Elucidation of the fragmentation pathways of a complex 3,7-O-glycosyl flavonol by CID, HCD, and PQD on an LTQ-Orbitrap Velos Pro hybrid mass spectrometer

doi:10.1016/S1875-5364(15)30091-1

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	Elucidation of the fragmentation pathways of a complex 3,7-O-glycosyl flavonol by CID, HCD, and PQD on an LTQ-Orbitrap Velos Pro hybrid mass spectrometer
	Yang, Wen-Zhi; Wu, Wan-Ying; Yang, Min; Guo, De-An
刊名	Chinese journal of natural medicines
	2015-11
卷号	13 期号:11 页码:867-872
ISSN号	1875-5364
DOI	10.1016/S1875-5364(15)30091-1
文献子类	Article
英文摘要	The present study was designed to systematically investigate the ESI-MS(n) behavior of a complex 3, 7-O-glycosyl flavonol, kaempferol 3-O-α-L-[2,3-di-O-β-D-(6-E-p-coumaroyl)glucopyranosyl]-rhamnopyranosyl-7-O-α-L-rhamnopyranoside (KO) isolated from Epimedium wushanense, and to address the elimination priority among different glycosylation sites and different sugars/substituents. The direct-infusion ESI-MS(n) experiment of KO was performed on a hybrid LTQ-Orbitrap Velos Pro mass spectrometer in both negative and positive ion modes by three different fragmentation mechanisms (CID, HCD, and PQD). The CID, HCD, and PQD analyses of KO exhibited remarkable discrimination in respect of the scan range, richness, and distribution of product ions through the entire spectra. KO experienced different fragmentation pathways between two ionization modes: the negative mode CID of KO eliminated the glycosyl portions (priority: 7-sugar > 3-substituent and terminal substituents > inner sugar) and produced aglycone product ions at m/z 284.03/285.04; however, abundant sodium-adduct B(3)2 together with subsequent (i,j)X(3)0 cleavages were found characteristic for the positive mode CID-MS(n). The fragmentation pathways by CID for KO were proposed by analyzing the high accuracy ESI-MS(n) data. Complementary structural information of KO regarding the aglycone and glycosyl portions was obtained by analyzing the ESI-MS(n) data in both ionization modes. In conclusion, the LTQ-Orbitrap method facilitates highly reliable qualitative analysis of bioactive flavonoids with three alternative fragmentation modes.
语种	英语
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/266249]
专题	上海中药现代化研究中心
通讯作者	Wu, Wan-Ying
作者单位	Shanghai Research Center for Modernization of Traditional Chinese Medicine, National Engineering Laboratory for TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China
推荐引用方式 GB/T 7714	Yang, Wen-Zhi,Wu, Wan-Ying,Yang, Min,et al. Elucidation of the fragmentation pathways of a complex 3,7-O-glycosyl flavonol by CID, HCD, and PQD on an LTQ-Orbitrap Velos Pro hybrid mass spectrometer[J]. Chinese journal of natural medicines,2015,13(11):867-872.
APA	Yang, Wen-Zhi,Wu, Wan-Ying,Yang, Min,&Guo, De-An.(2015).Elucidation of the fragmentation pathways of a complex 3,7-O-glycosyl flavonol by CID, HCD, and PQD on an LTQ-Orbitrap Velos Pro hybrid mass spectrometer.Chinese journal of natural medicines,13(11),867-872.
MLA	Yang, Wen-Zhi,et al."Elucidation of the fragmentation pathways of a complex 3,7-O-glycosyl flavonol by CID, HCD, and PQD on an LTQ-Orbitrap Velos Pro hybrid mass spectrometer".Chinese journal of natural medicines 13.11(2015):867-872.