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题名: Stereochemical differentiation of C-7 hydroxyltaxane isomers by electrospray ionization mass spectrometry
作者: Ge, Guang-Bo1, 2;  Zhang, Rong3;  Ai, Chun-Zhi1, 2;  He, Yu-Qi4;  Zhang, Yan-Yan1, 2;  Liu, Xing-Bao1;  Yang, Li4;  Wang, Zheng-Tao4;  Yang, Ling1
通讯作者: 杨凌
刊名: RAPID COMMUNICATIONS IN MASS SPECTROMETRY
发表日期: 2009-02-01
DOI: 10.1002/rcm.3892
卷: 23, 期:3, 页:425-432
收录类别: SCI
文章类型: Article
部门归属: 18
项目归属: 1806
产权排名: 1;1
WOS标题词: Science & Technology ;  Life Sciences & Biomedicine ;  Physical Sciences ;  Technology
类目[WOS]: Biochemical Research Methods ;  Chemistry, Analytical ;  Spectroscopy
研究领域[WOS]: Biochemistry & Molecular Biology ;  Chemistry ;  Spectroscopy
英文摘要: In this study, different electrospray ionization mass spectrometric (ESI-MS) methods were utilized to analyze several pairs of taxane stereoisomers including paclitaxel and 7-epi-paclitaxel. Both ESI-MS and tandem mass spectrometry (MS/MS) techniques provided stereochemically dependent mass spectra in negative-ion mode, and all studied stereoisomers could be easily distinguished based on their characteristic ions or distinct fragmentation patterns. MS/MS experiments for several taxane analogues at various collision energies were performed to elucidate potential dissociation pathways. The gas-phase deprotonation potentials were also calculated to estimate the most thermodynamically favorable deprotonation site using DFT B3LYP/6-31G(d). The results of the theoretical studies agreed well with the fragmentation patterns of paclitaxel and 7-epi-paclitaxel observed from MS/MS experiments. In addition, it was found that liquid chromatography (LC)/ESI-MS was a useful and sensitive technique for assignment of C-7 taxane stereoisomers from realistic samples. Copyright (C) 2009 John Wiley & Sons, Ltd.
关键词[WOS]: DENSITY-FUNCTIONAL THEORY ;  ANALYZER HYBRID SYSTEM ;  HUMAN PLASMA ;  MOLECULAR-STRUCTURE ;  TRIPLE QUADRUPOLE ;  PACLITAXEL TAXOL ;  DOG PLASMA ;  GAS-PHASE ;  METABOLITES ;  QUANTIFICATION
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000262905800011
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/101519
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, Lab Pharmaceut Resource Discovery, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Grad Univ, Beijing, Peoples R China
3.Dalian Univ Technol, State Key Lab Fine Chem, Dalian, Peoples R China
4.Shanghai Univ Tradit Chinese Med, Inst Chinese Mat Med, Shanghai, Peoples R China

Recommended Citation:
Ge, Guang-Bo,Zhang, Rong,Ai, Chun-Zhi,et al. Stereochemical differentiation of C-7 hydroxyltaxane isomers by electrospray ionization mass spectrometry[J]. RAPID COMMUNICATIONS IN MASS SPECTROMETRY,2009,23(3):425-432.
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