FACTOR-ANALYSIS OF REPETITIVELY SCANNED SPECTRA IN GAS CHROMATOGRAPHY-MASS SPECTROMETRY - NUMBER OF COMPONENTS IN PARTIALLY RESOLVED PEAKS

Matrix rank analysis and principal components analysis have been employed to examine spectra recorded by repetitive scanning during computerized gas chromatography-mass spectrometry with a commercially available system. The number of significant components in partially resolved peaks is given by reference to internal standards. Peak shape need not be strictly maintained during the analysis and no prior knowledge of the pure component spectra is required. The method should allow the detection of hidden impurities, and the determination of the number of components is important for the mathematical resolution of their spectra when chromatography is only partially successful. © 1979.