中文摘要：最新的离子迁移谱(IMS)结合高分辨质谱（HRMS）分析成为了一项靶向性和非靶向性筛选的强大技术，减少背景噪声并允许分离异构体和等压化合物。然而，这种方法在食品安全应用，如霉菌毒素分析中仍然没有得到充分的探索。为了在常规的基于MS的霉菌毒素工作流程中实现离子迁移，必需具有可搜索的碰撞截面（CCS）值和精确质量值数据库。本文首次提供一种行波IMS(TWIMS)-衍生CCS数据库，用于霉菌毒素分析，包含了100多个CCS值。通过研究，证实了CCS值代表一种理化性质，它可以与前驱体离子精确质量、碎片离子、同位素模式和保留时间的传统分子标识符一起使用。
外文摘要：The recent hyphenation of ion mobility spectrometry (IMS) with high resolution mass spectrometry (HRMS) has risen as a powerful technique for both targeted and non-targeted screening, reducing background noise and allowing separation of isomeric and isobaric compounds. Nevertheless, such an approach remains largely unexplored in food safety applications, such as mycotoxin analysis. To implement ion mobility in routinely MS-based mycotoxin workflows, searchable databases with collusion cross section (CCS) values and accurate mass-values are required. This paper provides for the first time a traveling-wave IMS (TWIMS)-derived CCS database for mycotoxins, including more than 100 CCS values. The measurements showed high reproducibility (RSD < 2%) across different instrumental conditions as well as several complex cereal matrices, showing a mean inter-matrix precision of RSD <0.9%. As a proof of concept, the database was applied to the analysis of several spiked as well as naturally incurred cereal-based samples. In addition, the effect of adducts on the drift time was studied in a series of mycotoxins in order to understand potential deviations from expected drift time behaviors. Overall, our study confirmed that CCS values represent a physicochemical property that can be used alongside the traditional molecular identifiers of precursor ion accurate mass, fragment ions, isotopic pattern, and retention time.
外文关键词：Ion mobility mass spectrometry；Collision cross section；Mycotoxins；CCS database；Matrix effect
作者：Righetti, L；Bergmann, A；Galaverna, G；Rolfsson, O；Paglia, G；Dall'Asta, C
作者单位：Univ Parma
期刊名称：ANALYTICA CHIMICA ACTA
期刊影响因子：4.712
出版年份：2018
出版刊次：7
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