3P-38 PDF
Structural elucidation of pesticide transformation products with ion mobility spectrometry
Ion mobility mass spectrometry was applied to elucidate the chemical structure of isomeric unknown transformation products of a pesticide. The elucidation was conducted by comparing determined CCS values with simulated value. The simulation was performed by the Trajectory method using the MobCal Assist soft wear. The determined value and the simulated one were almost identical on each isomer, but no isomer was elucidated because of similar CCS values among the isomers. Thus, four derivatized isomers with benzoyl chloride, 1-naphthoyl chloride, 4-(4,5-diphenyl-imidazol-2-yl)benzoyl chloride or anthraquinone-2-carbonyl chloride were examined to emphasis the difference of CCS values among the isomers. Significant differences among the derivatized isomers were simulated.