Mass Spectrometry
High-resolution analytical instruments combine quadrupole mass filtering with time-of-flight mass separation to identify unknown chemical migrants. Analytical workflows using QTOF MS deliver accurate mass determinations and fragmentation patterns necessary for chemical structure elucidation in complex packaging extractables. The instrument measures ion mass-to-charge ratios with sub-ppm accuracy, enabling formula assignment for non-intentionally added substances.
Testing applies to food-contact paperboard and multi-layer packaging films.
Non-Targeted Screening
Coupling liquid chromatography or gas chromatography to a QTOF MS system permits simultaneous screening of hundreds of volatile and non-volatile chemical species. The quadrupole selects specific precursor ions, which undergo collision-induced dissociation before entering the flight tube for high-resolution mass analysis. High mass accuracy allows software algorithms to generate molecular formulas for unknown degradation products and printing ink migrants without reference standards.
Analysts compare experimental accurate mass spectra against comprehensive spectral databases to identify non-target contaminants in paperboard extracts. Isotopic pattern matching confirms molecular formulas by evaluating natural carbon and nitrogen isotope abundances. Instrument calibration using internal reference compounds maintains mass accuracy across long analytical sequences.
The system isolates trace impurities present at microgram per kilogram concentrations in complex paperboard matrices.
Identification Threshold
Chemical characterization of food contact materials relies on high-resolution mass spectrometry to ensure regulatory safety compliance. Data generated by QTOF MS supports risk assessment frameworks like the Threshold of Toxicological Concern for unidentified structural entities. Resolving complex chemical mixtures protects consumer safety by identifying potential migrants prior to commercial packaging approval.
Structural confirmation validates chemical identity across complex recycling and converting processes.