000163912 001__ 163912 000163912 005__ 20251113160752.0 000163912 0247_ $$2doi$$a10.1021/acs.analchem.9b02238 000163912 0248_ $$2sideral$$a115269 000163912 037__ $$aART-2019-115269 000163912 041__ $$aeng 000163912 100__ $$0(orcid)0000-0002-8765-4319$$aVera, Paula$$uUniversidad de Zaragoza 000163912 245__ $$aIon-mobility quadrupole time-of-flight mass spectrometry: A novel technique applied to migration of nonintentionally added substances from polyethylene films intended for use as food packaging 000163912 260__ $$c2019 000163912 5060_ $$aAccess copy available to the general public$$fUnrestricted 000163912 5203_ $$aNontarget analysis of nonvolatile substances in complex samples is a very challenging task that requires powerful analytical techniques and experience of analyzing such samples. An extensive study was conducted in order to identify nonintentionally added substances (NIAS) migrating from 18 polyethylene (PE) samples intended to be in contact with food. The migration assays were performed in five simulants and analyzed by ultrahigh-performance liquid chromatography (UPLC) coupled to an ion-mobility separation (IMS) quadrupole-time-of-flight (QTOF) mass spectrometer. This experimental setup provides a novel and powerful tool for this type of nonvolatile and nontargeted analysis. Thirty-five compounds were identified, 17 of which were NIAS. Methyl and ethyl 3-(3, 5-di-tert-butyl-4-hydroxyphenyl) propanoate were found to be degradation products of either Irganox 1010 or Irganox 1076. Additionally, breakdown products including hexa-heptadecanamide, N, N''-1, 2-ethanediylbis- and 11-eicosenamide were identified together with impurity reaction products, e.g., dibutyl amine or compounds of unknown origin like phosphine oxide, tributyl-. Forty-five percent of the detected compounds are in the positive list contained in Regulation 10/2011/EU, and their migration values were below their specific migration limits. The risk assessment for the rest of the compounds was carried out by comparing their migration values to the maximum concentration recommended by Cramer, e.g., ethyl 3-(3, 5-di-tert-butyl-4-hydroxyphenyl) propanoate and benzenepropanoic acid, 3, 5-bis(1, 1-dimethylethyl)-4-hydroxy-, 1, 1''-[2, 2-bis(hydroxymethyl)-1, 3-propanediyl] ester (both class II toxicity), heptadecanamide, N, N''-1, 2-ethanediylbis-, and phosphine oxide, tributyl- (both class III toxicity) were above the maximum concentration values for three samples that were migrated to ethanol 95%, and therefore, these samples are not suitable for food contact. The analytical tools and procedures used in this study are presented and discussed in detail. 000163912 536__ $$9info:eu-repo/grantAgreement/ES/DGA/T53-17R$$9info:eu-repo/grantAgreement/EUR/INTERREG-POCTEFA/FOODYPLAST-EFA099-15$$9info:eu-repo/grantAgreement/EUR/INTERREG-V-POCTEFA-2014-2020 000163912 540__ $$9info:eu-repo/semantics/openAccess$$aAll rights reserved$$uhttp://www.europeana.eu/rights/rr-f/ 000163912 590__ $$a6.785$$b2019 000163912 591__ $$aCHEMISTRY, ANALYTICAL$$b7 / 86 = 0.081$$c2019$$dQ1$$eT1 000163912 592__ $$a2.127$$b2019 000163912 593__ $$aAnalytical Chemistry$$c2019$$dQ1 000163912 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/acceptedVersion 000163912 700__ $$0(orcid)0000-0003-2638-9221$$aCanellas, Elena$$uUniversidad de Zaragoza 000163912 700__ $$aBarknowitz, Gitte 000163912 700__ $$aGoshawk, Jeff 000163912 700__ $$0(orcid)0000-0003-2685-5739$$aNerin, Cristina$$uUniversidad de Zaragoza 000163912 7102_ $$12009$$2750$$aUniversidad de Zaragoza$$bDpto. Química Analítica$$cÁrea Química Analítica 000163912 7102_ $$12009$$2X$$aUniversidad de Zaragoza$$bDpto. Química Analítica$$cProy. investigación HVA 000163912 773__ $$g91, 20 (2019), 12741-12751$$pAnal. chem.$$tANALYTICAL CHEMISTRY$$x0003-2700 000163912 8564_ $$s519105$$uhttps://zaguan.unizar.es/record/163912/files/texto_completo.pdf$$yPostprint 000163912 8564_ $$s3447486$$uhttps://zaguan.unizar.es/record/163912/files/texto_completo.jpg?subformat=icon$$xicon$$yPostprint 000163912 909CO $$ooai:zaguan.unizar.es:163912$$particulos$$pdriver 000163912 951__ $$a2025-11-13-14:57:42 000163912 980__ $$aARTICLE