Karapakdee P.Wilairat P.Kokpol S.Nolvachai Y.Kulsing C.Mahidol University2023-12-152023-12-152024-01-11Journal of Chromatography A Vol.1714 (2024)00219673https://repository.li.mahidol.ac.th/handle/20.500.14594/91452This study presents a novel tandem mass spectrometry (MS/MS) approach utilizing a data independent acquisition (DIA) concept specifically designed with gas chromatography−electron ionization−triple quadrupole mass spectrometry (GC−EI-QqQMS). This allows compound identification based on comparison between all the experimental MS/MS product ion spectra and the simulated library data of >1,000 MS/MS transitions of 71 compounds. The simulation data were generated by using the Competitive Fragmentation Modeling (CFM-ID) 3.0 program. The approach for calculation of the DIA MS/MS library match scores was then established and applied for identification of a range of terpenoids and oxygenated compounds in perfume. The identity of each peak was confirmed using 4–241 MS/MS transitions. The established data collection and analysis methods are expected to be useful for increased confidence in volatile compound analysis.ChemistryArticleSCOPUS10.1016/j.chroma.2023.4645272-s2.0-8517865723718733778