A novel range-divided data dependent acquisition strategy for screening of diterpenoid alkaloids in Aconitum pendulum roots

Abstract

A novel range-divided data dependent acquisition (DDA) strategy was proposed for the screening of diterpenoid alkaloids in Aconitum pendulum roots. In range-divided DDA, the low-range was set between m/z 340–500 and the high-range was set between m/z 500–700 according to the molecular weight range of the diterpenoid alkaloids. The combined identification approach including MS¹ molecular weight, MS² spectrum interpretation, literature comparison, and standard verification was applied to the results. The range-divided DDA identified 15 more diterpenoid alkaloids than the full-range DDA under the same LC conditions. A total of 47 diterpenoid alkaloids were identified. Among them, brachyaconitines A-D were screened for the first time in Aconitum pendulum. This screening strategy can serve as a powerful tool for the discovery of novel metabolites in the field of plant metabolomics.