Mass spectrometer (LC-MS)

该资助申请是一个高灵敏度质谱仪，包括一个高性能液相色谱系统和相关的软件，用于分析药物和内源性代谢物。除了已知药物、内源性代谢物和多肽的定量外，该系统还将支持结构上迄今未知分子的定性鉴定。临床药理学和临床毒理学主席的质谱分析设施正在开发和应用定量方法，用于各种各样的小内源性代谢物和不同基质的药物，无论是在自己的研究项目中还是在合作项目中。所要求的系统应该取代旧的质谱仪，该质谱仪已经停止服务，因此应该产生新的分析能力。重点在于具有高分析灵敏度的液相色谱质谱系统，以实现低检测和定量限制，这远远低于目前在质谱分析设施中可用的质谱仪。除了上述高灵敏度的定量外，新的质谱仪将扩大目前在非靶向代谢组学背景下的可能性。最大的挑战之一在于正确识别检测到的信号。所要求的质谱仪可以分析带有额外一层碎片的碎片模式，这是结构解析的重要辅助，因此可以帮助提高非靶向代谢组学分析的有效性。此外，计划使用市售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.