Document Type

Article

Publication Date

9-14-2021

Publication Title

Nat Commun

Keywords

JGM

JAX Source

Nat Commun 2021 Sep 14; 12(1):5418

Volume

12

Issue

1

First Page

5418

Last Page

5418

ISSN

2041-1723

PMID

34521839

DOI

https://doi.org/10.1038/s41467-021-25698-x

Abstract

Advances in genomics have revealed many of the genetic underpinnings of human disease, but exposomics methods are currently inadequate to obtain a similar level of understanding of environmental contributions to human disease. Exposomics methods are limited by low abundance of xenobiotic metabolites and lack of authentic standards, which precludes identification using solely mass spectrometry-based criteria. Here, we develop and validate a method for enzymatic generation of xenobiotic metabolites for use with high-resolution mass spectrometry (HRMS) for chemical identification. Generated xenobiotic metabolites were used to confirm identities of respective metabolites in mice and human samples based upon accurate mass, retention time and co-occurrence with related xenobiotic metabolites. The results establish a generally applicable enzyme-based identification (EBI) for mass spectrometry identification of xenobiotic metabolites and could complement existing criteria for chemical identification.

Comments

This article is licensed under a Creative Commons Attribution 4.0 International License.

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