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dc.contributor.authorDua, S.en
dc.contributor.authorBowie, J.en
dc.contributor.authorHevko, J.en
dc.identifier.citationEuropean Journal of Mass Spectrometry, 2001; 7(1):7-14en
dc.description.abstractThe 3,4-epoxybutoxide anion on collisional activation in the gas phase forms an intermediate ion complex (vinyl ethylene oxide, HO–) which eliminates water by two competitive pathways, viz. (i) by the HO– ion deprotonating the neutral to produce a vinylethylene oxide anion deprotonated on the ring adjacent to the vinyl substituent: this anion then ring opens to give –CH2–CO–CH=CH2 and (ii) by the HO– ion deprotonating at the ring methylene group to give a cyclic anion which ring opens to yield –CH2–CH=CH–CHO. In contrast, when vinyl ethylene oxide is allowed to react with HO– in the source of the mass spectrometer, deprotonation occurs mainly, if not exclusively, at the ring methylene position (as shown by deuterium labelling) to yield the anion –CH2–CH=CH–CHO. The two ring-opening processes have been investigated using theoretical studies at the MP2 Fc/6-31+G(d) level of theory.en
dc.description.statementofresponsibilitySuresh Dua, John H. Bowie and John M. Hevkoen
dc.publisherIM Publicationsen
dc.subjectisomeric C4H5O anions, rearrangement, depronated methyl vinyl ketone, deprotonated crotonaldehydeen
dc.titleRearrangement and fragmentation of isomeric C4H5O anions upon collision activation: a combined experimental and ab initio studyen
dc.typeJournal articleen
pubs.library.collectionChemistry publicationsen
Appears in Collections:Chemistry publications

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