吡咯里西啶生物碱的精确质量 Q-TOF LC/MS 及全离子 MS/MS
Pyrrolizidinealkaloids (PAs) and their N-oxides (PANOs) have serious hepatotoxiceffects in both humans and animals, necessitating a method capable of detecting,characterizing, and quantifying them using a robust assay. While triple quadrupoleLC/MS systems are idealfor targeted detection, targeted analysis requires standards that are not always easily obtained. Only a fraction of known naturallyoccurring PAs are available as standards. Triple quadrupole analyses are also notuseful for screening unknowns. High-resolution mass spectrometers that provideaccurate-mass data enable characterization of unknown PAs/PANOs without theneed for specific standards. This application note presents a workflow that uses accurate-mass Q-TOF LC/MS,with All Ions MS/MS and database/mass spectral library searching, for the selective and sensitive characterization, screening, tentative identification, andquantification of PAs and PANOs in botanicals and dietary supplements. Twenty-five PA/PANO standards were characterized using their high-resolutionaccurate-mass MS/MS spectra. These data were used to create a personal com-pound database and library (PCDL) that was then used to screen for PAs/PANOs in44 botanical and dietary supplement samples. Quantitation was performed usingQ-TOF LC/MS response. PAs/PANOs not specifically targeted were tentatively identified using characteristic fragment ions and fragmentation patterns. ThePAs/PANOs characterized could potentially lead to the discovery of more uniquePAs in additional botanical and dietary supplement samples.