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学科主题: 药学
题名:
Collision-induced dissociation of 40 flavonoid aglycones and differentiation of the common flavonoid subtypes using electrospray ionization ion-trap tandem mass spectrometry and quadrupole time-of-flight mass spectrometry
作者: Yang, Wen-Zhi1; Ye, Min1; Qiao, Xue1; Wang, Qing1; Bo, Tao2; Guo, De-An1
关键词: flavonoid aglycone ; collision-induced dissociation ; differentiation ; electrospray ionization tandem mass spectrometry
刊名: EUROPEAN JOURNAL OF MASS SPECTROMETRY
发表日期: 2012
DOI: 10.1255/ejms.1206
卷: 18, 期:6, 页:493-503
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology
类目[WOS]: Physics, Atomic, Molecular & Chemical ; Spectroscopy
研究领域[WOS]: Physics ; Spectroscopy
关键词[WOS]: STRUCTURAL-CHARACTERIZATION ; LIQUID-CHROMATOGRAPHY ; FRAGMENTATION ; ISOFLAVONES ; SEPARATION ; EXTRACTION ; MSN
英文摘要:

Much Literature is available with respect to the collision-induced dissociation (CID) of different subtypes of flavonoid aglycones. However, a simultaneous comparison study of the common flavonoid subtypes under unified conditions is rarely reported, which is of crucial significance for their rapid structural elucidation. This study depicted the negative CID of 40 free flavonoids (comprising nine different subtypes) utilizing electrospray ionization ion-trap tandem mass spectrometry (ESI-IT-MSn). High-accuracy quadrupole time-of-flight mass spectrometry was employed to confirm the chemical formula of proposed key fragments. Specific fragmentation features were discovered among different flavonoid subtypes in terms of the essential collision energy, base peak, RDA fragmentation, and diversity of fragmentation pathways: CID of flavanones, chalcones and flavanonols was in need of lower levels of collision energy (<40%) and exhibited simplified fragmentation pathways; overriding neutral loss of CO2 was detected for flavones, aurones and xanthones, while isoflavones preferred neutral loss of CO; (1,2)A(-) and (1,3)A(-) fragments were respectively dominant for flavonols and flavanones/chalcones, while homoisoflavones underwent specific radical elimination of ring B or methylene-ring B. These differentiated fragmentation characteristics integrating UV absorption resulted in the establishment of a decision tree to characterize and distinguish the common flavonoid subtypes. This study firstly revealed remarkable differentiations in the negative CID behavior of nine common flavonoid aglycone subtypes and the proposed determination strategy would much benefit the screening and rapid characterization of flavonoids from complicated matrixes by tandem mass spectrometry.

语种: 英语
所属项目编号: 985-2-119-121
项目资助者: 985 Project of Peking University Health Science Center
WOS记录号: WOS:000315745600003
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.bjmu.edu.cn/handle/400002259/50645
Appears in Collections:北京大学药学院_期刊论文

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作者单位: 1.Peking Univ, Sch Pharmaceut Sci, State Key Lab Nat & Biomimet Drugs, Beijing 100191, Peoples R China
2.Agilent Technol, Beijing 100102, Peoples R China

Recommended Citation:
Yang, Wen-Zhi,Ye, Min,Qiao, Xue,et al. Collision-induced dissociation of 40 flavonoid aglycones and differentiation of the common flavonoid subtypes using electrospray ionization ion-trap tandem mass spectrometry and quadrupole time-of-flight mass spectrometry[J]. EUROPEAN JOURNAL OF MASS SPECTROMETRY,2012,18(6):493-503.
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