Development and validation of a fast gas chromatography mass spectrometry method for the quantification of selected non-intentionally added substances and polystyrene/polyurethane oligomers in liquid food simulants

A simple, fast, sensitive and reliable method was developed for the simultaneous determination of 13 food contact materials (FCM) regulated substances and non-intentionally added substances (NIAS) migrating into official food simulants. The method has been optimized to quantify the monomers styrene and alpha-methyl styrene, selected polystyrene oligomers (dimers, trimers) and polyester urethane-based oligomers (PU) cyclic oligomers, as well as cyclic NIAS originating from food packaging such as 2,6-Ditert-butylbenzoquino ne and 7,9-Di-tert-butyl-1-oxaspiro(4,5)deca-6,9-d iene-2,8 -dione. The method employs liquid-liquid extraction of aqueous ethanol food simulants with dichloromethane, and analysis with gas chromatography coupled to mass spectrometry (GC-MS) with a total analysis time of less than 16 min, with limits of detections ranging from 0.32 ng mL(-1) (1,1-diphenylethylene) to 14.8 ng mL(-1) for 7,9-di-tert-butyl-1-oxaspiro [4.5]deca-6,9-diene-2,8-dione and respective limits of quantification from 1.0 ng mL(-1) to 41.7 ng mL(-1), for the same analytes. Accuracy and precision results showed that the method is sufficiently accurate for all target analytes, with recoveries ranging between 80 and 110% and relative standard deviations (RSDs) smaller than 16% at the three selected concentration levels. The method has been successfully applied to seven FCM. Results indicated that significant amounts of polystyrene monomers, dimers and trimers are migrating into food simulants; this is also the case for polyester urethane-based oligomers (PU). Exposure assessment estimation was performed using EFSA's approach on the total sum of migrating oligomers. In certain cases, amounts of PS and PU oligomers found to be in some cases higher than the respective limits, for the sum of oligomers with a MW lower than 1000 Da. (C) 2020 Elsevier B.V. All rights reserved.