LC/Q-TOF mass spectrometer

无机化合物和金属络合物的现代表征需要记录精确的高分辨率质谱。这些光谱不仅用于证明化合物的同一性，还用于阐明反应机理和途径。此外，它们能够实现精确的合成规划，并允许对潜在的无机治疗剂进行代谢研究。根据化学和药学系的质谱利用概念，常规质谱记录在该系的一个服务单元中。无机和分析化学研究所的服务部门专门从事无机化合物的表征，如金属络合物及其配体。广泛的样品类型对所需仪器提出了高标准要求：潜在的分析物范围从小的低分子化合物到与生物分子配体的配位复合物。因此，需要串联质谱法与上游色谱分离的可能性相结合，同时通过二极管阵列检测器（DAD）记录吸收光谱。特别是在生物无机样品的情况下，复杂样品混合物的色谱分离促进代谢研究或允许减少盐负荷。许多生物分子的UV/维斯活性进一步使得能够关联吸收光谱（由DAD记录）和相应质谱中的信号，从而允许得出关于复合物和生物分子的缔合的结论。为了检测完整的加合物，需要温和的非碎裂电离，因为与络合物和金属离子的相互作用可能很弱。因此，所要求的仪器应配备电喷雾离子化，并应能够任选地应用冷冻喷雾源，允许表征高度热不稳定的加合物。为了实现广泛的应用范围，仪器应提供APCI作为替代电离源，允许处理低极性分析物（APCI，大气压化学电离）。

Modern characterization of inorganic compounds and metal complexes requires the recording of accurate high-resolution mass spectra. These spectra are not only used to prove the identity of compounds, but also for the elucidation of reaction mechanisms and pathways. They furthermore enable a precise synthesis planning and allow metabolic studies of potential inorganic therapeutics. In accordance with the utilization concept for mass spectrometry of the faculty of Chemistry and Pharmacy, routine mass spectra are recorded in one of the service units of the faculty. The service unit in the Institute of Inorganic and Analytical Chemistry is specialized in the characterization of inorganic compounds such as metal complexes, and their ligands. The broad spectrum of sample types imposes high standards on the requested instrument: potential analytes range from small low-molecular compounds to coordination complexes with biomolecule-based ligands. Therefore, a combination of tandem mass spectrometry with the possibility of an upstream chromatographic separation with simultaneous recording of absorbance spectra by a diode-array detector (DAD) is required. Particularly in the context of bioinorganic samples, a chromatographic separation of complex sample mixtures facilitates metabolism studies or allows to reduce the salt load. The UV/vis activity of many biomolecules further enables a correlation of the signals in the absorbance spectra (recorded by the DAD) and the respective mass spectra, allowing to draw conclusions regarding the association of complex and biomolecule. For the detection of intact adducts, a mild non-fragmenting ionization is required, as interactions with complexes and metal ions can be weak. Hence, the requested instrument should be equipped with electrospray ionization and should be capable of optionally applying a cryospray source, allowing the characterization of highly thermo-labile adducts. To enable a wide scope of applications, the instrument should provide APCI as an alternative ionization source, allowing to deal with low-polarity analytes (APCI, atmospheric pressure chemical ionization).