Table 5. ROC curve analysis of detected markers.

Comparison	Marker	AUC	P a	Best value of separation	Sensitivity %	Specificity %
CP vs CTRL
	2-butanone	.756	.027	2.90	75	79
	2- or 3-pentanone	.768	.021	1.08	75	64
	C8-ketone	.815	.006	.10	83	64
	C9-ketone	.756	.027
	Monoterpene	.887	.001	2.16	83	86
	Terpene related	.810	.007	.39	83	64
	S-compound	.208	.012	.11	83	72
	Sulfoxide-compound	.756	.027
	N-compound	.768	.021	.19	83	64
	Heptadienol	.768	.021	1.48	83	72
	Methanol	.738	.040	485.73	58	86
CP-A vs CTRL
	C9-ketone	.786	.048	.099	67	99.7
	Monoterpene	.774	.058	2.16	66	96
	N-compound	.929	.003	.26	83	94
	Dimethyl sulphide	.750	.083	6.28	83	64
CP-A vs CP-B+C
	2-butanone	.139	.037	178.5	83	99
	2- or 3-pentanone	.167	.055	1.13	1	67
	C8-ketone	.056	.010	.11	1	67
	Monoterpene	.000	.004	6.7	1	99
	S-compound	.861	.037	0.04	83	99
	NS-compound	.028	.006	.85	1	83
	N-compound	.917	.016	.14	83	99
	Heptadienol	.000	.004	2.30	1	83

^aNull hypothesis: true area = 0.5.