Use of liquid chromatography/time-of-flight mass spectrometry and multivariate statistical analysis shows promise for the detection of drug metabolites in biological fluids
Use of liquid chromatography/time-of-flight mass spectrometry and multivariate statistical analysis shows promise for the detection of drug metabolites in biological fluids
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DOI：
10.1002/rcm.1250
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发表时间：
2003-01-01
影响因子：
2
通讯作者：
Dear, GJ
中科院分区：
文献类型：
--
作者：
Plumb, RS;Stumpf, CL;Dear, GJ
代谢物鉴定过程对药物发现和开发过程至关重要;这通常通过液相色谱/串联质谱法（LC/MS/MS）或液相色谱/质谱法（LC/MS）和核磁共振（NMR）光谱法的组合来实现。然而，代谢物鉴定是一个耗时的过程，需要经验丰富的熟练科学家。多变量统计分析已被用于代谢组学领域，以阐明由于毒性作用或疾病状态而导致的内源性生物特征分析的差异。在本文中，我们展示了如何结合液相色谱/飞行时间质谱（LC/TOFMS）和多元统计分析，可用于检测药物代谢物在生物流体中没有事先知道的化合物管理。版权所有（C）2003约翰威利父子有限公司。
The process of metabolite identification is essential to the drug discovery and development process; this is usually achieved by liquid chromatography/tandem mass spectrometry (LC/MS/MS) or a combination of liquid chromatography/mass spectrometry (LC/MS) and nuclear magnetic resonance (NMR) spectroscopy. Metabolite identification is, however, a time-consuming process requiring an experienced skilled scientist. Multivariate statistical analysis has been used in the field of metabonomics to elucidate differences in endogenous biological profiling due to a toxic effect or a disease state. In this paper we show how a combination of liquid chromatography/time-of-flight mass spectrometry (LC/TOFMS) and multivariate statistical analysis can be used to detect drug metabolites in a biological fluid with no prior knowledge of the compound administered. Copyright (C) 2003 John Wiley Sons, Ltd.