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Development of the first metabolite-based LC-MSⁿ urine drug screening procedure

机译：研发首个基于代谢物的LC-MSⁿ尿液药物筛选程序

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摘要

In the presented dissertation, the development of the first metabolite-based LC-MS screening approach is described. It consisted of establishing a simple and fast sample workup, fast and sufficient LC separation, MS settings for recording reproducible spectra, and a suitable screening concept. Using these methods, MS2 and MS3 spectra of parent drugs were recorded as well as those of their metabolites after having identified them in urine samples of rats and humans. By using the described methods, the new reference library (over 1,000 parent drugs, 2,700 metabolites, 100 biomolecules), and a sophisticated software tool, a new routine screening approach was established. This LC-MS screening approach is nowerdays an important part of the systematic toxicological analysis and showed excellent robustness and screening results in thousands of authentic patient samples. According to this, this LC-MS approach complements the established GC-MS approach. In addition, recent research projects are partly based on the developed workup, separation and/or detection methods. Finally, this procedure and the reference library could successfully be transferred to another apparatus type, which raised the hope of an instrument independent LC-MS reference library.
机译：在本文中，描述了第一种基于代谢物的LC-MS筛选方法的发展。它包括建立简单，快速的样品处理，快速，充分的LC分离，用于记录可再现光谱的MS设置以及合适的筛选概念。使用这些方法，在大鼠和人类的尿液样品中鉴定出母体药物后，记录了母体药物的MS2和MS3谱图及其代谢产物的谱图。通过使用所述方法，新的参考库（1,000多种母体药物，2,700种代谢产物，100种生物分子）和完善的软件工具，建立了新的常规筛选方法。如今，这种LC-MS筛选方法已成为系统毒理学分析的重要组成部分，并且在成千上万的真实患者样本中显示出出色的鲁棒性和筛选结果。据此，这种LC-MS方法是对已建立的GC-MS方法的补充。另外，最近的研究项目部分基于开发的后处理，分离和/或检测方法。最终，该过程和参考库可以成功地转移到另一种设备类型，这引发了与仪器无关的LC-MS参考库的希望。

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  • 作者

    Wissenbach Dirk K.;

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  • 年度 2012
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  • 原文格式 PDF
  • 正文语种 ger
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