Twenty-four substances, mainly NIAS, have been tentatively identified in food contact polycarbonate through the application a new, fast, and automated analytical strategy for the investigation of unknowns in food contact materials. Most of the identified compounds were plasticizers, slip agents, antioxidants, and ultraviolet stabilizers and fragrances, and the majority of them have not been previously identified in PC food contact materials. The workflow setup includes an intelligent data acquisition applied using LC-Orbitrap Tribrid-HRMS (MS³), with an automated data processing using Compound Discoverer^TM. To obtain a high confidence identification of unknown substances, a very strict criterion has been established, which comprises exact mass, isotopic profile, MS² match, retention time, and MS³ match. To check for the safety of the migration from the food contact polycarbonate, a risk assessment was achieved using the threshold of the toxicological concern (TTC) approach. Except for the slip agent hexadecanamide, the compounds tentatively identified do not represent a risk.

中文翻译：

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LC-Orbitrap Tribrid HRMS-DDMS3从食品接触聚碳酸酯中鉴定出24种未知物质（NIAS / IAS）：安全性评估

通过应用一种新的，快速，自动化的分析策略来调查食品接触材料中的未知物，已初步确定了食品接触聚碳酸酯中的24种物质（主要是NIAS）。大部分已鉴定的化合物是增塑剂，增滑剂，抗氧化剂，紫外线稳定剂和香料，其中大多数以前尚未在PC食品接触材料中鉴定出来。工作流程设置包括使用LC-Orbitrap Tribrid-HRMS（MS ³）应用的智能数据采集，以及使用Compound Discoverer ^TM的自动数据处理。为了获得未知物质的高可信度鉴定，已经建立了非常严格的标准，其中包括精确的质量，同位素分布，MS ²匹配，保留时间和MS ³匹配。为了检查从食品接触聚碳酸酯迁移的安全性，使用毒理学关注阈值（TTC）进行了风险评估。除增滑剂十六烷酰胺外，初步确定的化合物不构成风险。