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Updated: May 27, 2026
2D-HPLC-MS Technology Combined with Molecular Network for the Identification of Components in Tibetan Medicine Aconitum pendulum
Published on: December 8, 2023
[Studies on new hydrolysate of aconitine using HPLC-MS(n) and quantum chemistry calculation]
Peng Tan1, Yonggang Liu, Jun Guan
1Beijing University of Chinese Medicine, Beijing 100102, China. tanpengtcm@163.com
Objective:
To study the new hydrolysate of aconitine using HPLC-MS(n) and quantum chemistry calculation.
Method:
The HPLC method was applied in gradient elution program and the mass spectrometry was in positive ion mode. Geometries of the possible hydrolysates were optimized at DFT/6-31G(d) level.
Result:
The new hydrolysate was found and its protonated molecularions was at m/z 482. The quantum chemistry calculation results show that the product of elimination reations at C8 and C15 got the lowest energy conformation. The compound at m/z 482 was decluced to be the hydrolysate of carbony at C15.
Conclusion:
Delydration aconine was detected for the first time and the new hydrolysis pathways of aconitine in water were deduced.
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