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

Modular, Scalable, and Customizable LC-HRMS for Exposomics

Vinicius Verri Hernandes  1   2 , Benedikt Warth  3   4
Affiliations

Modular, Scalable, and Customizable LC-HRMS for Exposomics

Vinicius Verri Hernandes et al. Methods Mol Biol. 2025.

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 (MS2).

Keywords: Analytical toxicology; Biomonitoring; Data-dependent analysis; Environmental and food contaminants; Exposome research; High-resolution mass spectrometry; Untargeted metabolomics and exposomics.

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