Table 1.

Results obtained by applying the regression procedures under study to simulated mixtures with three components and 5% random noise (average for n = 250 replicates).

		compound
regression	parameter	Bz	C9	THF
MLR	RMSEP	1.95	1.22	2.02
SMLR	RMSEP	1.73	1.27	2.08
	selected m/z	38, 50, 74, 78	55, 57, 70, 85, 98, 128	40, 72
RR	RMSEP	0.88	1.03	1.67
	θa	0.029	0.030	0.028
PCR	RMSEP	2.45	2.09	3.58
	selected PCsb	1	2	2
PLSR	RMSEP	2.45	2.08	3.55
	selected PCsb	1	2	2

^aθ, ridge factor [24].

^bSelected PCs, number of principal components for the minimum value of RMSEP.