Picó Yolanda, Barceló Damià
Food and Environmental Safety Research Group (SAMA-UV), CIDE (UV, GV, CSIC), Faculty of Pharmacy, University of Valencia, Av, Vicent Andrés s/n, 46100, Burjassot, Valencia, Spain,
Anal Bioanal Chem. 2015 Aug;407(21):6257-73. doi: 10.1007/s00216-015-8739-6. Epub 2015 May 20.
It is crucial to study the presence of transformation products (TPs) of emerging contaminants that can be potentially found in the environment after biological or chemical degradation. This review focuses on the potential and shortcomings of high-resolution mass spectrometry (HRMS) to identify these TPs, with emphasis on recent developments in mass analyzers, data evaluation, and compound identification workflows and applications. Advances in HRMS technologies, including direct introduction or in-line chromatographic separation modes, ionization techniques, mass analyzers, and detection methods, have led to powerful tools to assess the molecular changes and the opening of new horizons to identify unknown molecules. Advances in HRMS pertaining to the generation of analytical data for the main methods to identify TPs, including nontargeted and targeted approaches as they are applied to elucidate the structure of TPs, are also discussed.
研究新兴污染物的转化产物(TPs)至关重要,这些转化产物可能在生物或化学降解后出现在环境中。本综述重点关注高分辨率质谱(HRMS)在识别这些TPs方面的潜力和不足,着重介绍了质量分析器、数据评估以及化合物鉴定工作流程和应用的最新进展。HRMS技术的进步,包括直接进样或在线色谱分离模式、电离技术、质量分析器和检测方法,已产生了强大的工具来评估分子变化,并为识别未知分子开辟了新视野。还讨论了HRMS在生成用于识别TPs的主要方法(包括非靶向和靶向方法,这些方法用于阐明TPs的结构)的分析数据方面的进展。