On August 3, 2022, Song, Xue-Chao; Canellas, Elena; Dreolin, Nicola; Goshawk, Jeff; Nerin, Cristina published an article.Formula: C33H54O6 The title of the article was Identification of Nonvolatile Migrates from Food Contact Materials Using Ion Mobility-High-Resolution Mass Spectrometry and in Silico Prediction Tools. And the article contained the following:
The identification of migrates from food contact materials (FCMs) is challenging due to the complex matrixes and limited availability of com. standards The use of machine-learning-based prediction tools can help in the identification of such compounds This study presents a workflow to identify nonvolatile migrates from FCMs based on liquid chromatog.-ion mobility-high-resolution mass spectrometry together with in silico retention time (RT) and collision cross section (CCS) prediction tools. The applicability of this workflow was evaluated by screening the chems. that migrated from polyamide (PA) spatulas. The number of candidate compounds was reduced by approx. 75% and 29% on applying RT and CCS prediction filters, resp. A total of 95 compounds were identified in the PA spatulas of which 54 compounds were confirmed using reference standards The development of a database containing predicted RT and CCS values of compounds related to FCMs can aid in the identification of chems. in FCMs. The experimental process involved the reaction of Tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate(cas: 3319-31-1).Formula: C33H54O6
The Article related to nonvolatile migration food contact material ion mobility spectrometry model, collision cross section, food contact materials, food safety, in silico tools, ion mobility, machine learning, migration, polyamide, retention time prediction and other aspects.Formula: C33H54O6
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