Person-portable gas chromatography-toroidal ion trap mass spectrometry analysis of coffee bean volatile organic compounds

Riley Herron, Anna Lipphardt, Luisa Euler, Yada Nolvachai, Philip J. Marriott

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Analysis of roasted coffee bean volatile organic compounds (VOCs) was performed using person-portable gas chromatography–toroidal ion trap mass spectrometry (ppGC–TMS). Chromatographic separation performance and mass spectra were compared and contrasted with benchtop gas chromatography–quadrupole time-of-flight mass spectrometry (GC–QTOFMS) and gas chromatography–quadrupole mass spectrometry (GC–QMS). The tentative identification of about 50 analytes was established in benchtop analysis, based on accurate MS data, MS spectrum matching and retention indices, and contrasted with 20 individual analyte peaks similarly recognised in ppGC–TMS analysis. This study suggests the suitability of ppGC–TMS analysis for rapid coffee VOC profiling with minimal sample preparation, using selective key chemical markers, with potential use for on-site process monitoring and roasting optimisation.

Original languageEnglish
Article number116797
Number of pages9
JournalInternational Journal of Mass Spectrometry
Publication statusPublished - Mar 2022


  • Coffee roasting
  • Fast GC analysis
  • Person-portable GC‒TMS
  • Pyrazines

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