Chinese Journal of Pharmacovigilance ›› 2025, Vol. 22 ›› Issue (8): 883-888.
DOI: 10.19803/j.1672-8629.20250056

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Identification of in vitro and in vivo Chemical Constituents of Buxin Anmian Decoction Based on UPLC-Q Exactive Orbitrap HRMS

ZHENG Haiyun1, WANG Zhigang2, WU Hongwei3, WANG Shaonan1, WANG Bin1   

  1. 1Science and Technology Collaborating Center for Chinese Medicine, China Academy of Chinese Medical Sciences, Beijing 100700, China;
    2China Science and Technology Department of National Administration of Traditional Chinese Medicine, Beijing 100027, China;
    3Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China
  • Received:2025-01-23 Online:2025-08-15 Published:2025-08-13

Abstract: Objective To quickly identify the main chemical components of Buxin Anmian decoction in vitro and in vivo using ultra-high performance liquid chromatography-quadrupole-orbitrap mass spectrometry(UPLC-Q-Exactive Orbitrap HRMS) technology. Methods 50% ethanol was used to extract the active components of Buxin Anmian decoction via ultrasound. Eight SPF male SD rats were divided into the administration group and control group using the random number table method, with four rats in each. The rats in the administration group were given the 50% ethanol extract by gavage (the crude drug concentration was 2 g·mL-1), while those in the control group were given an equal dose of 0.5% sodium carboxymethyl cellulose by gavage. Blood samples were collected from the abdominal aorta after administration on the morning of the third day to prepare serum samples. Chromatographic separation was performed on a Waters ACQUITY UPLC BEH Shield RP C18 column (2.1 mm×100 mm, 1.7μm). The mobile phase composed of acetonitrile (A) and water containing 0.1% formic acid aqueous solution (B) was used for gradient elution. Positive and negative ion detection modes were adopted in mass spectrometry. Data was collected via full scan and automatic trigger secondary mass spectrometry (Full MS/dd MS2) . The scan ranged from m/z 100 to 1 500. By comparing the information about the accurate relative molecular mass and secondary fragment ion of the compound with the retention time of the reference substance, OTCML mass spectrometry database and related literature, the main chemical components of the decoration were identified. Results A total of 71 chemical constituents were identified from Buxin Anmian decoction, including 22 flavonoids, 19 triterpenses, 7 fatty acids, 5 phenylpropanoids, and 18 other compounds. Twenty-one prototype constituents were detected in the plasma. Conclusion Rapid multicomponent characterization and identification of Buxin Anmian decoction in vitro and in vivo have been completed in this study, providing data for exploration of effective substances and quality control.

Key words: Buxin Anmian Decoction, UPLC-Q Exactive Orbitrap HRMS, Chemical Constituent, Panax quinquefolius L., Flavonoids, Blood Components, Rats

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