Jia Jin-Ru, Li Han, Tu Peng-Fei, Yu Juan, Zhao Yun-Fang, Song Yue-Lin
Modern Research Center for Traditional Chinese Medicine, School of Chinese Materia Medica, Beijing University of Chinese Medicine Beijing 100029, China.
Zhangzhou Pien-Tze-Huang Pharmaceutical Co., Ltd. Zhangzhou 363000, China.
Zhongguo Zhong Yao Za Zhi. 2022 Jul;47(13):3501-3510. doi: 10.19540/j.cnki.cjcmm.20211025.301.
Pien-Tze-Huang, one of the most famous and widely used Chinese medicinal prescriptions in China, consists of Notoginseng Radix et Rhizoma, Bovis Calculus, Fel Serpentis, and Moschus.The prescription can clear heat and remove toxin, cool blood and resolve blood stasis, and relieve swelling and pain.Characterizing the chemical composition can facilitate the construction of the quality standard and the research on the effective compounds and action mechanism of Pien-Tze-Huang.Therefore, this study used direct infusion(DI)-MS/MS(ALL) method to rapidly and accurately reveal the chemical composition of Pien-Tze-Huang.The principle of chemical composition profiling of Chinese medicinal prescriptions lies in the MS1-MS2 dataset construction, followed by structural annotation based on MS/MS spectra and summarizing of mass fragmentation pathways.MS/MS(ALL) owns unique mass spectrometric separation ability via applying gas phase fractionation which enables MS1 ion cohort successively enter the collision cell and acquire MS2 spectrum for each precursor ion current with a width of m/z=1.Because DI can provide desired measurement time, MS/MS(ALL) is able to acquire MS2 spectrum for each compound individually except for the compounds which share identical nominal molecular weight, even isomers.A total of 52 compounds were identified in Pien-Tze-Huang, including 16 saponins, 24 bile acids, 9 fatty acids, 2 saccharides, and 1 other compound.DI-MS/MS~(ALL) can simultaneously identify the compounds with different polarities in a short time, which is superior to LC-MS.This study provides a powerful tool for the rapid chemome profiling of Chinese medicinal prescriptions.
片仔癀是中国最著名且应用广泛的中药方剂之一，由三七、牛黄、蛇胆和麝香组成。该方剂具有清热解毒、凉血化瘀、消肿止痛的功效。对其化学成分进行表征有助于构建片仔癀的质量标准以及对其有效成分和作用机制进行研究。因此，本研究采用直接进样（DI）-MS/MSALL方法快速准确地揭示片仔癀的化学成分。中药方剂化学成分剖析的原理在于构建MS1-MS2数据集，随后基于MS/MS谱图进行结构注释并总结质谱裂解途径。MS/MSALL通过应用气相分馏具有独特的质谱分离能力，可使MS1离子簇依次进入碰撞池并为每个宽度为m/z = 1的前体离子流获取MS2谱图。由于DI能提供所需的测量时间，MS/MSALL能够为每个化合物单独获取MS2谱图，除了具有相同标称分子量的化合物，甚至包括异构体。在片仔癀中总共鉴定出52种化合物，包括16种皂苷、24种胆汁酸、9种脂肪酸、2种糖类和1种其他化合物。DI-MS/MSALL能够在短时间内同时鉴定不同极性的化合物，优于液相色谱-质谱联用技术。本研究为中药方剂的快速化学物质组剖析提供了有力工具。
