Elucidation of the dissociation pathways of electro-ionized estrone.
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.
Bouchonnet
Stéphane
S
Laboratoire des Mécanismes Réactionnels UMR-7651, Ecole Polytechnique, 91128 Palaiseau Cedex, France. stephane.bouchonnet@dcmr.polytechnique.fr
Genty
Christophe
C
Bourcier
Sophie
S
Sablier
Michel
M
D004970:Estrone / Q000031:analogs & derivatives / Q000737:chemistry*; D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods*; D008956:Models, Chemical; D053719:Tandem Mass Spectrometry / Q000379:methods*
D004970:Estrone