Non-targeted analysis with liquid chromatography - high resolution mass spectrometry for the identification of food packaging migrants.

Potential contamination of food with chemicals migrating from food packaging is an important, yet under-investigated area of food safety. In this study, we examined chemicals migrating from common paper-based food packaging: pizza boxes and pizza box liners, butcher paper and liquid egg containers. Migration tests were conducted with a food simulant for 10 days, and migrated chemicals were identified with liquid chromatography (LC) - high resolution mass spectrometry (HRMS) with mass error < 3 ppm. HRMS identification was based on spectra and/or structure matching against commercial databases (MzCloud, ChemSpider, and Extractable and Leachable high resolution accurate mass (HRAM) database). Following HRMS identification, orthogonal LC retention information was utilized to further refine the data and reduce false positive findings. A model for calculating retention times (t) based on octanol-water partition coefficient (log K) values was evaluated and applied for HRMS data refining. Using this approach, 153 migrated chemicals were identified, of which five were further confirmed with reference analytical standards. Additionally, amounts of bisphenol A and bisphenol S, the chemicals of toxicological concerns, were measured at the levels below the established regulatory limits for migration, indicating no/low risk to consumer's health. This study demonstrated the utility of LC-HRMS for confident identification of food packaging migrants.