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首页> 外文期刊>Journal of mass spectrometry: JMS >New potential biomarkers for mesterolone misuse in human urine by liquid chromatography quadrupole time-of-flight mass spectrometry
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New potential biomarkers for mesterolone misuse in human urine by liquid chromatography quadrupole time-of-flight mass spectrometry

机译：液相色谱四极杆飞行时间质谱在人尿中滥用甲固龙的新潜在生物标志物

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摘要

In this paper, mesterolone metabolic profiles were investigated carefully. Mesterolone was administered to one healthy male volunteer. Urinary extracts were analyzed by liquid chromatography quadruple time-of-flight mass spectrometry (LC-QTOFMS) for the first time. Liquid-liquid extraction was applied to processing urine samples, and dilute-shoot analyses of intact metabolites were also presented. In LC-QTOFMS analysis, chromatographic peaks for potential metabolites were hunt down by using the theoretical [M-H](-) as target ions in full scan experiment, and their actual deprotonated ions were analyzed in targeted MS/MS mode. Ten metabolites including seven new sulfate and three glucuronide conjugates were found for mesterolone. Because of no useful fragment ion for structural elucidation, gas chromatography-mass spectrometry instrumentation was employed to obtain structural details of the trimethylsilylated phase I metabolite released after solvolysis. Thus, their potential structures were proposed particularly by a combined MS approach. All the metabolites were also evaluated in terms of how long they could be detected, and S1 (1-methyl-5-androst-3-one-17-sulfate) together with S2 (1-methyl-5-androst-17-one-3-sulfate) was detected up to 9days after oral administration, which could be the new potential biomarkers for mesterolone misuse. Copyright (c) 2015 John Wiley & Sons, Ltd.
机译：在本文中，仔细研究了美甾酮的代谢特征。美沙酮用于一名健康的男性志愿者。尿液提取物首次通过液相色谱四倍飞行时间质谱（LC-QTOFMS）进行分析。液-液萃取用于处理尿液样品，还提供了完整代谢产物的稀释拍摄分析。在LC-QTOFMS分析中，以理论[M-H]（-）作为目标离子在全扫描实验中寻找潜在代谢物的色谱峰，并在目标MS / MS模式下分析了它们的实际去质子离子。发现了10种代谢物，其中包括7种新的硫酸盐和3种葡糖醛酸结合物。由于没有用于结构解析的有用碎片离子，因此采用了气相色谱-质谱仪来获取溶剂分解后释放的三甲基甲硅烷基化的I相代谢物的结构细节。因此，特别是通过组合质谱方法提出了它们的潜在结构。还评估了所有代谢物的检测时间，并确定了S1（1-甲基-5-androst-3-one-17-硫酸盐）和S2（1-甲基-5-androst-17-one 1硫酸盐）口服后最多9天检测到-3-硫酸盐），这可能是滥用甲固龙的新潜在生物标志物。版权所有（c）2015 John Wiley＆Sons，Ltd.

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