AUTHOR=Price Elliott J. , Palát Jirí , Coufaliková Katerina , Kukučka Petr , Codling Garry , Vitale Chiara Maria , Koudelka Štěpán , Klánová Jana 

TITLE=Open, High-Resolution EI+ Spectral Library of Anthropogenic Compounds

JOURNAL=Frontiers in Public Health

VOLUME=9

YEAR=2021

URL=https://www.frontiersin.org/journals/public-health/articles/10.3389/fpubh.2021.622558

DOI=10.3389/fpubh.2021.622558

ISSN=2296-2565

ABSTRACT=<p>To address the lack of high-resolution electron ionisation mass spectral libraries (HR-[EI+]-MS) for environmental chemicals, a retention-indexed HR-[EI+]-MS library has been constructed following analysis of authentic compounds via GC-Orbitrap MS. The library is freely provided alongside a compound database of predicted physicochemical properties. Currently, the library contains over 350 compounds from 56 compound classes and includes a range of legacy and emerging contaminants. The RECETOX Exposome HR-[EI+]-MS library expands the number of freely available resources for use in full-scan chemical exposure studies and is available at: <ext-link ext-link-type="uri" xlink:href="https://doi.org/10.5281/zenodo.4471217" xmlns:xlink="http://www.w3.org/1999/xlink">https://doi.org/10.5281/zenodo.4471217</ext-link>.</p>