Mass Spectrometry Study Combined with Theoretical Calculation on the Unimolecular Fragmentation of Tetrahydroimidazole-substituted Methyleneβ-Diketones

Abstract

Abstract: Studies of low-energy collision-induced dissociation and isotopic labeling on ionized te-trahydroimidazole-substituted methyleneβ-diketones by tandem mass spectrometry showed that Their unimolecular fragmentations may involve The reactions of intermediate ion/neutral complexes and multistep rearrangements.The corresponding mechanisms were proved by semiemipirical cal-culations of PM3 and AM1 met hods.

Key words: Tetrahydroimidazole-substituted methyleneβ-diketones, Mass spectrometry, Uni-molecular fragmentation, Ion/neutral complex, Theoretical calculation

CLC Number:

O621.21

TrendMD:

WEI Jun-Hua, SHE Yi-Min, XU Wen-Guo, LIU Shu-Ying . Mass Spectrometry Study Combined with Theoretical Calculation on the Unimolecular Fragmentation of Tetrahydroimidazole-substituted Methyleneβ-Diketones[J]. Chem. J. Chinese Universities, 1999, 20(1): 101.

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Mass Spectrometry Study Combined with Theoretical Calculation on the Unimolecular Fragmentation of Tetrahydroimidazole-substituted Methyleneβ-Diketones

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