC	p value	Variation ± uncertainty	ES ± ES_SE	AUC	p value	Variation ± uncertainty	ES ± ES_SE	AUC
*Alcohols*
3-Methylbut-3-en-2-ol		↑	↑										0.0018 ^P	↑34.78 ± 7.88	↑1.48 ± 0.88	0.86
2,7-Dimethyloctan-1-ol (dihydro-citronellol)	>0.05	↓	↓		<0.0001 ^P	↓74.48 ± 7.90	↓5.91 ± 1.84	1	>0.05	↑	↑		>0.05	↓32.61 ± 28.71	↓
2-(4-Methylcyclohex-3-en-1-yl)propan-2-ol (α-Terpineol)					<0.0001 ^P	↓58.47 ±4.51	↓7.22 ± 2.18	1
3,7-Dimethyloct-7-en-1-ol (α-citronellol)	0.0096	↓48.80 ± 20.30	↓1.26 ± 0.85	0.81	<0.0001 ^P	↓58.00 ± 21.18	↓1.52 ± 0.88	0.98	<0.001 ^P	↓73.13 ± 23.15	↓1.86 ± 0.95	1	>0.05	↑137.92 ± 28.06	↑1.14 ± 0.84
Decan-1-ol									0.0251	↑18.24 ± 6.65	↑1.01 ± 0.84	0.77
*Esters*
1-Methoxypropan-2-yl acetate	>0.05	↓ 30.40 ± 16.70	↓0.85 ± 0.81						>0.05	↑72.03 ± 8.56	↑1.11 ± 0.85		0.0447	↑70.57 ± 18.49	↑ 1.11 ± 0.83	0.74
*Ketones*
Pentadecan-2-one	<0.0001 ^P	↑ 203.50 ± 5.40	↑7.34 ± 2.22	1	<0.0001 ^P	↑848.29 ± 6.06	↑10.53 ± 3.07	1	0.0007 ^P	↑58.66 ± 10.04	↑1.89 ± 0.96	0.94	<0.0001 ^P	↑73.12 ± 9.26	↑2.27 ± 1.01	0.98
*Aromatic hydrocarbon like*
1,4-Xylene					>0.05	↓10.74 ± 6.87	↓		>0.05	↑89.15 ± 32.29	↑		0.0011 ^P	↑182.61 ± 24.11	↑1.56 ± 0.89	0.88
Naphthalene	0.0011 ^P	↑ 49.20 ± 8.80	↑1.76 ± 0.92	0.88
*Aldehydes*
2-Methylundecanal					0.0029 ^P	↑ 58.67 ± 11.00	↑1.54 ± 0.89	0.84	0.0037	↓31.88 ± 10.31	↓ 1.41 ± 0.88	0.84		↑71.77 ± 15.15	↑1.37 ± 0.86	0.82
*Others*
1,3-Benzothiazole	<0.0001 ^P	↓75.00 ± 6.80	↓6.91 ± 2.10	1	<0.0001 ^P	↓70.22 ± 7.35	↓7.03 ± 2.13	1	0.0348	↓23.35 ± 8.56	↓1.02 ± 0.84	0.70	<0.0001 ^P	↓69.91 ± 7.11	↓5.96 ± 1.86	1
Unknowns
Unknown 2									0.0414	↓32.26 ± 15.95	↓0.92 ± 0.83	0.71
Unknown 3									>0.05	↓20.36 ± 12.46	↓		0.0204	↑30.56 ± 10.07	↑1.04 ± 0.83	0.78
Unknown 7	0.0011 ^P	↓ 58.30 ± 22.20	↓1.46 ± 0.88	0.88	>0.05	↓	↓		0.0010 ^P	↓23.26 ± 6.27	↓1.63 ± 0.91	0.85	0.0023 ^P	↓34.10 ± 15.37	↓1.05 ± 0.83	0.85
Unknown 8	0.0024	↑14.60 ± 3.80	↑1.43 ± 0.87	0.84					>0.05	↓9.18 ± 5.37	↓		>0.05	↑	↑
Unknown 12									0.0338	↑20.39 ± 7.80	↑0.96 ± 0.84	0.76
Unknown 13	<0.0001 ^P	↑63.50 ± 4.70	↑4.03 ± 1.38	1	<0.0001 ^P	↑177.78 ± 6.14	↑6.03 ± 1.87	1	>0.05	↑	↑		0.0016 ^P	↑36.55 ± 7.49	↑1.63 ± 0.90	0.85
Unknown 14	0.0003 ^P	↑58.60 ± 10.10	↑1.76 ± 0.92	0.91	<0.0001 ^P	↑181.87 ± 4.63	↑8.10 ± 2.42	1	>0.05	↓	↓

^PAlterations remaining significant after Bonferroni correction, with cutoff p value of: 2.17 × 10⁻³ (0.05 divided by 23 analyzed VOCs) for 22RV1 vs PNT2; 3.12 × 10⁻³ (0.05 divided by 16 analyzed VOCs) for PC3 vs PNT2; 1.85 × 10⁻³ (0.05 divided by 27 analyzed VOCs) for DU145 vs PNT2; and 2.38 × 10⁻³ (0.05 divided by 21 analyzed VOCs) for LNCaP vs PNT2.

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