{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Song XC"],"funding":["China Scholarship Council","Gobierno de Arag?n","European Social Fund","Ministerio de Ciencia e Innovaci?n"],"pagination":["4457-4466"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9011387"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["70(14)"],"pubmed_abstract":["The chemicals in food contact materials (FCMs) can migrate into food and endanger human health. In this study, we developed a database of traveling wave collision cross section in nitrogen (<sup>TW</sup>CCS<sub>N2</sub>) values for extractables and leachables from FCMs. The database contains a total of 1038 <sup>TW</sup>CCS<sub>N2</sub> values from 675 standards including those commonly used additives and nonintentionally added substances in FCMs. The <sup>TW</sup>CCS<sub>N2</sub> values in the database were compared to previously published values, and 85.7, 87.7, and 64.9% [M + H]<sup>+</sup>, [M + Na]<sup>+</sup>, and [M - H]<sup>-</sup> adducts showed deviations <2%, with the presence of protomers, post-ion mobility spectrometry dissociation of noncovalent clusters and inconsistent cali"],"journal":["Journal of agricultural and food chemistry"],"pubmed_title":["A Collision Cross Section Database for Extractables and Leachables from Food Contact Materials."],"pmcid":["PMC9011387"],"funding_grant_id":["201806780031","RTI2018-097805-B-I00","T53-20R"],"pubmed_authors":["Dreolin N","Goshawk J","Canellas E","Nerin C","Song XC"],"additional_accession":[]},"is_claimable":false,"name":"A Collision Cross Section Database for Extractables and Leachables from Food Contact Materials.","description":"The chemicals in food contact materials (FCMs) can migrate into food and endanger human health. In this study, we developed a database of traveling wave collision cross section in nitrogen (<sup>TW</sup>CCS<sub>N2</sub>) values for extractables and leachables from FCMs. The database contains a total of 1038 <sup>TW</sup>CCS<sub>N2</sub> values from 675 standards including those commonly used additives and nonintentionally added substances in FCMs. The <sup>TW</sup>CCS<sub>N2</sub> values in the database were compared to previously published values, and 85.7, 87.7, and 64.9% [M + H]<sup>+</sup>, [M + Na]<sup>+</sup>, and [M - H]<sup>-</sup> adducts showed deviations <2%, with the presence of protomers, post-ion mobility spectrometry dissociation of noncovalent clusters and inconsistent cali","dates":{"release":"2022-01-01T00:00:00Z","publication":"2022 Apr","modification":"2025-04-18T22:58:44.388Z","creation":"2025-02-19T03:41:50.262Z"},"accession":"S-EPMC9011387","cross_references":{"pubmed":["35380813"],"doi":["10.1021/acs.jafc.2c00724"]}}