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A study of isomeric diglycosyl flavonoids by SORI CID of fourier transform ion cyclotron mass spectrometry in negative ion mode |
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| Authors: | Cunyu Yan Shuying Liu Yihan Zhou Fengrui Song Meng Cui Zhiqiang Liu |
| Institution: | aChangchun Center of Mass Spectrometry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, People’s Republic of China bGraduate School of Chinese Academy of Sciences, Beijing, People’s Republic of China cInstitute of Theoretical Chemistry, State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun, People’s Republic of China |
| Abstract: | High-resolution Sustained off resonance irradiation (SORI) CID was employed to distinguish four pairs of isomeric diglycosyl flavonoids in the negative mode using the electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FTICR MS). All of these isomers can be distinguished via MS/MS data. For these diglycosyl flavones and flavanones, the deprotonated alpha1-->6 linkage diglycosyl flavonoids produce fewer fragments than the alpha1-->2 linkage type compounds and the Retro-Diels-Alder (RDA) reaction in MS/MS only takes place when the aglycone is a flavanone and glycosylated with an alpha1-->2 intersaccharide linkage disaccharide. The deprotonation sites after collisional activation are discussed according to the high mass accuracy and high-resolution data of tandem spectrometry. Some of these high-resolution SORI CID product ions from alpha1-->2 linkage diglycosyl flavonoids involve multibond cleavages; the possible mechanism is discussed based on the computer modeling using Gaussian 03 program package at the B3LYP/6-31G level of theory. Unambiguous elementary composition data provides fragmentation information that has not been reported previously. |
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