Resolving overlapping GC-MS signals with a multistep screening chemometric approach for the fast determination of pesticides.

摘要: For the rapid analysis of multicomponent mixtures using GC-MS, a chemometric multistep screening approach was proposed to extract signals components from overlapping measured with very fast temperature program. At first, independent component used find all possible mass spectra signal in moving windows along retention time, and iterative target transformation factor employed validate existence extracted each window. Then, identical validated were excluded match ratio as criterion. Finally, chromatographic profiles for spectrum calculated non-negative immune algorithm, reasonable profile taken identified components. A mixture 53 pesticides analyzed program 7 min. total 48 16 interferences GC-MS signal.