Zhang Wen-Wen, Yao Chang-Liang, Chen Xue-Bing, Wei Xue-Mei, Chen Ling, Zhnag Jian-Qing, Yao Shuai, Guo De-An
School of Chinese Materia Medica, Nanjing University of Chinese Medicine Nanjing 210023, China Shanghai Institute of Materia Medica, Chinese Academy of Sciences Shanghai 201203, China.
Shanghai Institute of Materia Medica, Chinese Academy of Sciences Shanghai 201203, China.
Zhongguo Zhong Yao Za Zhi. 2022 Apr;47(8):2121-2133. doi: 10.19540/j.cnki.cjcmm.20210330.302.
Based on the combination of ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry(UPLC-Q-TOF) and Waters UNIFI software, the chemical constituents of the classic prescription Xiaochengqi Decoction were qualitatively analyzed and identified. The UPLC conditions are as follows: Acquity HSS T3 reverse phase column(2.1 mm ×100 mm, 1.8 μm), column temperature of 30 ℃, mobile phase of 0.1% formic acid aqueous solution(A)-acetonitrile(B), and flow rate of 0.3 mL·min(-1). High-resolution MS data of Xiaochengqi Decoction were collected in ESI(+/-) modes by Fast DDA. The structures of the chemical constituents were tentatively characterized or identified by UNIFI software according to the retention time of reference standards and characteristic fragment ions in MS profile, and literature data. A total of 233 components in Xiaochengqi Decoction were identified, with 93 from wine-processed Rhei Radix et Rhizoma, 104 from bran-processed Aurantii Fructus Immaturus, and 36 from ginger-processed Magnoliae Officinalis Cortex. These 233 components included anthraquinones, flavonoids, lignans, alkaloids, coumarins, and phenylethanoid glycosides. The result provided experimental evidence for the further study on establishment of quality standard and product development of the formula.
基于超高效液相色谱-四极杆飞行时间质谱联用技术（UPLC-Q-TOF）与沃特世UNIFI软件相结合，对经典方剂小承气汤的化学成分进行了定性分析和鉴定。UPLC条件如下：Acquity HSS T3反相柱（2.1 mm×100 mm，1.8 μm），柱温30℃，流动相为0.1%甲酸水溶液（A）-乙腈（B），流速0.3 mL·min⁻¹。小承气汤的高分辨质谱数据通过快速数据依赖采集（Fast DDA）在电喷雾电离正/负离子模式（ESI⁺/⁻）下收集得到。根据对照品的保留时间、质谱图中的特征碎片离子以及文献数据，利用UNIFI软件对化学成分的结构进行了初步表征或鉴定。共鉴定出小承气汤中的233种成分，其中来自酒大黄的有93种，来自麸炒枳实的有104种，来自姜厚朴的有36种。这233种成分包括蒽醌类、黄酮类、木脂素类、生物碱类、香豆素类和苯乙醇苷类。该结果为该方剂质量标准的建立和产品开发的进一步研究提供了实验依据。
