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

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Authors

PRICE Elliott James PALÁT Jiří COUFALÍKOVÁ Kateřina KUKUČKA Petr CODLING Garry Paul VITALE Chiara Maria KOUDELKA Štěpán KLÁNOVÁ Jana

Year of publication 2021
Type Article in Periodical
Magazine / Source Frontiers in Public Health
MU Faculty or unit

Faculty of Science

Citation
Web https://www.frontiersin.org/articles/10.3389/fpubh.2021.622558/full
Doi http://dx.doi.org/10.3389/fpubh.2021.622558
Keywords electron ionization [EI plus ]; spectral library; gas chromatography mass spectrometry; chemical exposure; high-resolution
Description 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.
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