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Nuclear magnetic resonance and liquid chromatography-mass spectrometry combined with an incompleted separation strategy for identifying the natural products in crude extract

文献类型：期刊论文

作者Dai, Dongmei1,2; He, Jiuming1,2; Sun, Ruixiang3; Zhang, Ruiping1,2; Aisa, Haji Akber4; Abliz, Zeper1,2
刊名ANALYTICA CHIMICA ACTA
出版日期2009-01-26
卷号632期号:2页码:221-228
关键词Nuclear magnetic resonance/liquid chromatography-mass spectrometry parallel dynamic spectroscopy Incompleted separation strategy Off-line analytical method Natural products Crude extract
ISSN号0003-2670
DOI10.1016/j.aca.2008.11.002
英文摘要NMR and LC-MS combined with an incompleted separation strategy were proposed to the simultaneous structure identification of natural products in crude extracts, and a novel method termed as NMR/LC-MS parallel dynamic spectroscopy (NMR/LC-MS PDS) was developed to discover the intrinsic correlation between retention time (Rt), mass/charge (m/z) and chemical shift (delta) data of the same constituent from mixture spectra by the co-analysis of parallelly visualized multispectroscopic datasets from LC-MS and (1)H NMR. The extracted ion chromatogram (XIC) and (1)H NMR signals deriving from the same individual constituent were correlated through fraction ranges and intensity changing profiles in NMR/LC-MS PDS spectrum due to the signal amplitude co-variation resulted from the concentration variation of constituents in a series of incompletely separated fractions. NMR/LC-MS PDS was applied to identify 12 constituents in an active herbal extract including flavonol glycosides, which was separated into a series of fractions by flash column chromatography. The complementary spectral information of the same individual constituent in the crude extract was discovered simultaneously from mixture spectra. Especially, two groups of co-eluted isomers were identified successfully. The results demonstrated that NMR/LC-MS PDS combined with the incompleted separation strategy achieved the similar function of on-line LC-NMR-MS analysis in off-line mode and had the potential for simplifying and accelerating the analytical routes for structure identification of constituents in herbs or their active extracts. (C) 2008 Elsevier B.V. All rights reserved.
资助项目National Natural Scientific Foundation of China[20475064] ; National Natural Scientific Foundation of China[20775091]
WOS研究方向Chemistry
语种英语
WOS记录号WOS:000262683800008
出版者ELSEVIER SCIENCE BV
源URL[http://119.78.100.204/handle/2XEOYT63/11713]  
专题中国科学院计算技术研究所期刊论文_英文
通讯作者Abliz, Zeper
作者单位1.Chinese Acad Med Sci, Inst Mat Med, Minist Educ, Key Lab Bioact Subst & Resource Utilizat Chinese, Beijing 100050, Peoples R China
2.Peking Union Med Coll, Beijing 100050, Peoples R China
3.Chinese Acad Sci, Inst Comp Technol, Beijing 100080, Peoples R China
4.Chinese Acad Sci, Xinjiang Technol Inst Phys & Chem, Urumqi 830011, Peoples R China
推荐引用方式
GB/T 7714		 Dai, Dongmei,He, Jiuming,Sun, Ruixiang,et al. Nuclear magnetic resonance and liquid chromatography-mass spectrometry combined with an incompleted separation strategy for identifying the natural products in crude extract[J]. ANALYTICA CHIMICA ACTA,2009,632(2):221-228.
APA Dai, Dongmei,He, Jiuming,Sun, Ruixiang,Zhang, Ruiping,Aisa, Haji Akber,&Abliz, Zeper.(2009).Nuclear magnetic resonance and liquid chromatography-mass spectrometry combined with an incompleted separation strategy for identifying the natural products in crude extract.ANALYTICA CHIMICA ACTA,632(2),221-228.
MLA Dai, Dongmei,et al."Nuclear magnetic resonance and liquid chromatography-mass spectrometry combined with an incompleted separation strategy for identifying the natural products in crude extract".ANALYTICA CHIMICA ACTA 632.2(2009):221-228.

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来源：计算技术研究所

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