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用于暴露组学的模块化、可扩展和可定制的 LC-HRMS。

Modular, Scalable, and Customizable LC-HRMS for Exposomics.

机构信息

Department of Food Chemistry and Toxicology, Faculty of Chemistry, University of Vienna, Vienna, Austria.

Exposome Austria, Research Infrastructure and National EIRENE Node, Vienna, Austria.

出版信息

Methods Mol Biol. 2025;2855:41-66. doi: 10.1007/978-1-0716-4116-3_3.

Abstract

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).

摘要

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。

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