Xenometabolomics in Ecotoxicology: Concepts and Applications

Nontargeted high-resolution mass spectrometry (HRMS) allows for the characterization of a large fraction of the exposome, i.e., the entirety of chemicals an organism is exposed to, and helps detect important exogenous chemical compounds that could be key drivers of toxicological impact. Along with these chemical compounds occur endogenous metabolites that are essential for the health of the host organism. Chemical compounds derived from the biotransformation of xenobiotics present in the exposome are referred to as the xenometabolome, while endogenous metabolites derived from the host organism are referred to as the endometabolome. Recent advancements in HRMS technology allow for the detection of chemical features of biological and ecological importance in the context of chemical safety assessments with unprecedented sensitivity and resolution. In this perspective, we highlight the application of HRMS-based metabolomics of organisms in the context of ecotoxicology, the complexity of comprehensively characterizing the endometabolome, and distinguishing chemical compounds of the xenometabolome.