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- W2073695238 abstract "Gas-phase dissociation pathways of deprotonated 1,4-naphthoquinone (NQ) derivatives have been investigated by electrospray ionization tandem mass spectrometry (ESI-MS/MS). The major decomposition routes have been elucidated on the basis of quantum chemical calculations at the B3LYP/6-31 + G(d,p) level. Deprotonation sites have been indicated by analysis of natural charges and gas-phase acidity. NQ anions underwent an interesting reaction under collision-induced dissociation conditions, which resulted in the radical elimination of the lateral chain, in contrast with the even-electron rule. Possible pathways have been suggested, and their mechanisms have been elucidated on the basis of Gibbs energy and enthalpy values for the anions previously described at each pathway." @default.
- W2073695238 created "2016-06-24" @default.
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- W2073695238 date "2009-06-11" @default.
- W2073695238 modified "2023-10-16" @default.
- W2073695238 title "Gas-phase dissociation of 1,4-naphthoquinone derivative anions by electrospray ionization tandem mass spectrometry" @default.
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- W2073695238 doi "https://doi.org/10.1002/jms.1600" @default.
- W2073695238 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19521969" @default.
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