Simultaneous Structural Identification of Constituents in Active Herbal Extract of Gossypium Herbaceam Using Nuclear Magnetic Resonance/Liquid Chromatography-Mass Spectrometry Hetero-Correlation Spectroscopy

doi:10.3724/S13.J.1096.2011.00781

	Simultaneous Structural Identification of Constituents in Active Herbal Extract of Gossypium Herbaceam Using Nuclear Magnetic Resonance/Liquid Chromatography-Mass Spectrometry Hetero-Correlation Spectroscopy
	Dai Dong-Mei 1,2,3; He Jiu-Ming 1,2; Liu Chao 4; Sun Rui-Xiang 4; Zhang Rui-Ping 1,2; Aisa, Haji Akber 5; Abliz, Zeper 1,2
	2011-06-01
发表期刊	CHINESE JOURNAL OF ANALYTICAL CHEMISTRY
ISSN	0253-3820
卷号	39 期号:6 页码:781-787
摘要	To simplify and accelerate the analytical routes for structure identification of constituents in complex mixture, based on an incomplete separation strategy, MS/NMR hetero-correlation spectroscopy (MS/NMR-HCS) was developed as a new analytical method to discover the intrinsic correlation between LC-MS and NMR data of the same constituent from mixture spectra. The ethanol crude extract of the petals of Gossypium herbaceam was separated into a series of fractions with the concentration of constituent dynamic variation by flash column chromatography. NMR/LC-MS HCS method was applied to identify the flavonol glycosides in these fractions. The complementary spectral information of the same individual constituent in the crude extract was simultaneously obtained from the spectra of mixtures, including retention time (R(t)), ass/charge (m/z) and chemical shift (delta). And combined the LC-MS/MS and 2D NMR analysis, twelve constituents including two groups of co-eluted isomers were identified successfully. The results demonstrated that NMR/LC-MS HCS combined with the incompleted separation strategy could achieve the similar function of on-line LC-MS-NMR in an off-line mode by such a "mathematics hyphenated approach". The new analytical strategy has the potential advantages for simplifying and accelerating the analytical routes for structure identification of constituents in complex mixture. Especially, this method is suitable for analysis and identification of minimum-quantity constituents and constituents with similar polarity which are hardly obtained in routine experimental conditions.
关键词	Nuclear magnetic resonance/liquid chromatography-mass spectrometry hetero-correlation spectroscopy Incomplete separation strategy Simultaneous structural identification in mixture Gossypium herbaceam Flavonol glycosides
DOI	10.3724/S13.J.1096.2011.00781
收录类别	SCI
语种	英语
WOS研究方向	Chemistry
WOS类目	Chemistry, Analytical
WOS记录号	WOS:000294099400002
出版者	ELSEVIER SCIENCE INC
引用统计	被引频次：1[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/2XEOYT63/12916
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, Key Lab Bioact Subst & Resource Utilizat Chinese, Minist Educ, Beijing 100050, Peoples R China 2.Peking Union Med Coll, Beijing 100050, Peoples R China 3.Zhejiang Univ, Key Lab Mol Design & Nutr Engn, Ningbo Inst Technol, Ningbo 315104, Zhejiang, Peoples R China 4.Chinese Acad Sci, Inst Comp Technol, Beijing 100080, Peoples R China 5.Chinese Acad Sci, Xinjiang Technol Inst Phys & Chem, Urumqi 830011, Peoples R China
推荐引用方式 GB/T 7714	Dai Dong-Mei,He Jiu-Ming,Liu Chao,et al. Simultaneous Structural Identification of Constituents in Active Herbal Extract of Gossypium Herbaceam Using Nuclear Magnetic Resonance/Liquid Chromatography-Mass Spectrometry Hetero-Correlation Spectroscopy[J]. CHINESE JOURNAL OF ANALYTICAL CHEMISTRY,2011,39(6):781-787.
APA	Dai Dong-Mei.,He Jiu-Ming.,Liu Chao.,Sun Rui-Xiang.,Zhang Rui-Ping.,...&Abliz, Zeper.(2011).Simultaneous Structural Identification of Constituents in Active Herbal Extract of Gossypium Herbaceam Using Nuclear Magnetic Resonance/Liquid Chromatography-Mass Spectrometry Hetero-Correlation Spectroscopy.CHINESE JOURNAL OF ANALYTICAL CHEMISTRY,39(6),781-787.
MLA	Dai Dong-Mei,et al."Simultaneous Structural Identification of Constituents in Active Herbal Extract of Gossypium Herbaceam Using Nuclear Magnetic Resonance/Liquid Chromatography-Mass Spectrometry Hetero-Correlation Spectroscopy".CHINESE JOURNAL OF ANALYTICAL CHEMISTRY 39.6(2011):781-787.