High resolution tandem mass spectrometer coupled to ultrahigh performance liquid chromatography

我们的目标是获得一个由超高性能液相色谱仪和高分辨率串联质谱仪组成的分析系统。色谱系统应包括一个二元高压溶剂泵、温控柱室、一个带有可冷却样品室的自动进样系统以及一个二极管阵列检测器。对于高分辨率的质谱学系统，具有高的质量准确度和灵敏度，可准确测定低丰度和未知化合物的分子质量。此外，该系统必须包括串联质谱学的选项，同时采集离子迁移率光谱数据将是有益的。一个重要的方面也是一个强大的软件解决方案，用于数据处理和结果数据的解释。新系统的主要应用在于对复杂生物和食品样品中的脂类和其他小分子进行非靶向分析。其中一个重点是评估食品制备和加工过程中脂体的变化，以及由此产生的氧化脂质的测定。除其他应用外，该系统将被用来创建一个系统的数据库，用于分析脂肪氧化产物，并提高对食品中形成的化合物以及制备条件如何影响形成的理解。其他项目涉及生物活性食品成分及其代谢物的特征、糖降解产物的结构说明以及评估大脑中的脂质系统在精神疾病方面的作用。

We aim to acquire an analytical system consisting of a ultra high performance liquid chromatograph and a high resolution tandem mass spectrometer. The chromatographic system should include a binary high pressure solvent pump, temperature-controlled column compartment, an automatic injection system with coolable sample compartment as well as a diode array detector. For the high resolution mass spectrometry system high mass accuracy and sensitivity for the determination of accurate molecular masses of low abundant and unknown compounds. Furthermore, the system must include the option for tandem mass spectrometry and the parallel acquisition of ion mobility spectrometry data would be beneficial. An important aspect is also a powerful software solution for data processing and interpretation of the resulting data.The principal applications for the new system lie in the untargeted analysis of lipids and other small molecules in complex biological and food samples. One focus is on the assessment of lipidome changes during the preparation and processing of food and the determination of the resulting oxidized lipids. The system will, among other applications, be used to create a systematic database with of lipid oxidation products and to improve the understanding which compounds are formed in food and how the preparation conditions influence the formation. Further projects deal with the characterization of bioactive food constituents and their metabolites, the structural elucidation of sugar degradation products as well as to assess the role of lipid systems in the brain in connection with mental illnesses.