ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Classification of Chlorinated Phenols by Pattern Recognition Method on the Basis of Mass Spectra Losses

P. Jurášek, M. Slimák, R. Brežný, Š. Vodný, and M. Košík

Department of Wood, Pulp and Paper, Faculty of Chemical Technology, Slovak Technical University, CS-812 37 Bratislava

Abstract: Chlorinated phenols were classified by the pattern recognition method PRIMA. For the purpose of the classification new characteristic features based on significant mass spectra losses were derived. Principal component 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 the 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.

Full paper in Portable Document Format: 472a93.pdf

Chemical Papers 47 (2) 93–98 (1993)