Systematic screening and structural characterization of dipeptides using offline 2D LC-LTQ-Orbitrap MS:A case study of Cordyceps sinensis  

作　　者：Xiaodie Li Changliang Yao Yun Li Zhengming Qian c Wenlong Wei Jianqing Zhang Jiayuan Li Qirui Bi Wenjia Li Yajun Cui De-an Guo 

机构地区：[1]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 [2]Shanghai University of Traditional Chinese Medicine,Shanghai,201203,China [3]Key Laboratory of State Administration of Traditional Chinese Medicine,Sunshine Lake Pharma Co.,Ltd,Dongguan,Guangdong,523850,China

出　　处：《Journal of Pharmaceutical Analysis》2022年第2期263-269,共7页药物分析学报（英文版）

基　　金：supported by the National Key R&D Program of China(Grant Nos.:2018YFC1707900,2019YFC1711000,and 2019YFC1711400);Key-Area Research and Development Program of Guangdong Province(Grant No.:2020B1111110007);the National Natural Science Foundation of China(Grant No.:82003938);Chief Scientist of Qi-Huang Project of National Traditional Chinese Medicine Inheritance and Innovation“One Hundred Million”Talent Project(2020).

摘　　要：Cordyceps sinensis(C.sinensis)is a widely used and highly valuable traditional Chinese medicine.Several dipeptides have been detected in C.sinensis,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 C.sinensis.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 m/z 69.07.Ultimately,170 dipeptides were identified or tentatively characterized from C.sinensis,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 Cordyceps species,and 11 markers were identified.The obtained results provide a deeper understanding of the chemical basis of C.sinensis.

关 键 词：DIPEPTIDES Cordyceps sinensis Two-dimensional liquid chromatography Identification ISOLEUCINE 

分 类 号：R284[医药卫生—中药学]