000117630 001__ 117630
000117630 005__ 20240319081010.0
000117630 0247_ $$2doi$$a10.1021/acs.jafc.2c00724
000117630 0248_ $$2sideral$$a129223
000117630 037__ $$aART-2022-129223
000117630 041__ $$aeng
000117630 100__ $$aSong, Xue-Chao
000117630 245__ $$aA collision cross section database for extractables and leachables from food contact materials
000117630 260__ $$c2022
000117630 5060_ $$aAccess copy available to the general public$$fUnrestricted
000117630 5203_ $$aThe 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.
000117630 536__ $$9info:eu-repo/grantAgreement/ES/DGA-FEDER/T53-20R$$9info:eu-repo/grantAgreement/ES/MICINN/RTI2018-097805-B-I00
000117630 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/
000117630 590__ $$a6.1$$b2022
000117630 592__ $$a1.099$$b2022
000117630 591__ $$aCHEMISTRY, APPLIED$$b10 / 72 = 0.139$$c2022$$dQ1$$eT1
000117630 593__ $$aChemistry (miscellaneous)$$c2022$$dQ1
000117630 591__ $$aAGRICULTURE, MULTIDISCIPLINARY$$b6 / 58 = 0.103$$c2022$$dQ1$$eT1
000117630 593__ $$aAgricultural and Biological Sciences (miscellaneous)$$c2022$$dQ1
000117630 591__ $$aFOOD SCIENCE & TECHNOLOGY$$b22 / 142 = 0.155$$c2022$$dQ1$$eT1
000117630 594__ $$a9.7$$b2022
000117630 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000117630 700__ $$aCanellas, Elena
000117630 700__ $$aDreolin, Nicola
000117630 700__ $$aGoshawk, Jeff
000117630 700__ $$0(orcid)0000-0003-2685-5739$$aNerin, Cristina$$uUniversidad de Zaragoza
000117630 7102_ $$12009$$2750$$aUniversidad de Zaragoza$$bDpto. Química Analítica$$cÁrea Química Analítica
000117630 773__ $$g70, 14 (2022), 4457-4466$$pJ. agric. food chem.$$tJOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY$$x0021-8561
000117630 8564_ $$s2211651$$uhttps://zaguan.unizar.es/record/117630/files/texto_completo.pdf$$yVersión publicada
000117630 8564_ $$s3218991$$uhttps://zaguan.unizar.es/record/117630/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000117630 909CO $$ooai:zaguan.unizar.es:117630$$particulos$$pdriver
000117630 951__ $$a2024-03-18-15:00:25
000117630 980__ $$aARTICLE