Foundation for the Promotion of Health and Biomedical Research in the Valencian Region, FISABIO-Public Health, Valencia, Spain.
Public Health Laboratory of Valencia, Health Department of Valencia Regional Government, Valencia, Spain.
J Sep Sci. 2021 Aug;44(16):3020-3030. doi: 10.1002/jssc.202100205. Epub 2021 Jun 24.
A new, fast, and automatic approach has been applied for the tentative identification of unknown substances released by food contact epoxy resin after performing a migration test with food simulant. This approach combines intelligent data acquisition with AcquireX linked to liquid chromatography-Orbitrap Tribrid high-resolution mass spectrometry using data dependent-tandem mass spectrometry with triple stage fragmentation coupled to Compound Discoverer™ software for automated data processing and compound identification. The identification of the observed features was performed using a set of identification criteria, including exact mass, isotope pattern, tandem mass spectrometry spectra match, and retention time. With these criteria, 263 substances were tentatively identified. Most of the identified compounds were additives, such as plasticisers, stabilizers, and antioxidants, used in different plastic applications. However, metabolites, biological constituents with pharmacological activity, and other substances with industrial applications were also detected. In order to perform a risk assessment of the food contact epoxy resin, threshold of toxicological concern approach was applied for the identified compounds. There was not risk associated with the migration of the identified substances.
一种新的、快速的、自动的方法已经被应用于在使用食品模拟物进行迁移测试后，对食品接触用环氧树脂释放的未知物质进行初步识别。该方法将智能数据采集与 AcquireX 相结合，使用带有三重分段碎裂的串联质谱的液质联用-轨道阱三重四极杆高分辨质谱，与 Compound Discoverer™软件结合用于自动数据处理和化合物识别。通过一组鉴定标准（包括精确质量、同位素模式、串联质谱谱图匹配和保留时间）对观察到的特征进行鉴定。根据这些标准，共鉴定出 263 种物质。鉴定出的大多数化合物是添加剂，如增塑剂、稳定剂和抗氧化剂，用于不同的塑料应用。然而，也检测到了代谢物、具有药理活性的生物成分和其他具有工业应用的物质。为了对食品接触用环氧树脂进行风险评估，采用毒理学关注阈值方法对鉴定出的化合物进行了评估。鉴定出的物质迁移没有风险。
