Open, High-Resolution EI plus 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 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: .

Automated summary

A retention-indexed HR-[EI+]-MS library for environmental chemicals has been constructed using GC-Orbitrap MS analysis of authentic compounds. The library, which is freely available, currently contains over 350 compounds from 56 compound classes, including legacy and emerging contaminants, providing a valuable resource for full-scan chemical exposure studies.