当前位置: X-MOL 学术Chemosphere › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
The relevant role of ion mobility separation in LC-HRMS based screening strategies for contaminants of emerging concern in the aquatic environment
Chemosphere ( IF 8.8 ) Pub Date : 2021-05-05 , DOI: 10.1016/j.chemosphere.2021.130799
Alberto Celma 1 , Lutz Ahrens 2 , Pablo Gago-Ferrero 3 , Félix Hernández 1 , Francisco López 1 , Johan Lundqvist 4 , Elena Pitarch 1 , Juan Vicente Sancho 1 , Karin Wiberg 2 , Lubertus Bijlsma 1
Affiliation  

Ion mobility separation (IMS) coupled to high resolution mass spectrometry (IMS-HRMS) is a promising technique for (non-)target/suspect analysis of micropollutants in complex matrices. IMS separates ionized compounds based on their charge, shape and size facilitating the removal of co-eluting isomeric/isobaric species. Additionally, IMS data can be translated into collision cross-section (CCS) values, which can be used to increase the identification reliability. However, IMS-HRMS for the screening of contaminants of emerging concern (CECs) have been scarcely explored. In this study, the role of IMS-HRMS for the identification of CECs in complex matrices is highlighted, with emphasis on when and with which purpose is of use. The utilization of IMS can result in much cleaner mass spectra, which considerably facilitates data interpretation and the obtaining of reliable identifications. Furthermore, the robustness of IMS measurements across matrices permits the use of CCS as an additional relevant parameter during the identification step even when reference standards are not available. Moreover, an effect on the number of true and false identifications could be demonstrated by including IMS restrictions within the identification workflow. Data shown in this work is of special interest for environmental researchers dealing with the detection of CECs with state-of-the-art IMS-HRMS instruments.



中文翻译:

离子迁移分离在基于LC-HRMS的水生环境中新出现的污染物筛查策略中的相关作用

离子淌度分离(IMS)与高分辨率质谱(IMS-HRMS)耦合是一种用于复杂基质中微污染物的(非目标)/可疑分析的有前途的技术。IMS根据其电荷,形状和大小分离离子化化合物,从而有助于去除共洗脱的同分异构/等压物质。此外,IMS数据可以转换为碰撞横截面(CCS)值,可以用来提高识别的可靠性。但是,几乎没有探索过IMS-HRMS筛选新兴关注污染物(CEC)的方法。在这项研究中,重点介绍了IMS-HRMS在复杂矩阵中CEC识别中的作用,并着重介绍了何时以及以何种目的使用。IMS的使用可以产生更干净的质谱图,这极大地方便了数据解释和获得可靠的标识。此外,即使没有参考标准,跨矩阵的IMS测量的鲁棒性也允许在识别步骤中将CCS用作附加的相关参数。此外,可以通过将IMS限制包括在标识工作流中来证明对真假标识数量的影响。这项工作中显示的数据对于使用最新的IMS-HRMS仪器检测CEC的环境研究人员特别有用。此外,可以通过将IMS限制包括在标识工作流中来证明对真假标识数量的影响。这项工作中显示的数据对于使用最新的IMS-HRMS仪器检测CEC的环境研究人员特别有用。此外,可以通过将IMS限制包括在标识工作流中来证明对真假标识数量的影响。这项工作中显示的数据对于使用最新的IMS-HRMS仪器检测CEC的环境研究人员特别有用。

更新日期:2021-05-11
down
wechat
bug