Li Xiaodie, Yao Changliang, Li Yun, Qian Zhengming, Wei Wenlong, Zhang Jianqing, Li Jiayuan, Bi Qirui, Li Wenjia, Cui Yajun, Guo De-An
Shanghai Research Center for Modernization of Traditional Chinese Medicine, National Engineering Laboratory for Traditional Chinese Medicine Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, 201203, China.
Shanghai University of Traditional Chinese Medicine, Shanghai, 201203, China.
J Pharm Anal. 2022 Apr;12(2):263-269. doi: 10.1016/j.jpha.2021.07.007. Epub 2021 Jul 21.
() is a widely used and highly valuable traditional Chinese medicine. Several dipeptides have been detected in , but current scientific knowledge of its chemical makeup remains limited. In this study, an improved approach that integrates offline two-dimensional liquid chromatography (2D LC) separation, precursor ion list, library screening, and diagnostic ion filtering was established to systematically screen and characterize dipeptides in . Offline 2D LC integrating hydrophilic interaction LC and reverse phase separations was established to eliminate interference and identify the target dipeptides. A library containing the potential 400 dipeptides was created, and a precursor ion list with all theoretical precursor ions was adopted to trigger the MS/MS scan with high sensitivity. To identify dipeptides, the type and connection sequence of amino acids were determined according to the product ions. Ile and Leu residues were differentiated for the first time according to the characteristic ion at 69.07. Ultimately, 170 dipeptides were identified or tentatively characterized from , and most are reported for the first time in this species herein. In addition, the identified dipeptides were also applied for discrimination among the three species, and 11 markers were identified. The obtained results provide a deeper understanding of the chemical basis of
（）是一种广泛使用且极具价值的中药。在（）中已检测到几种二肽，但目前关于其化学组成的科学知识仍然有限。在本研究中，建立了一种改进的方法，该方法整合了离线二维液相色谱（2D LC）分离、前体离子列表、库筛选和诊断离子过滤，以系统地筛选和表征（）中的二肽。建立了结合亲水相互作用液相色谱和反相分离的离线2D LC，以消除干扰并鉴定目标二肽。创建了一个包含400种潜在二肽的库，并采用包含所有理论前体离子的前体离子列表以高灵敏度触发MS/MS扫描。为了鉴定二肽，根据产物离子确定氨基酸的类型和连接顺序。首次根据69.07处的特征离子区分异亮氨酸和亮氨酸残基。最终，从（）中鉴定或初步表征了170种二肽，其中大多数在此物种中是首次报道。此外，所鉴定的二肽还用于区分三种（）物种，并鉴定出11个标记物。所获得的结果为（）的化学基础提供了更深入的理解
