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"Screening for more than 1,000 pesticides and environmental contaminants in cannabis by GC/Q-TOF"
A method has been developed to screen cannabis extracts for more than 1,000 pesticides and environmental pollutants using gas chromatography coupled to a high-resolution accurate mass quadrupole time-of-flight mass spectrometer (GC/Q-TOF). An extraction procedure was developed using acetonitrile with solid-phase extraction cleanup. Before analysis, extracts were diluted 125:1 with solvent. Two data mining approaches were used together with a retention-time-locked Personal Compound Database and Library (PCDL) containing high-resolution accurate mass spectra for pesticides and other environmental pollutants. In the first approach, a Find-by-Fragments (FbF) software tool extracted several characteristic exact mass ions within a small retention time window where the compound eluted. For each compound in the PCDL, the software evaluated the peak shape and retention time of each ion, as well as the monoisotopic exact mass, ion ratios, and other factors to decide if the compound was present or not. (Full article...)
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