An MO Theoretical Study on Isobutene Loss from Protonated Prenylated Flavonoids
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概要
- 論文の詳細を見る
The fragmentation mechanism for isobutene loss from the protonated molecules [M+H]+ of 6- and 8-prenylated chromanones as the model compounds for 6- and 8-prenylated flavonoids was examined by using the MNDO-PM3 method. Heats of formation of the [M+H]+ ions and energy barrier of the fragmentation were estimated. The calculated results rationalized the fact that 6-prenylated flavonoids always show extensive loss of the isobutene from the [M+H]+ ion more than the corresponding 8-prenylated flavonoids in their fast-atom bombardment (FAB) spectra. The point is that the proton migration occur through intramolecular hydrogen bonding with low energy barrier prior to the loss of isobutene.
- 日本質量分析学会の論文
著者
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Takayama Mitsuo
Faculty Of Pharmaceutical Sciences Toho University
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Shigihara Atsushi
Hoshi College Of Pharmacy
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Takayama Mitsuo
Faculty of Pharmaceutical Sciences, Toho University
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