The mass spectrometer as a chlorine-selective chromatographic detector : I. Description and evaluation of the technique

Abstract

A computer program to selectively locate the mass spectra of chlorinated compounds in a gas chromatography—mass spectrometry data set is described. The method is based on a search for chlorine isotope patterns and functions as a chlorine-selective “detector”. Its performance has been evaluated using the EPA/NIH Mass Spectral Data Base of 31,333 mass spectra. Ninety-five percent of the chlorinated compounds in the library were “found”; and mass spectra of chlorinated compounds were assigned scores which averaged 18 times higher than those of non-chlorinated species. Positive and negative interferences discussed.