Offline two-dimensional liquid chromatography coupled with ion mobility-quadrupole time-of-flight mass spectrometry enabling fourdimensional separation and characterization of the multicomponents from white ginseng and red ginseng  

作　　者：Tiantian Zuo Chunxia Zhang Weiwei Li Hongda Wang Ying Hu Wenzhi Yang Li Jia Xiaoyan Wang Xiumei Gao Dean Guo 

机构地区：[1]Tianjin State Key Laboratory of Modern Chinese Medicine,Tianjin University of Traditional Chinese Medicine,312 Anshanxi Road,Tianjin,300193,China [2]Tianjin Key Laboratory of TCM Chemistry and Analysis,Tianjin University of Traditional Chinese Medicine,312 Anshanxi Road,Tianjin,300193,China [3]Shanghai Research Center for Modernization of Traditional Chinese Medicine,National Engineering Laboratory for TCM Standardization Technology,Shanghai Institute of Materia Medica,Chinese Academy of Sciences,501 Haike Road,Shanghai,201203,China

出　　处：《Journal of Pharmaceutical Analysis》2020年第6期597-609,共13页药物分析学报（英文版）

基　　金：the National Natural Science Foundation of China(Grant No.81872996);the State Key Research and Development Project(Grant No.2017YFC1702104);the State Key Project for the Creation of Major New Drugs(2018ZX09711001-009-010);the Tianjin Municipal Education Commission Research Project(Grant No.2017ZD07)。

摘　　要：Inherent complexity of plant metabolites necessitates the use of multi-dimensional information to accomplish comprehensive profiling and confirmative identification.A dimension-enhanced strategy,by offline two-dimensional liquid chromatography/ion mobility-quadrupole time-of-flight mass spectrometry(2 D-LC/IM-QTOF-MS)enabling four-dimensional separations(2 D-LC,IM,and MS),is proposed.In combination with in-house database-driven automated peak annotation,this strategy was utilized to characterize ginsenosides simultaneously from white ginseng(WG)and red ginseng(RG).An offline 2 DLC system configuring an Xbridge Amide column and an HSS T3 column showed orthogonality 0.76 in the resolution of ginsenosides.Ginsenoside analysis was performed by data-independent high-definition MSE(HDMSE)in the negative ESI mode on a Vion?IMS-QTOF hybrid high-resolution mass spectrometer,which could better resolve ginsenosides than MSEand directly give the CCS information.An in-house ginsenoside database recording 504 known ginsenosides and 58 reference compounds,was established to assist the identification of ginsenosides.Streamlined workflows,by applying UNIFI?to automatedly annotate the HDMSEdata,were proposed.We could separate and characterize 323 ginsenosides(including 286 from WG and 306 from RG),and 125 thereof may have not been isolated from the Panax genus.The established 2 D-LC/IM-QTOF-HDMSEapproach could also act as a magnifier to probe differentiated components between WG and RG.Compared with conventional approaches,this dimensionenhanced strategy could better resolve coeluting herbal components and more efficiently,more reliably identify the multicomponents,which,we believe,offers more possibilities for the systematic exposure and confirmative identification of plant metabolites.

关 键 词：Dimension-enhanced strategy Multicomponent characterization GINSENOSIDE Offline two-dimensional liquid chromatography Ion mobility-quadrupole time-of-flight mass spectrometry In-house database 

分 类 号：R284.1[医药卫生—中药学] O657.63[医药卫生—中医学]