Abstract

The computer program ISODET recognizes isotope cluster patterns in the mass spectra of the GC-MS analysis of atoms of chlorine, bromine, sulphur and chlorine/bromine combinations. The decision parameters used in the algorithm of the method were calculated by treating 2, 535 mass spectra from the NBS database. The result of the analysis is a graphic output (isotope cluster chromatograms) and tabulated output. The applicability and the reliability of the isotope detector and the mode of using the input program parameters are discussed. The reliability of the correct recognition of isotope clusters evaluated by means of the spectra from the NBS database was 92% for chlorinated and brominated compounds but only 51%, for sulphur containing compounds.

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