title: Estrone direct photolysis: by-product identification using LC-Q-TOF.
abstract: The identification of degradation products generated upon photolysis of estrone (E1), a natural estrogenic hormone, under simulated UV irradiation conditions was addressed by the use of LC-Q-TOF mass spectrometry. The structures of the main degradation products were elucidated, demonstrating how the use of model molecules 5,6,7,8-tetrahydro-2-naphtol (THN), 2-methylcyclopentanone (MCP), labeled molecule estrone D(4) (E1-D(4)), the investigation of the fragmentation pathways of the parent E1, the concurrent use of CID and exact mass measurements permit the characterization of structural modifications induced by photodegradation processes. In the present study, we identified nine major by-products of which seven photoproducts correspond to E1H(+) modified in positions other than the C-2, C-4 and C-16 of E1. Most of them showed one to three additional hydroxylations preferentially located on the aromatic ring of the parent E1, which confirms that these products may present environmental risk. Applications to real water samples have been conducted to extend the validity of the present study to environmental samples.
authors.affiliation: Ecole Polytechnique, Laboratoire des Mécanismes Réactionnels, CNRS, route de Saclay, 91128 Palaiseau cedex, France.
authors.forename: Yasmine
authors.initials: Y
authors.lastname: Souissi
authors.forename: Sophie
authors.initials: S
authors.lastname: Bourcier
authors.forename: Stéphane
authors.initials: S
authors.lastname: Bouchonnet
authors.forename: Christophe
authors.initials: C
authors.lastname: Genty
authors.forename: Michel
authors.initials: M
authors.lastname: Sablier
mesh_terms: D002853:Chromatography, Liquid; D004970:Estrone / Q000737:chemistry*; D005618:Fresh Water / Q000737:chemistry*; D007700:Kinetics; D008956:Models, Chemical; D010782:Photolysis; D014874:Water Pollutants, Chemical / Q000737:chemistry*
chemical_list: D014874:Water Pollutants, Chemical; D004970:Estrone