Frontiers in Public Health | |
Open, High-Resolution EI+ Spectral Library of Anthropogenic Compounds | |
Elliott J. Price1  Štěpán Koudelka2  Jana Klánová2  Jirí Palát2  Garry Codling2  Petr Kukučka2  Chiara Maria Vitale2  Katerina Coufaliková2  | |
[1] Faculty of Sports Studies, Masaryk University, Brno, Czechia;RECETOX Centre, Masaryk University, Brno, Czechia;RECETOX Centre, Masaryk University, Brno, Czechia; | |
关键词: electron ionization [EI+]; spectral library; gas chromatography mass spectrometry; chemical exposure; high-resolution; | |
DOI : 10.3389/fpubh.2021.622558 | |
来源: Frontiers | |
【 摘 要 】
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.
【 授权许可】
CC BY
【 预 览 】
Files | Size | Format | View |
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RO202107141740951ZK.pdf | 176KB | download |