Ingredient Analysis

Fragmentation pathway of neoflavonoid in Dalbergia genus using ultra performance liquid chromatography/ quadrupole-time-of-flight mass spectrometry*

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  • 1. Key Laboratory of Modern Preparation of Traditional Chinese Medicine, Ministry of Education, Jiangxi University of Chinese Medicine, Nanchang 330004, China;
    2. Jiangxi University of Chinese Medicine Large Precision Instrumen Sharing Service Center, Jiangxi University of Chinese Medicine, Nanchang 330004, China;
    3. Research Center for Differentiatuion and Development of Traditional Chinese Medicine Basic Theory, Jiangxi University of Chinese Medicine, Nanchang 330004, China

Received date: 2023-07-05

  Online published: 2024-06-24

Abstract

Objective: To investigate the mass spectrometry fragmentation pathway of neoflavonoids in Dalbergia genus. Methods: MS/MS spectra of four substructural types of neoflavonoids, including dalbergiphenols, dalbergiones, dalbergins and benzophenones were obtained in the positive or negative ion mode using UPLC-Q-TOF-MS/MS. Then, the correctness of MS fragmentation and the mass spectrometry fragmentation pathway of neoflavonoids were analyzed by ChemBioDraw Ultra 14.0 software. Results: The fragmentation pathways of four substructural types of neoflavonoids were confirmed. Under the condition of the negative ion mode, dalbergiphenols loss CH3 fragment ions. Then the neutral fragments such as H2O, CO and C2H2 were successively lost from the A and B rings. Under the condition of the negative ion mode, neutral fragments such as CH3, CO and H2O in the structure of dalbergiones were lost. Under the condition of the negative ion mode, the parent ion lactone in the structure of dalbergins further lost the neutral molecule CO2 after losing CH3 and CO successively. Under the condition of the positive ion mode, the chains on both sides of carbonyl group in the structure of benzophenones were broken at the same time to form two fragment ions,respectively. Among them, ring A lost CH3 fragment and ring B lost CO fragment. Conclusion: These results provide the new information for the rapid identification and pharmacokinetic analysis of neoflavonoids in the future.

Cite this article

FAN Sheng-xian, YUAN En, MEI Hui, ZHANG Qi-yun, SHAO Feng, TANG Fang-rui, GAO Liang, WANG Ying-yi . Fragmentation pathway of neoflavonoid in Dalbergia genus using ultra performance liquid chromatography/ quadrupole-time-of-flight mass spectrometry*[J]. Chinese Journal of Pharmaceutical Analysis, 2023 , 43(8) : 1312 -1320 . DOI: 10.16155/j.0254-1793.2023.08.06

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