Neutral Loss Ion Mapping Experiment Combined with Precursor Mass List and Dynamic Exclusion for Screening Unstable Malonyl Glucoside Conjugates

doi:10.1007/s13361-015-1240-9

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	Neutral Loss Ion Mapping Experiment Combined with Precursor Mass List and Dynamic Exclusion for Screening Unstable Malonyl Glucoside Conjugates
	Yang, Min 2; Zhou, Zhe 1; Yao, Shuai 2; Li, Shangrong 2; Yang, Wenzhi 2; Jiang, Baohong2 ; Liu, Xuan 2; Wu, Wanying2 ; Qv, Hua 2; Guo, De-an2
刊名	JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
	2016-01
卷号	27 期号:1 页码:99-107
关键词	Malonate Ion mapping experiment Precursor mass list Dynamic exclusion Puerarin lobata Orbitrap High resolution multi-stage mass spectrometry
ISSN号	1044-0305
DOI	10.1007/s13361-015-1240-9
文献子类	Article
英文摘要	Malonates are one type of the acylation conjugates and found abundantly in ginseng and soybean. Malonyl conjugates of ginsenosides and isoflavone glycosides were often considered as the characteristic components to evaluate various species and different forms of ginseng and soybean products because of their thermal instability. Another famous isoflavonoid-rich leguminous traditional Chinese medicine (TCM), named Puerarin lobata (Gegen), has also been reported to contain malonyl daidzin and malonyl genistin. However, the conjugates were found to present in very low amount and particularly unstable in the negative ion mode scan using LTQ Orbitrap mass spectrometry with electrospray ionization (ESI). In order to screen and characterize the malonyl conjugates in Gegen, a specific method was designed and developed combining neutral loss ion mapping (NLIM) experiment and precursor mass list (PL) triggered data dependent acquisition (DDA). Along with the activation of dynamic exclusion (DE), the method was proven to be specific and efficient for searching the malonate derivatives from Gegen. Two samples were examined by the established method. A total of 66 compounds were found, and 43 of them were malonates of isoflavone glycoside. Very few compounds were reported previously in Gegen. The results are helpful to understand the constituents of Gegen with more insight. The study not only provided a method for analyzing the malonyl conjugates from complex matrices but also explored a way to trace other low amount components in TCMs.
资助项目	National Natural Science Foundation of China[81373965] ; National Natural Science Foundation of China[81001630] ; Major Project of Knowledge Innovation Program of the Chinese Academy of Sciences[KSCX2-YW-R-166] ; 12th Five-Year National Science and Technology Support Program[2012BAI29B06] ; National Science and Technology Major Project "Key New Drug Creation and Manufacturing program" of the People's Republic of China[2011ZX09307-002-03]
WOS关键词	KUDZU PUERARIA-LOBATA ; HOLISTIC QUALITY ; PANAX-GINSENG ; SOYBEAN CAKE ; RED-CLOVER ; ISOFLAVONES ; SPECTROMETRY ; ROOTS ; IDENTIFICATION ; METABOLISM
WOS研究方向	Biochemistry & Molecular Biology ; Chemistry ; Spectroscopy
语种	英语
出版者	SPRINGER
WOS记录号	WOS:000367014900011
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/276275]
专题	上海中药现代化研究中心
通讯作者	Guo, De-an
作者单位	1.ThermoFisher Sci China Co Ltd, Shanghai 201206, Peoples R China 2.Chinese Acad Sci, Shanghai Inst Mat Med, Natl Engn Lab TCM Standardizat Technol, Shanghai 201203, Peoples R China;
推荐引用方式 GB/T 7714	Yang, Min,Zhou, Zhe,Yao, Shuai,et al. Neutral Loss Ion Mapping Experiment Combined with Precursor Mass List and Dynamic Exclusion for Screening Unstable Malonyl Glucoside Conjugates[J]. JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY,2016,27(1):99-107.
APA	Yang, Min.,Zhou, Zhe.,Yao, Shuai.,Li, Shangrong.,Yang, Wenzhi.,...&Guo, De-an.(2016).Neutral Loss Ion Mapping Experiment Combined with Precursor Mass List and Dynamic Exclusion for Screening Unstable Malonyl Glucoside Conjugates.JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY,27(1),99-107.
MLA	Yang, Min,et al."Neutral Loss Ion Mapping Experiment Combined with Precursor Mass List and Dynamic Exclusion for Screening Unstable Malonyl Glucoside Conjugates".JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY 27.1(2016):99-107.