Large scale enzyme based xenobiotic identification for exposomics View Full Text


Ontology type: schema:ScholarlyArticle      Open Access: True


Article Info

DATE

2021-09-14

AUTHORS

Ken H. Liu, Choon M. Lee, Grant Singer, Preeti Bais, Francisco Castellanos, Michael H. Woodworth, Thomas R. Ziegler, Colleen S. Kraft, Gary W. Miller, Shuzhao Li, Young-Mi Go, Edward T. Morgan, Dean P. Jones

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. More... »

PAGES

5418

Identifiers

URI

http://scigraph.springernature.com/pub.10.1038/s41467-021-25698-x

DOI

http://dx.doi.org/10.1038/s41467-021-25698-x

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1141108295

PUBMED

https://www.ncbi.nlm.nih.gov/pubmed/34521839


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