Acta Scientiarum Naturalium Universitatis Sunyatseni


Diterpenoid alkaloids of the processed products of Aconiti Lateralis Radix Praeparata based on UPLC-Q-TOF-MS/MS and GNPS

FAN Qian, CHENG Xuebing, WANG Yumei, RONG Li, ZHANG Cuixian   

  1. School of Pharmaceutical Sciences, Guangzhou University of Chinese Medicine, Guangzhou 510006, China
  • Received:2020-02-21 Online:2020-07-08 Published:2020-07-08


 The processed product of Aconiti Lateralis Radix Praeparata (PAC) is a traditional Chinese medicine with cardiac, anti-inflammatory, and rheumatoid arthritis activities. The diterpenoid alkaloids are the main active ingredients of PAC. In order to comprehensively analyze the composition of diterpenoid alkaloids in PAC and explore its potential and new compounds, this study used ultra-high-performance liquid chromatography combined with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF -MS/MS) coupled with a GNPS (global natural products social molecular networking) strategy to quickly characterize the compositions of PAC. And the GNPS excavated new molecular weight to discover the unknown or trace natural products based on the characteristics of each cluster. A total of 123 compounds were characterized, including 21 diester diterpenoid alkaloids (DDAs), 11 lipo alkaloids (Lipo-As), 43 monoester diterpenoid alkaloids (MDAs), 47 aminoalcohol-diterpenoid alkaloids (ADAs), 1 polyester diterpenoid alkaloid (PDAs). 34 of them were discovered for the first time. This study utilized a GNPS-based screening approach with a significant increase of efficiency for the discovery and identification of trace novel natural products. The results have expanded our understanding of the chemical material of PAC.

Key words:

UPLC-Q-TOF-MS/MS, the processed products of Aconiti Lateralis Radix Praeparata, global natural products social molecular networking(GNPS), diterpenoid alkaloids

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