Department of Food Chemistry and Toxicology, Faculty of Chemistry, University of Vienna, Vienna, Austria.
Exposome Austria, Research Infrastructure and National EIRENE Node, Vienna, Austria.
Methods Mol Biol. 2025;2855:41-66. doi: 10.1007/978-1-0716-4116-3_3.
In this chapter, we describe a multi-purpose, reversed-phase liquid chromatography-high-resolution mass spectrometry (LC-HRMS) workflow for acquiring high-quality, non-targeted exposomics data utilizing data-dependent acquisition (DDA) combined with the use of toxicant inclusion lists for semi-targeted analysis. In addition, we describe expected retention times for >160 highly diverse xenobiotics in human plasma and serum samples. The method described is intended to serve as a generic LC-HRMS exposomics workflow for research and educational purposes. Moreover, it may be employed as a primer, allowing for further adaptations according to specialized research needs, e.g., by including reference and/or internal standards, by expanding to data-independent acquisition (DIA), or by modifying the list of compounds prioritized in fragmentation experiments (MS).
在本章中，我们描述了一种多功能的反相液相色谱-高分辨率质谱（LC-HRMS）工作流程，用于利用数据依赖采集（DDA）结合使用毒物包含列表进行半靶向分析，获取高质量的非靶向暴露组学数据。此外，我们还描述了 >160 种高度多样化的人类血浆和血清样本中异生物质的预期保留时间。所描述的方法旨在作为一种通用的 LC-HRMS 暴露组学工作流程，用于研究和教育目的。此外，它可以作为入门指南，根据专门的研究需求进一步进行调整，例如，通过包含参考和/或内部标准，扩展到数据非依赖采集（DIA），或通过修改碎片实验（MS）中优先考虑的化合物列表。
