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