Elucidation of the dissociation pathways of electro-ionized estrone
Stéphane Bouchonnet1, Christophe Genty, Sophie Bourcier
1Laboratoire des Mécanismes Réactionnels UMR-7651, Ecole Polytechnique, 91128 Palaiseau Cedex, France. stephane.bouchonnet@dcmr.polytechnique.fr
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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