EU legislation requires that chemicals migrating from food packaging into food do not endanger human health. A proper safety assessment must go further than simply testing for known ingredients used to make the packaging materials. The identification of all potential migrants, including non-intentionally added substances (NIAS), is required to assess the safety of these materials. In this study, the benefits of using LC-ESI-Q-TOF-MS equipment combined with the data-independent acquisition method SWATH (Sequential Windowed Acquisition of All THeoretical MS) have been evaluated for the identification of unexpected migrants from multilayer plastic packaging materials. Identification of non-target peaks followed by filtering strategies facilitated the comprehensive identification procedure of unexpected migrants present in the food simulants. MS and MS/MS data from the most abundant ions in the samples were processed using formula finding and searched against open chemical and spectral databases, such as ChemSpider and METLIN, combined with bibliographic search. This approach has allowed the identification of 26 potential migrants, of which 23 were NIAS. Cyclic oligomers, possibly coming from polyurethane adhesives, were the main migrants in the studied materials. Evaluation of the toxicity of the tentatively identified migrants was carried out, showing that most of them were classified in the higher toxicity class according to Cramer rules. Most of the compounds detected in this study were previously reported in other studies of NIAS migration from plastic packaging materials, except for five of the tentatively identified oligomers that were found for the first time in this study. This study shows the high potential of non-targeted approaches using high resolution accurate mass spectrometry (HRAMS) with SWATH acquisition for the characterization of food packaging materials aimed at food safety evaluation.

欧盟立法要求从食品包装迁移到食品中的化学药品不会危害人类健康。适当的安全评估必须比简单地测试用于制造包装材料的已知成分还要进一步。必须鉴定所有潜在的移民，包括非故意添加的物质（NIAS），以评估这些材料的安全性。在这项研究中，评估了使用LC-ESI-Q-TOF-MS设备与独立于数据的采集方法SWATH（所有理论MS的顺序窗口采集）相结合来识别多层塑料包装材料中意外迁移的好处。 。对非目标峰的识别以及随后的过滤策略，促进了食品模拟物中存在的意外移民的全面识别过程。使用公式查找处理来自样品中最丰富离子的MS和MS / MS数据，并与开放式化学和光谱数据库（如ChemSpider和METLIN）结合书目搜索进行搜索。这种方法可以识别出26名潜在移民，其中23名是NIAS。环状低聚物，可能来自聚氨酯胶粘剂，是研究材料中的主要迁移物。对暂定身份的移民的毒性进行了评估，结果表明，根据Cramer规则，大多数移民被归为较高毒性类别。本研究中检测到的大多数化合物以前是在NIAS从塑料包装材料中迁移的其他研究中进行报道的，但在本研究中首次发现的5种经初步鉴定的低聚物除外。