title: Computerized separation of chromatographically unresolved peaks.
abstract: A computerized peak deconvolution software and mass spectra were successfully applied for the deconvolution of overlapped peak cluster in the chromatogram obtained separating the complex mixture of pesticides by retention time locking gas chromatography-mass spectroscopy. The method based on the unique fragment ions in the spectra can be used for deconvolution of peak clusters if mass spectra of overlapped peaks differ. This method allows determining actual retention times of overlapped peaks. Peak areas found by this method however, cannot be used naturally for the quantitative purposes as the abundance of fragment ions used for this deconvolution procedure can dramatically differ. Computer assisted deconvolution of peaks in the peak clusters gives more realistic peak area ratios as at this method it is supposed equal response for all peaks overlapped in a cluster.
authors.affiliation: Department of Analytical Chemistry, Chemical and Food Technology, Slovak Technical University, Radlinskeho 9, 81237 Bratislava, Slovakia. jan.krupcik@stuba.sk
authors.forename: J
authors.initials: J
authors.lastname: Krupcík
authors.forename: J
authors.initials: J
authors.lastname: Mydlová
authors.forename: I
authors.initials: I
authors.lastname: Spánik
authors.forename: B
authors.initials: B
authors.lastname: Tienpont
authors.forename: P
authors.initials: P
authors.lastname: Sandra
mesh_terms: D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods*; D010575:Pesticides / Q000302:isolation & purification*; D012984:Software
chemical_list: D010575:Pesticides