Multivariate curve resolution applied to MS/MS data obtained from isomericmixtures

Multivariate curve resolution (MCR) was applied to MS/MS data for modeling isomeric mixtures. A. pentaquadrupole mass spectrometer consisting of three mass analyzing and two reaction quadrupoles was used to obtain a second-or der data from mixtures of 2-, 3- and 4-ethylpyridine. MCR allowed recoverin g of the mass spectral profiles of the three: isomers as well as the concen tration distribution profiles. The results indicate that MCR is a suitable tool for MS/MS data analyses to distinguish and quantify the positional iso mers in mixtures. (C) 2001 Elsevier Science B.V, All rights reserved.