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Mechanistic aspects of high‐energy collision‐induced dissociation proximate to the charge in saturated fatty acid N ‐butyl esters cationized with lithium. Evidence for hydrogen radical removal
Author(s) -
Nizigiyimana Libérata,
Rajan Padinchare K.,
Haemers Achiel,
Claeys Magda,
Derrick Peter J.
Publication year - 1997
Publication title -
rapid communications in mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 136
eISSN - 1097-0231
pISSN - 0951-4198
DOI - 10.1002/(sici)1097-0231(19971030)11:16<1808::aid-rcm43>3.0.co;2-r
Subject(s) - chemistry , fragmentation (computing) , dissociation (chemistry) , ion , isotopomers , bond cleavage , photochemistry , collision induced dissociation , bond dissociation energy , hydrogen , mass spectrum , medicinal chemistry , mass spectrometry , tandem mass spectrometry , organic chemistry , molecule , catalysis , chromatography , computer science , operating system
The high‐energy collision‐induced dissociation spectra of [M + Li] + ions of n ‐butyl palmitate or heptadecanoate and their labelled isotopomers containing a 2 H 2 ‐label at the C‐2, C‐3 and C‐4 positions are reported. As is the case for positions remote from the charge, the removal of a hydrogen radical at proximate positions has been found to be an initial and decisive fragmentation reaction when [M + Li] + ions are subjected to high‐energy collision‐induced dissociation. It is also demonstrated that direct C–C cleavage involving γ bonds relative to the carbonyl bond or bonds more remote from the charge may be regarded as a secondary fragmentation route. Direct C–C cleavage of the β bond should, however, be considered as a reaction competitive with C–H cleavage in the formation of the corresponding distonic ions. © 1997 John Wiley & Sons, Ltd.