Time of Flight Mass Spectrometer (UHPLC-qToF-MS)

应用的仪器是具有上游四极杆和碰撞池的飞行时间质谱仪（qToF / UHR-TOF）。进气系统可在电喷雾（ESI）离子化和大气压化学离子化（APCI）离子化之间进行选择，用于更极性的组分。分离系统应为高压HPLC系统（UHPLC），也可用作在线SPE模块。在TU Kaiserlestern，多年来使用串联质谱法（（U）HPLC-ESI/APCI-MS/MS）进行了许多项目。Richling工作组负责食品成分的鉴定和定量（重点是多酚和热诱导污染物）。除了在食品中出现上述化合物类别外，还在体外、离体和人体中研究了它们的代谢和生物学效应。在以前的研究项目的框架内，分析通常需要对假定的化合物进行复杂的评价，例如DNA加合物，如果没有商业上的参考，也需要合成参考（目标方法）。应用飞行时间质谱仪对生物样品进行非靶向检测。这允许额外鉴定先前未知的化合物和食物摄入与生物标志物（例如暴露于污染物（例如呋喃或丙烯酰胺）的生物标志物）的发生的相关性，或生物活性化合物的摄入与其在体内的作用的相关性。从长远来看，所申请的设备应该能够灵敏地检测毒理学相关化合物的DNA或蛋白质加合物，或者通过分析尿样来关联消费习惯。来自食品化学和毒理学系（Fahrer组）、生物学系（Erkel和Frankenberg-Dinkel组）以及机械和工艺工程系（Ulber组）的共同申请人希望在其研究优先级范围内使用该设备，因为在TU Kaiserlestern校园内没有用于分析天然物质及其代谢物的qToF设备。

The instrument applied for is a time-of-flight mass spectrometer with upstream quadrupole and collision cell (qToF / UHR-TOF). The inlet systems are selectable between electrospray (ESI) ionization and atmospheric pressure chemical ionization (APCI) ionization for more polar components. The separation system shall be a high pressure HPLC system (UHPLC), which can also be used as an online SPE module. At the TU Kaiserslautern numerous projects have been carried out for years using tandem mass spectrometry ((U)HPLC-ESI/APCI-MS/MS). The working group Richling deals with the identification and quantification of food ingredients (focus on polyphenols and heat induced contaminants). Besides the occurrence of the above mentioned compound classes in food, their metabolism and biological effects are investigated in vitro, ex vivo and in humans. Within the framework of previous research projects, the analysis often required complex evaluation of the postulated compounds, e.g. of DNA adducts, also by means of the synthesis of a reference, if this was not commercially available (targeted approach). With the time-of-flight mass spectrometer applied for, biological samples were to be examined in the so-called non-targeted approach. This allows the additional identification of previously unknown compounds and the correlations of food intake with the occurrence of biomarkers such as biomarkers of exposure to contaminants such as furan or acrylamide or the correlation of the intake of biologically active compounds and their effects in the body. In the long term, the device applied for should make it possible to sensitively detect DNA or protein adducts of toxicologically relevant compounds or to correlate consumption habits via the analysis of urine samples. The co-applicants from the Departments of Food Chemistry and Toxicology (Fahrer group), Biology (Erkel and Frankenberg-Dinkel groups) and Mechanical and Process Engineering (Ulber group) would like to use the device within the scope of their research priorities, since no qToF device for the analysis of naturally occuring substances and their metabolites is available on the campus of the TU Kaiserslautern.