Elucidation of the dissociation pathways of electro-ionized estrone.

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 alpha-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.
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Submitted on : Tuesday, October 12, 2010 - 12:14:14 AM
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Stéphane Bouchonnet, Christophe Genty, Sophie Bourcier, Michel Sablier. Elucidation of the dissociation pathways of electro-ionized estrone.. Rapid Communications in Mass Spectrometry, Wiley, 2010, 24 (7), pp.973-978. ⟨10.1002/rcm.4477⟩. ⟨hal-00525497⟩



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