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

Autor: Elliott J. Price, Jirí Palát, Katerina Coufaliková, Petr Kukučka, Garry Codling, Chiara Maria Vitale, Štěpán Koudelka, Jana Klánová
Jazyk: angličtina
Rok vydání: 2021
Předmět:
Zdroj: Frontiers in Public Health, Vol 9 (2021)
Druh dokumentu: article
ISSN: 2296-2565
DOI: 10.3389/fpubh.2021.622558
Popis: 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: https://doi.org/10.5281/zenodo.4471217.
Databáze: Directory of Open Access Journals