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二肽衍生物的电喷雾质谱研究
引用本文:罗再刚a,曾程初a,杨道山a,黄雅理a,王芳b,杜红光b,胡利明a.二肽衍生物的电喷雾质谱研究[J].中国化学,2009,27(7):1333-1338.
作者姓名:罗再刚a  曾程初a  杨道山a  黄雅理a  王芳b  杜红光b  胡利明a
作者单位:a 北京工业大学生命科学与生物工程学院 ; b北京化工大学理学院 ;
摘    要:基于HIV整合酶核心结构域,合成了以HIV整合酶为靶标的二肽衍生物,采用多级质谱技术(二级、三级)研究二肽衍生物在质谱条件下的化学键断裂途径,发现主要的断裂方式为:氨基与羰基间的NH-CO键的断裂以及N-(苯并噻唑-2-基)甲酰氨基与亚甲基间的CO-C间的断裂。

关 键 词:dipeptide  derivative    electrospray  ionization  mass  spectrometry  (ESI-MS)    fragmentation  pathway
收稿时间:2008-11-14
修稿时间:2009-1-8

Electrospray Ionization Mass Spectra of Dipeptide Derivatives
Zaigang LUO,Chengchu ZENG,Daoshan YANG,Yali HUANG,Fang WANG,Hongguang DU,Liming HU.Electrospray Ionization Mass Spectra of Dipeptide Derivatives[J].Chinese Journal of Chemistry,2009,27(7):1333-1338.
Authors:Zaigang LUO  Chengchu ZENG  Daoshan YANG  Yali HUANG  Fang WANG  Hongguang DU  Liming HU
Institution:1. College of Life Science and Bioengineering, Beijing University of Technology, Beijing 100124, China;2. Tel.: 0086‐010‐67396211;3. Fax: 0086‐010‐67392001
Abstract:Based on the structure of the HIV integrase core domain, dipeptide derivatives, as a type of HIV integrase inhibitor, were synthesized, and their fragmentation pathways were investigated by electrospray ionization mass spectrometry (ESI‐MSn) in conjunction with tandem mass spectrometry (MS/MS). In order to better understand the fragmentation pathways, the MS2 and MS3 spectra of the title compound were obtained. The main fragmentation pathways occur by the cleavage of the C–CO bonds between N‐(benzothiazol‐2‐yl)aminocarbonyl and methylene, NH–CO bonds between the NH groups and carbonyl groups. Electrospray ionization was proven to be a good method for the structural characterization and identification of this kind of compound.
Keywords:dipeptide derivative  electrospray ionization mass spectrometry (ESI‐MS)  fragmentation pathway
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