000163907 001__ 163907 000163907 005__ 20251113160752.0 000163907 0247_ $$2doi$$a10.1016/j.talanta.2019.05.029 000163907 0248_ $$2sideral$$a112430 000163907 037__ $$aART-2019-112430 000163907 041__ $$aeng 000163907 100__ $$aSu, Qi-Zhu 000163907 245__ $$aNon-target screening of (semi-)volatiles in food-grade polymers by comparison of atmospheric pressure gas chromatography quadrupole time-of-flight and electron ionization mass spectrometry 000163907 260__ $$c2019 000163907 5060_ $$aAccess copy available to the general public$$fUnrestricted 000163907 5203_ $$aAtmospheric pressure gas chromatography (APGC)coupled to quadrupole time-of-flight (QTOF)and electron ionization mass spectrometry together with commercial library search are two complementary techniques for non-target screening of volatile and semi-volatile compounds. Optimization was first conducted to achieve easier search of correspondent peaks between the two systems. Analytical strategy for the determination of volatile and semi-volatile compound with different identification confidence levels was then proposed and applied to food contact grade polypropylene (PP)samples. Identification was found to be much easier and less time-consuming especially when correspondent peak was found in the two systems with the help of library search, exact mass of precursor and fragment ions as well as Kovats Index (KI). The behavior of APGC-QTOF-MS was also further investigated. Apart from the M +. ion and the well-known adduct [M+H] + others such as [M-3H + O] + , [M-3H+2O] + and [M-H+3O] + were also observed for n-alkanes. Besides, new reaction products were found, formed by diol compounds (1-Monostearoylglycerol, 2-Monostearoylglycerol and NX 8000K)and silanediol dimethyl, which would be a transformation product of the silicone base septum or the methyl 5% phenyl polysiloxane based column. These new compounds were only detected in APGC-MS-QTOF as EI-GC-MS was not enough sensitive for this purpose. © 2019 Elsevier B.V. 000163907 540__ $$9info:eu-repo/semantics/openAccess$$aAll rights reserved$$uhttp://www.europeana.eu/rights/rr-f/ 000163907 590__ $$a5.339$$b2019 000163907 591__ $$aCHEMISTRY, ANALYTICAL$$b11 / 86 = 0.128$$c2019$$dQ1$$eT1 000163907 592__ $$a1.178$$b2019 000163907 593__ $$aAnalytical Chemistry$$c2019$$dQ1 000163907 593__ $$aSpectroscopy$$c2019$$dQ1 000163907 593__ $$aBiochemistry$$c2019$$dQ2 000163907 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/acceptedVersion 000163907 700__ $$0(orcid)0000-0002-8765-4319$$aVera, Paula$$uUniversidad de Zaragoza 000163907 700__ $$aVan de Wiele, Cathy 000163907 700__ $$0(orcid)0000-0003-2685-5739$$aNerín, Cristina$$uUniversidad de Zaragoza 000163907 700__ $$aLin, Qin-Bao 000163907 700__ $$aZhong, Huai-Ning 000163907 7102_ $$12009$$2750$$aUniversidad de Zaragoza$$bDpto. Química Analítica$$cÁrea Química Analítica 000163907 7102_ $$12009$$2X$$aUniversidad de Zaragoza$$bDpto. Química Analítica$$cProy. investigación HVA 000163907 773__ $$g202 (2019), 285-296$$pTalanta$$tTalanta$$x0039-9140 000163907 8564_ $$s733121$$uhttps://zaguan.unizar.es/record/163907/files/texto_completo.pdf$$yPostprint 000163907 8564_ $$s2615467$$uhttps://zaguan.unizar.es/record/163907/files/texto_completo.jpg?subformat=icon$$xicon$$yPostprint 000163907 909CO $$ooai:zaguan.unizar.es:163907$$particulos$$pdriver 000163907 951__ $$a2025-11-13-14:57:37 000163907 980__ $$aARTICLE