High-resolution mass spectrometer with gas chromatography

高分辨质谱学是目前有机痕量分析中最强大、最灵活的技术，有着广泛的应用前景。这既适用于高选择性、极低浓度的已知目标分析物的定量测定(目标分析)，特别是在非目标分析的情况下，特别是在使用质谱学来获得尽可能多的有关样品的信息的情况下，例如在难以获取的个别样品的情况下，但仍要提取最多的化学信息。然而，高分辨质谱学不仅有助于痕量分析，而且在面向有机制剂的工作组以结构解析或结构检测为目标时也是如此。在许多情况下，质谱学的高分辨率能够明确地阐明元素组成，并通过对质谱学的解释为化学结构的阐明提供信息。对于GC和MS的组合也是如此，正如这里将获得的，目标是在检测非常低的浓度的同时，以非常高的质量分辨率和质量精度进行全扫描采集。与LC-MS相比，GC-MS捕获了不同范围的挥发性和极性，往往是更可靠的技术，具有可重现性的保留时间，普遍适用的保留指数，当使用电子电离时，依赖于化合物的电离效率要低得多。但较软的电离技术，如化学电离，也有助于识别未知化合物。目前的设备采购对于检测和鉴定较小的有机化合物尤其必要，因为现有的高分辨率质谱学系统与LC联用，或者只能在非常有限的范围内获得。因此，所要求的仪器对主要申请者的工作组是不可或缺的，对化学系的其他指定工作组也是如此。

High-resolution mass spectrometry is currently the most powerful and flexible technique in organic trace analysis, which is used for a wide variety of applications. This applies both to the quantitative determination of known target analytes at very low concentrations with high selectivity (target analysis), and especially when, as in the case of non-target analysis, mass spectrometry is to be used to obtain as much information as possible about the sample, for example in the case of individual samples that are difficult to access, but where a maximum of chemical information is nevertheless to be extracted. However, high-resolution mass spectrometry is not only helpful for trace analysis, but also when organic-preparation-oriented working groups aim at structure elucidation or structure detection. In many cases, the mass spectrometric high resolution enables an unambiguous elucidation of the elemental composition and also provides information for chemical structure elucidation via the interpretation of the mass spectrum. This is also true for the combination of GC and MS, as will be acquired here, with the goal of working with full-scan acquisition with very high mass resolution and mass accuracy while detecting very low concentrations. Compared to LC-MS, GC-MS captures a different range of volatility and polarity, tends to be the more robust technique, with reproducible retention times, universally applicable retention indices, and when using electron ionization, much lower compound-dependent ionization efficiencies. But softer ionization techniques, such as chemical ionization, also help in the identification of unknown compounds. The present equipment procurement is especially needed for the detection and identification of smaller organic compounds, since the existing high-resolution mass spectrometric systems are coupled with LC or are only available to a very limited extent. For this reason, the requested instrument is indispensable for the working group of the main applicant, but also for the other named working groups of the Department of Chemistry.