Table 1. One compound and discriminant factor analysis model for gas chromatography mass spectrometry data.

			One compound model			Discriminant factor analysis model
Cell lines	n	Comparison	Compound	Accuracy (receiver operating characteristic)	Wilcoxon P-value	Compound	Accuracy (leave-one-out)	Wilcoxon P-value
3KT vs 3KTR	28	−/+ KRAS	None			Octanal+1-methylethyl benzene+2-phenoxyethanol+1-butanol	91%	<0.0001
3KT53 vs 3KTR53	12	−/+KRAS	2-Methylpropene	86%	0.0374	2,2,4-Trimethylpentane+2-methylpropene	92%	0.004
3KT and 3KT53 vs 3K TR and 3KTR53	40	−/+KRAS	None			2,4-Dimethylheptane+cyclohexanone+decanal+2-methylpropene	86%	<0.0001
3KT vs 3KT53	18	−/+TP53	Benzaldehyde	82%	0.0312	2-Methyloctane+acetone	83%	0.001
3KTR vs 3KTR53	22	−/+TP53	Tridecane	79%	0.0325	Ethanol+acetone+2-methylpropene	100%	0.0004
3KT and 3KTR vs 3KT53 and 3KTR53	40	−/+TP53	Benzaldehyde	77%	0.0066	Benzaldehyde+tetradecane+2-methylpropene+2,2,4-trimethylpentane	83%	<0.0001
3KT vs 3KTR53	18	−/+KRAS and TP53	Benzaldehyde	82%	0.0312	Ethanol+2-methylpropene	94%	0.0007
3KTR vs 3KT53	22	KRAS vs TP53	1,2,4-Trimethylbenzene	87%	0.027	Decane+tridecane	86%	0.01
3KT vs 3KTR and 3KT53 and 3KTR53	40	Any mutation	Benzaldehyde	71%	0.0417	Ethanol+2-hydroxy benzaldehyde+benzaldehyde+decanal	80%	0.0002