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Collision‐induced fragmentation pathways including odd‐electron ion formation from desorption electrospray ionisation generated protonated and deprotonated drugs derived from tandem accurate mass spectrometry
Author(s) -
Williams Jonathan P.,
Nibbering Nico M. M.,
Green Brian N.,
Patel Vibhuti J.,
Scrivens James H.
Publication year - 2006
Publication title -
journal of mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 1076-5174
DOI - 10.1002/jms.1091
Subject(s) - chemistry , fragmentation (computing) , mass spectrometry , tandem mass spectrometry , collision induced dissociation , triple quadrupole mass spectrometer , analytical chemistry (journal) , electrospray , ion source , selected reaction monitoring , electron ionization , ion , electrospray ionization , quadrupole mass analyzer , ionization , chromatography , organic chemistry , computer science , operating system
The rapid desorption electrospray ionisation (DESI) of some small molecules and their fragmentation using a triple‐quadrupole and a hybrid quadrupole time‐of‐flight mass spectrometer (Q‐ToF) have been investigated. Various scanning modes have been employed using the triple‐quadrupole instrument to elucidate fragmentation pathways for the product ions observed in the collision‐induced dissociation (CID) spectra. Together with accurate mass tandem mass spectrometry (MS/MS) measurements performed on the hybrid Q‐ToF mass spectrometer, unequivocal product ion identification and fragmentation pathways were determined for deprotonated metoclopramide and protonated aspirin, caffeine and nicotine. Ion structures and fragmentation pathway mechanisms have been proposed and compared with previously published data. The necessity for elevated resolution for the differentiation of isobaric ions are discussed. Copyright © 2006 John Wiley & Sons, Ltd.