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

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

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...

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Bibliographic Details
Main Authors: Elliott J. Price, Jirí Palát, Katerina Coufaliková, Petr Kukučka, Garry Codling, Chiara Maria Vitale, Štěpán Koudelka, Jana Klánová
Format: Article
Language:English
Published: Frontiers Media S.A. 2021-03-01
Series:Frontiers in Public Health
Subjects:
electron ionization [EI+]
spectral library
gas chromatography mass spectrometry
chemical exposure
high-resolution
Online Access:https://www.frontiersin.org/articles/10.3389/fpubh.2021.622558/full
Description
Summary: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.
ISSN:2296-2565

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