High-throughput mass spectrometry scheme for screening and quantification of flavonoids in antioxidant nutraceuticals

Abstract

Antioxidant nutraceuticals functional characteristic science is a challenging field for combining sensitivity and comprehensiveness. A untargeted screening and quantification method based on ultra-high performance liquid chromatography coupled to Quadrupole-Orbitrap high resolution mass spectrometry has been developed for determination of multiple classes of flavonoids in eight-three nutraceuticals samples. The data acquisition is based on a non-target approach of sequential full scan and variable data independent acquisition of twenty consecutive fragmentation events. The flavonoids include flavanols, flavones, flavanones, anthocyanidins, flavonols and isoflavones. A processing strategy is introduced to implementing filtering methods based on data feature extraction, common ion selection, shoulder peak removal, response threshold adjustment, mass shift and characteristic structural fragments evaluation. Confirmation is based on both accurate mass and isotopic assignment of standards, and further quantification is achieved by fragmentation. This scheme allows in depth characterization of flavonoids with the entire fragments.

Keywords: Fragmentation; Multiple-classes analysis; Screening; UHPLC Q-Orbitrap.