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Updated: Oct 15, 2026

Technical Approach for Structural Analysis of an Unknown Compound in Huoxiang Zhengqi Oral Liquid based on Linear Ion Trap Mass Spectrometry
Published on: April 3, 2026
[In vivo and in vitro component analysis of Panlongqi Tablets based on HPLC-Q-TOF-MS/MS]
Xiao-Xuan Li1, Jia-Lin Wang2, Qian-Qian Yan2
1College of Pharmacy, Fujian University of Traditional Chinese Medicine Fuzhou 350122, China State Key Laboratory for Quality Ensurance and Sustainable Use of Dao-di Herbs Beijing 100700, China Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences Beijing 100700, China.
Abstract:
In order to rapidly and accurately identify the in vivo and in vitro components of Panlongqi Tablets,this study employed HPLC-Q-TOF-MS/MS to conduct a qualitative analysis of the chemical components and the prototype compounds that enter the bloodstream. The chromatographic separation was carried out by gradient elution through an Agilent Zorbax SB C_(18) column(4. 6 mm × 250 mm,5 μm),with a mobile phase consisting of 0. 1% formic acid in water(A) and acetonitrile(B). The column temperature was maintained at 35 ℃,with a flow rate of 1. 0 m L·min~(-1). The mass spectrometry analysis was performed with an electrospray ionization(ESI) source,with both positive and negative ion scanning modes being employed to collect the mass spectral data. The study involved 12 male SD rats,which were randomly allocated into two groups: a blank group and a Panlongqi Tablets group. The rats in the Panlongqi Tablets group were administrated with a drug suspension at a concentration of 480 g·L~(-1) by gavage,while the rats in the blank group were administrated with an equal volume of distilled water. The drug was administered three times,and one hour after the third administration,blood plasma was collected from the rats. The plasma samples were processed and analyzed for their chemical components. By comparing the data with relevant information from the literature and reference standards,the in vitro and in vivo components were identified in both the positive and negative ion modes. The results showed that a total of 105 chemical components were identified in the extract of Panlongqi Tablets,including 28 terpenoids,19 organic acids,13 alkaloids,7 quinones,6 volatile oils,5 glycosides,8 phenylpropanoids,3 sugars,4 flavonoids,and 12 other compounds. In the rat plasma,30 prototype compounds and 27 metabolites were identified,with terpenoids and organic acids being the predominant components. This study successfully achieved the rapid characterization and identification of the chemical components and prototype compounds that enter the bloodstream from Panlongqi Tablets. The results provide valuable experimental evidence for studying the pharmacodynamic material basis and the mechanism of action of Panlongqi Tablets.
