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Elucidation of the dissociation pathways of electro‐ionized estrone
Author(s) -
Bouchonnet Stéphane,
Genty Christophe,
Bourcier Sophie,
Sablier Michel
Publication year - 2010
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/rcm.4477
Subject(s) - chemistry , electron ionization , mass spectrometry , fragmentation (computing) , estrone , dissociation (chemistry) , ion , mass spectrum , ionization , analytical chemistry (journal) , photochemistry , chromatography , organic chemistry , biochemistry , computer science , hormone , operating system
Abstract With the future aim of using gas chromatography coupled with mass spectrometry to characterize the transformation products of estrone submitted to UV‐photolysis or to waste water treatment plants, an interpretation of the electron impact mass spectrum of estrone is presented. Fragmentation mechanisms are proposed on the basis of high‐resolution measurements performed with a magnetic sector analyzer. Multiple‐stage mass spectrometry experiments were carried out using an ion trap mass spectrometer. The structures proposed for product ions were confirmed by the m/z shifts observed in the estrone‐d 4 and estrone methyl ether electron ionization mass spectra. If the formation of some of the most abundant ions may easily be explained by α ‐cleavages and retro‐Diels‐Alder type rearrangements, complex mechanisms need to be considered to rationalize the formation of others. Isotope labelling allows discrimination of isobaric ions. Copyright © 2010 John Wiley & Sons, Ltd.