Wang Hong-Ping, Lin Zhao-Zhou, Wang Hui, Yang Xuan, Niu Nan
Scientific Research Institute of Beijing Tongrentang Co., Ltd., Beijing, 100011, China.
Beijing Zhongyan Tongrentang Pharmaceutical R & D Co., Ltd., National Engineering Research Center for R&D of TCM Multi-Ingredient Drugs, Beijing, 100079, China.
Sci Rep. 2024 Apr 27;14(1):9679. doi: 10.1038/s41598-024-60415-w.
Citri Reticulatae Pericarpium is a traditional Chinese medicine with extremely high health benefits as well as clinical value. In vivo and in vitro tests have proved that its main active secondary metabolites are flavonoids. However, they have not been comprehensively analyzed up to now mainly due to lack of suitable analysis method. To solve this problem, a novel strategy based on precursor ions locked and targeted MS/MS analysis was proposed. Firstly, the database of the flavonoids previously isolated from Citri Reticulatae Pericarpium was established to obtain the characteristics of their precursor ions. Secondly, after performing the full MS scan of the extract, all compounds in the total ion chromatogram were extracted by Compound Discoverer software. Thirdly, the precursor ions of the flavonoids were locked from the extracted compounds according to their characteristics, forming a precursor ions list. Finally, the precursor ions in the constructed list were performed targeted MS/MS analysis for structures characterization. As a result, total 187 flavonoids were successfully identified, and except for flavones, flavonols as well as dihydroflavones, some chalcones were also characterized from Citri Reticulatae Pericarpium for the first time.
陈皮是一种具有极高保健功效和临床价值的传统中药。体内和体外试验证明，其主要活性次生代谢产物为黄酮类化合物。然而，由于缺乏合适的分析方法，目前尚未对其进行全面分析。为解决这一问题，提出了一种基于前体离子锁定和靶向MS/MS分析的新策略。首先，建立了先前从陈皮中分离出的黄酮类化合物数据库，以获得其前体离子的特征。其次，对提取物进行全扫描质谱分析后，通过Compound Discoverer软件提取总离子色谱图中的所有化合物。第三，根据黄酮类化合物的特征，从提取的化合物中锁定其前体离子，形成前体离子列表。最后，对构建列表中的前体离子进行靶向MS/MS分析以进行结构表征。结果，共成功鉴定出187种黄酮类化合物，除黄酮、黄酮醇和二氢黄酮外，还首次从陈皮中鉴定出一些查耳酮。
