Although gas chromatography–triple quadrupole mass spectrometry (GC-MS/MS) has been applied to the determination of polychlorinated dibenzo-p-dioxins and furans (PCDD/Fs) in various food samples, there is insufficient evidence evaluate its equivalence with chromatography–high resolution (HRMS). In present study, two GC-MS/MS instruments different ion sources (advanced electron ionization [EI] a...

Identifying non-annotated peaks may have a significant impact on the understanding of biological systems. In silico methodologies have focused on ESI LC/MS/MS for identifying non-annotated MS peaks. In this study, we employed in silico methodology to develop an Isotopic Ratio Outlier Analysis (IROA) workflow using enhanced mass spectrometric data acquired with the ultra-high resolution GC-Orbit...

Our understanding of formation processes, physical properties, and climate/health effects of organic aerosols is still limited in part due to limited knowledge of organic aerosol composition. We present speciated measurements of organic aerosol composition by two methods: in situ thermaldesorption proton-transfer-reaction mass spectrometry (TDPTR-MS) and offline two-dimensional gas chromatograp...