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

doi:10.1016/j.aca.2008.11.002

	Nuclear magnetic resonance and liquid chromatography-mass spectrometry combined with an incompleted separation strategy for identifying the natural products in crude extract
	Dai, Dongmei 1,2; He, Jiuming 1,2; Sun, Ruixiang 3; Zhang, Ruiping 1,2; Aisa, Haji Akber 4; Abliz, Zeper 1,2
	2009-01-26
发表期刊	ANALYTICA CHIMICA ACTA
ISSN	0003-2670
卷号	632 期号:2 页码:221-228
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.
关键词	Nuclear magnetic resonance/liquid chromatography-mass spectrometry parallel dynamic spectroscopy Incompleted separation strategy Off-line analytical method Natural products Crude extract
DOI	10.1016/j.aca.2008.11.002
收录类别	SCI
语种	英语
资助项目	National Natural Scientific Foundation of China[20475064] ; National Natural Scientific Foundation of China[20775091]
WOS研究方向	Chemistry
WOS类目	Chemistry, Analytical
WOS记录号	WOS:000262683800008
出版者	ELSEVIER SCIENCE BV
引用统计	被引频次：25[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://119.78.100.204/handle/2XEOYT63/11714
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.