title: 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.
authors.affiliation: Laboratoire des Mécanismes Réactionnels UMR-7651, Ecole Polytechnique, 91128 Palaiseau Cedex, France. stephane.bouchonnet@dcmr.polytechnique.fr
authors.forename: Stéphane
authors.initials: S
authors.lastname: Bouchonnet
authors.forename: Christophe
authors.initials: C
authors.lastname: Genty
authors.forename: Sophie
authors.initials: S
authors.lastname: Bourcier
authors.forename: Michel
authors.initials: M
authors.lastname: Sablier
mesh_terms: D004970:Estrone / Q000031:analogs & derivatives / Q000737:chemistry*; D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods*; D008956:Models, Chemical; D053719:Tandem Mass Spectrometry / Q000379:methods*
chemical_list: D004970:Estrone