163907 20251113160752.0 doi 10.1016/j.talanta.2019.05.029 sideral 112430 ART-2019-112430 eng Su, Qi-Zhu Non-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 2019 Atmospheric 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. Access copy available to the general public Unrestricted info:eu-repo/semantics/openAccess All rights reserved http://www.europeana.eu/rights/rr-f/ 5.339 2019 CHEMISTRY, ANALYTICAL 11 / 86 = 0.128 2019 Q1 T1 1.178 2019 Analytical Chemistry 2019 Q1 Spectroscopy 2019 Q1 Biochemistry 2019 Q2 info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion Vera, Paula Universidad de Zaragoza (orcid)0000-0002-8765-4319 Van de Wiele, Cathy Nerín, Cristina Universidad de Zaragoza (orcid)0000-0003-2685-5739 Lin, Qin-Bao Zhong, Huai-Ning 2009 750 Universidad de Zaragoza Dpto. Química Analítica Área Química Analítica 2009 X Universidad de Zaragoza Dpto. Química Analítica Proy. investigación HVA 202 (2019), 285-296 Talanta Talanta 0039-9140 733121 http://zaguan.unizar.es/record/163907/files/texto_completo.pdf Postprint 2615467 http://zaguan.unizar.es/record/163907/files/texto_completo.jpg?subformat=icon icon Postprint oai:zaguan.unizar.es:163907 articulos driver 2025-11-13-14:57:37 ARTICLE