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Current analytical tools for wide-scope screening of organic pollutants in environmental samples

机译:用于宽范围筛选环境样品中有机污染物的当前分析工具

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The instrumental improvements and advances of high resolution mass spectrometry (HRAAS) has revolutionized modern analytical chemistry and notably increased applications to environmental chemistry and exposure fields. In this work, we illustrate that recent coupling of gas and liquid chromatography to HRMS, using analyzers such as QTOF and Orbitrap. These hyphenated techniques have made the screening of large number of organic pollutants in the environment possible. Using both chromatographic techniques coupled to HRMS many different organic pollutants can be detected and identified with high reliability, from volatileon polar compounds to non-volatile/highly polar ones. Different approaches can be applied, from non-target screening (discovery of unknowns) to target screening (with our without reference standards). After identification of the pollutants present in the samples, analytical efforts can then be directed towards the most relevant compounds by applying target quantitative methods, commonly based on tandem MS using triple quadrupole analyzers. Advantageously and thanks to the accurate-mass full-spectrum acquisition, HRMS allows retrospective analysis i.e. searching for additional compounds not considered in the initial analysis without the need of new injections. Searching for metabolites and transformation products that share common fragments with the parent molecule is another interesting possibility that may allow discovering many compounds that otherwise would remain ignored in the analyses.
机译:高分辨率质谱仪(HRAAS)的仪器改进和进步彻底改变了现代分析化学,并显着增加了在环境化学和暴露领域的应用。在这项工作中,我们说明了使用诸如QTOF和Orbitrap之类的分析仪将气相色谱和液相色谱与HRMS耦合的最新方法。这些联用技术使在环境中筛查大量有机污染物成为可能。使用与HRMS结合的两种色谱技术,可以检测和鉴定许多不同的有机污染物,从挥发性/非极性化合物到非挥发性/高极性化合物。从非目标筛选(发现未知物)到目标筛选(使用我们的无参考标准),可以采用不同的方法。鉴定出样品中存在的污染物后,可以通过应用目标定量方法(通常基于串联质谱,使用三重四极杆分析仪),针对最相关的化合物进行分析。有利的是,由于精确质量的全光谱采集,HRMS允许进行回顾性分析,即无需新进样即可搜索初始分析中未考虑的其他化合物。寻找与母体分子共有共同片段的代谢物和转化产物是另一种有趣的可能性,它可以允许发现许多化合物,否则这些化合物在分析中仍将被忽略。

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