Mass spectrometric characterization of urinary toremifene metabolites for doping control analyses.
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Other documents of the author: Hernandez, Felix; Díaz San Pedro, Ramón; Sancho, Juan V; Gómez, C.; Pozo, Óscar J.; Vilaroca, Enrique; Salvador, Jhon P; Marco, M. P.; Segura, Jordi; Ventura, Rosa
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Show full item recordcomunitat-uji-handle:10234/9
comunitat-uji-handle2:10234/7013
comunitat-uji-handle3:10234/8638
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http://dx.doi.org/10.1016/j.chroma.2011.05.073 |
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Title
Mass spectrometric characterization of urinary toremifene metabolites for doping control analyses.Author (s)
Date
2011-07Publisher
© 2011 ElsevierISSN
0021-9673Type
info:eu-repo/semantics/articlePublisher version
http://www.sciencedirect.com/science/article/pii/S0021967311007345Version
info:eu-repo/semantics/publishedVersionSubject
Abstract
Toremifene is a selective estrogen receptor modulator included in the list of prohibited substances in sport by the World Anti-doping Agency. The aim of the present study was to investigate toremifene metabolism in ... [+]
Toremifene is a selective estrogen receptor modulator included in the list of prohibited substances in sport by the World Anti-doping Agency. The aim of the present study was to investigate toremifene metabolism in humans in order to elucidate the structures of the most abundant urinary metabolites and to define the best marker to detect toremifene administration through the analysis of urine samples. Toremifene (Fareston®) was administered to healthy volunteers and the urine samples were subjected to different preparation methods to detect free metabolites as well as metabolites conjugated with glucuronic acid or sulphate. Urinary extracts were analyzed by LC–MS/MS with triple quadrupole analyzer using selected reaction monitoring mode. Transitions for potential metabolites were selected by using the theoretical [M+H]+ as precursor ion and m/z 72 or m/z 58 as product ions for N,N-dimethyl and N-desmethyl metabolites, respectively. Toremifene and 20 metabolites were detected in excretion study samples, excreted free or conjugated with glucuronic acid or sulphate. Structures for most abundant phase I metabolites were proposed using accurate mass measurements performed by QTOF MS, based on fragmentation pattern observed for those metabolites available as reference standards. Several metabolic pathways including mono- and di-hydroxylation, N-desmethylation, hydroxymethylation, oxidation, dehalogenation and combinations were proposed. All metabolites were detected up to one month after toremifene administration; the most abundant metabolites were detected in the free fraction and they were metabolites resulting from dehalogenation. Several of the metabolites elucidated in this work have not been reported until now in the scientific literature. [-]
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Journal of Chromatography A (July 2011), vol. 1218, no. 29, 4727–4737Rights
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info:eu-repo/semantics/restrictedAccess
info:eu-repo/semantics/restrictedAccess
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