Mass spectrometric identification and characterization of new clomiphene metabolites in human urine by liquid chromatography-quadrupole time-of-flight tandem mass spectrometry

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• 作者：Jianghai Lu^a ; ^{lujianghai@chinada.cn} ; Genye He^a ; Xiaobing Wang^a ; Youxuan Xu^a ; Yun Wu^a ; Ying Dong^a ; Zhenwen He^a ; Xin Liu^a ; Tao Bo^b ; Gangfeng Ouyang^c ; ^{cesoygf@mail.sysu.edu.cn}
• 关键词：Clomiphene ; Metabolites ; Liquid chromatography&ndash ; quadrupole time-of-flight mass spectrometry
• 刊名：Journal of Chromatography A
• 出版年：2012
• 期刊代码：47_00219673
• 类别：ch
• 出版时间：22 June, 2012
• 卷：1243
• 期：Complete
• 页码：23-32
• 文件大小：558 K

摘要

Clomiphene, a selective estrogen receptor modulator, is prohibited by World Anti Doping Agency (WADA) out-of-competition and in-competition. As it is extensively metabolized, further investigation of clomiphene metabolic profile will be essential to routine anti-doping analysis. The metabolic pathway and the different metabolites of clomiphene in human urine collected from three healthy volunteers during 1 week were studied by liquid chromatography-quadrupole time-of-flight mass spectrometry (LC-QTOFMS) based on accurate mass measurement. Seven unreported metabolites were identified and characterized, and all of the newly found urinary metabolites belonged to a new metabolic pathway (hydrogenation). An approach for the metabolism study of clomiphene and its analogs by LC-QTOFMS was presented. Two metabolites, 3,4-dihydroxy-dihydro-clomiphene (m/z 440.1991) and 3,4-dihydroxy-dihydro-deethyl-clomiphne (m/z 412.1674), are the potential biomarkers for monitoring oral administration of clomiphene in doping control.