Data independent acquisition for gas chromatographic MS/MS analysis of volatile compounds
Issued Date
2024-01-11
Resource Type
ISSN
00219673
eISSN
18733778
Scopus ID
2-s2.0-85178657237
Journal Title
Journal of Chromatography A
Volume
1714
Rights Holder(s)
SCOPUS
Bibliographic Citation
Journal of Chromatography A Vol.1714 (2024)
Suggested Citation
Karapakdee P., Wilairat P., Kokpol S., Nolvachai Y., Kulsing C. Data independent acquisition for gas chromatographic MS/MS analysis of volatile compounds. Journal of Chromatography A Vol.1714 (2024). doi:10.1016/j.chroma.2023.464527 Retrieved from: https://repository.li.mahidol.ac.th/handle/20.500.14594/91452
Title
Data independent acquisition for gas chromatographic MS/MS analysis of volatile compounds
Author(s)
Other Contributor(s)
Abstract
This 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.