doi:10.1021/acs.jafc.2c00724engSong, Xue-ChaoCanellas, ElenaDreolin, NicolaGoshawk, JeffNerin, CristinaA collision cross section database for extractables and leachables from food contact materialsART-2022-129223The 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 ((CCSN2)-C-TW) values for extractables and leachables from FCMs. The database contains a total of 1038 (CCSN2)-C-TW values from 675 standards including those commonly used additives and nonintentionally added substances in FCMs. The (CCSN2)-C-TW values in the database were compared to previously published values, and 85.7, 87.7, and 64.9% M + H](+), M + Na](+), and M - H](-) adducts showed deviations <2%, with the presence of protomers, post-ion mobility spectrometry dissociation of noncovalent clusters and inconsistent calibration are possible sources of CCS deviations. Our experimental (CCSN2)-C-TW values were also compared to CCS values from three prediction tools. Of the three, CCSondemand gave the most accurate predictions. The (CCSN2)-C-TW database developed will aid the identification and differentiation of chemicals from FCMs in targeted and untargeted analysis.2022http://zaguan.unizar.es/record/11763010.1021/acs.jafc.2c00724http://zaguan.unizar.es/record/117630oai:zaguan.unizar.es:117630info:eu-repo/grantAgreement/ES/DGA-FEDER/T53-20Rinfo:eu-repo/grantAgreement/ES/MICINN/RTI2018-097805-B-I00JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY 70, 14 (2022), 4457-4466byhttp://creativecommons.org/licenses/by/3.0/es/info:eu-repo/semantics/openAccess