CLASSIFICATION OF CHLORINATED PHENOLS BY PATTERN-RECOGNITION METHOD ON THE BASIS OF MASS-SPECTRA LOSSES

Chlorinated phenols were classified by the pattern recognition method PRIMA. For the purpose of the classification new characteristic featur es based on significant mass spectra losses were derived. Principal co mponent analysis was used to present the separability of the selected classes. In the application of this approach there is no need for the spectral library and the spectra are interpreted much faster than by t he library search methods. A reliability of the applied procedure for library spectra corresponded to 92 %. In the model mixture, 18 out of 21 substances were classified correctly.