Determination of drug residues in the environment is currently a hot topic in analytical chemistry. It is thus absolutely necessary to develop analytical methodologies appropriate to determine both parent drug compounds and degradants formed from in vivo and environmental reactions. In this research we studied MS2 and MS3 fragmentations of phenazone, employing a high-mass-accuracy Orbitrap mass spectrometer, equipped with an ESI source. Tandem mass spectra (positive and negative ion mode) were compared with EI mass spectra. In order to elucidate fragments and assign ions, we acquired also spectra of an analogous compound (edaravone) and of deuterated phenazone. Both the cation and the anion that are generated in electrospray ionization fragment through loss of small molecules and radicals. Extensive hydrogen scrambling and migration of phenyl/methyl radicals were discussed.
ESI HRMSn fragmentation pathways of phenazone, an N-heterocyclic drug compound
MEDANA, Claudio;CALZA, Paola;DEAGOSTINO, Annamaria;DAL BELLO, Federica;BAIOCCHI, Claudio
2011-01-01
Abstract
Determination of drug residues in the environment is currently a hot topic in analytical chemistry. It is thus absolutely necessary to develop analytical methodologies appropriate to determine both parent drug compounds and degradants formed from in vivo and environmental reactions. In this research we studied MS2 and MS3 fragmentations of phenazone, employing a high-mass-accuracy Orbitrap mass spectrometer, equipped with an ESI source. Tandem mass spectra (positive and negative ion mode) were compared with EI mass spectra. In order to elucidate fragments and assign ions, we acquired also spectra of an analogous compound (edaravone) and of deuterated phenazone. Both the cation and the anion that are generated in electrospray ionization fragment through loss of small molecules and radicals. Extensive hydrogen scrambling and migration of phenyl/methyl radicals were discussed.File | Dimensione | Formato | |
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