质谱差谱方法及其在中药复方研究中的应用  

Difference Analysis of Mass Spectra and Its Application to Research of Chinese Multiherb Remedy

作　　者：冉小蓉[1] 杨辉华[1] 梁琼麟[1] 陈君[1] 王义明[1] 罗国安[1] 李平[2] 李克明[2] 陈玉武[2] 

机构地区：[1]清华大学化学系,北京100084 [2]中日友好医院临床医学研究所,北京100029

出　　处：《高等学校化学学报》2007年第2期250-253,共4页Chemical Journal of Chinese Universities

基　　金：国家'九七三'计划项目中医理论专项(批准号:2005CB523503);科技部'十五'攻关项目(批准号:2004BA721A13);国家'九七三'计划项目(批准号:2001CB510305);清华基础研究基金(批准号:JCqn2005038)资助

摘　　要：采用HPLC-ESI-MSn分析得到了复方合煎液中有效部分提取物的指纹图谱数据,通过比对找出对复方指纹谱有贡献的有效成分峰.再用质谱差谱方法处理多级质谱数据,提取不同类型的中性丢失,实现了对复方有效成分化合物的快速分类鉴定.用该法研究了复方柴苓汤有效部分黄芩总黄酮和柴胡总皂苷.The constituents in effective groups of Chinese multiherb remedy possess the similar chemical and structural characters, and the same neutral loss under collisional induced dissociation （CID）. Based on this, the fingerprints of the multiherb remedy and the effective extracts were established by using HPLC-ESI-MS^n in this paper, the information of retention time, molecular weights and the fragment information was compared to confirm the attribution of effective constituents to the peaks in the fingerprint of Chinese multiherb remedy, then, the difference analysis of mass spectra was employed to deal with the fragment data for rapidly identifying the effective constituents according to the neutral loss. Taking Chinese multiherb remedy Chailin-tang for example, its effective fractions flavonoids in Radix Scutellariae and Saikosaponins in Radix bupleuriand were studied.

关 键 词：质谱差谱方法 液相色谱-质谱 中药复方 有效部分 柴苓汤 

分 类 号：O65[理学—分析化学]