Researchers at Wageningen University and Research (WUR) have developed an open-access, high-resolution tandem mass spectra library of more than 1,000 chemicals relevant to food safety. The Food Safety Mass Spectral Library is available for download from WUR.
The library is a collection of 1,007 chemicals including veterinary drugs, contaminants, pesticides, and natural toxins (including metabolites). It enables exact matches of compounds through high-quality spectral matching or combined with retention time, ensuring accurate compound identification.
The library can be used to improve detection capabilities for specific contaminants by implementation in targeted testing and screening workflows, and it can also help identify unknown or analogous compounds in non-targeted screening when integrated with machine learning tools for the detection of novel contaminants.
