Anal. Chem. 1997, 69, 4721-4727
Mixture Analysis Using Membrane Introduction Mass Spectrometry and Multivariate Calibration Susan K. Ohorodnik,† Ronald E. Shaffer,† John H. Callahan,* and Susan L. Rose-Pehrsson
Naval Research Laboratory, Chemistry Division, Code 6113, 4555 Overlook Avenue S.W., Washington, D.C. 20375-5342
Membrane introduction mass spectrometry has been coupled with multivariate calibration for the analysis of volatile organic compound (VOC) mixtures. Three mixtures of increasing complexity were modeled using multivariate calibration methods. Multivariate calibration models built using partial least-squares (PLS) regression were compared with univariate calibration for the analysis of a benzene, toluene, and p-xylene (BTX) mixture and an ethylbenzene and p-xylene (EX) mixture. The univariate and multivariate calibration methods performed similarly for the BTX mixture with prediction errors of
