Mass spectrometer (LC-MS)

这项赠款申请是为了一种高灵敏度的质谱仪，包括一个高性能的液相色谱系统和相关的软件，用于药物和内源性代谢物的分析。除了已知药物、内源性代谢物和多肽的定量外，该系统还将支持对结构上迄今未知的分子的定性鉴定。临床药理学和临床毒理学主任的质谱学设施正在自己的研究项目和合作中开发和应用各种不同基质中的小内源性代谢物和药物的定量方法。所要求的系统应该取代已经停止使用的旧质谱仪，因此应该产生新的分析能力。重点放在具有高分析灵敏度的液相色谱质谱计系统上，以实现较低的检测和定量限，远低于目前质谱学设施中提供的质谱计。除了前面提到的高灵敏度定量，新的质谱仪将在非靶向代谢组学的背景下扩大目前的可能性。最大的挑战之一在于正确识别检测到的信号。所要求的质谱计可以利用额外的碎裂层来分析碎裂模式，这构成了结构阐明的重要辅助，因此可以帮助提高非靶向代谢组学分析的有效性。此外，计划使用市场上可获得的靶向代谢组学试剂盒和所要求的系统来补充非靶向代谢组学分析。

This grant application is for a highly sensitive mass spectrometer including a high-performance liquid chromatography system and associated software for the analytics of drugs and endogenous metabolites. Besides the quantification of known drugs, endogenous metabolites and peptides, this system will also support the qualitative identification of structurally so far unknown molecules. The mass spectrometry facility at the Chair of Clinical Pharmacology and Clinical Toxicology is developing and applying quantitative methods for a wide variety of small endogenous metabolites and drugs in different matrices in own research projects as well as in co-operations. The requested system is supposed to replace an old mass spectrometer, that went out of service, and therefore new analytical capacities should be generated. The focus lies on a liquid chromatography mass spectrometer system with high analytical sensitivity in order to achieve low limits of detection and quantification, which are well below those of mass spectrometers currently available at the mass spectrometry facility. Besides the afore mentioned highly sensitive quantification, the new mass spectrometer will expand the present possibilities in the context of untargeted metabolomics. One of the biggest challenges lies in the correct identification of detected signals. The requested mass spectrometer can analyze fragmentation patterns with an additional layer of fragmentation, which constitutes as an important aid for structure elucidation, and hence can help to increase the validity of untargeted metabolomics analyses. Furthermore, it is planned to use commercially available kits for targeted metabolomics with the requested system to complement untargeted metabolomics analyses.