Food Safety Mass Spectral Library
About this product
In short- Collection of > 1,000 chemicals
- High-quality data
- Targeted and non-target screening
On this webpage it is possible to download a high-resolution tandem mass spectra library (ddHRMS2) entirely built at Wageningen Food Safety Research (WFSR) through the analysis of high-quality standards. The Food Safety Spectral Library provides high-quality, manually curated data for a significant number of compounds.
By sharing this library we comply with FAIR data principles and try to complement other initiatives in this field with the ultimate goal of keeping our food safe.
Collection of > 1,000 chemicals
This library is a collection of 1,007 chemicals among which veterinary drugs, contaminants, pesticides and natural toxins (including metabolites). It was built acquiring standards in solvent using ultra high-pressure liquid chromatography (UHPLC) coupled to an Orbitrap IQ-X Tribrid, with positive ESI as the ionization interface. Each compound was acquired using 7 different collision energies generating more than 7,000 mass spectra in total. The spectral library can be used for:
Expanding compounds annotations
Enables exact matches of compounds through high-quality spectral matching (level 2) or combined with retention time (RT) information (level 1), ensuring accurate compound identification.
Targeted and Suspect Screening
Easily implemented in your targeted and suspect screening workflows, improving detection capabilities for specific contaminants.
Non-Target Screening
Assists in identifying unknown or analogous compounds in non-target screening, by integrating it with machine learning tools to detect novel contaminants.
Additional compounds
Note: Although the library contains a relevant number of food safety related substances, it is not covering all the compounds we currently measure at WFSR. If you are interested in ddHRMS2 spectra of compounds not included in the current version, please feel free to contact us.
Do you want to download the Food Safety Spectral Library?
Do you have any questions about the Food Safety Spectral Library or want to download it? Get in touch with our expert.
dr. I (Ivan) Aloisi
Researcher
This work was supported by the Dutch Ministry of Agriculture, Fisheries, Food Security and Nature through the Knowledge development program ‘Healthy and safe food systems’ (project KB-37-002-036).