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New [C2, H3, N, O]+˙ isomers: A metastable and collision-induced fragmentation study

✍ Scribed by Cornelis E. C. A. Hop; David F. Snyder

Publisher
John Wiley and Sons
Year
1993
Tongue
English
Weight
778 KB
Volume
28
Category
Article
ISSN
1076-5174

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✦ Synopsis

Abstract

Metastable and collision‐induced fragmentation in a masspsectrometer were used to characterize several [C~2~, H~3~, N, O]^+˙^ isomers. CO~2~ loss from ionized oxazolidine‐2,5‐dione yields the distonic ions H~2~CNHCO^+˙^ and HNCH~2~CO^+˙^ and not the cyclic isomer, . Kinetic energy relese measurement indicate that CO~2~ loss from the molecular ions is accompanied by a significant barrier for the reverse reaction. In this respect the behavior of oxazolidine‐2,5‐dione parallels that of the isoelectronic compound sucinic anhydride. O(H)CC(H)NH^+˙^ kions are generated via CO loss from 2(3__H__)‐oxazolone molecular ions. There is no evidence to support generation of the cyclic isomer, . For comparison, data wer obtained for the known isomers H~3~CNCO^+˙^, H~3~COCN^+˙^, H~3~CCNO^+˙^, HOCH~2~CH^+˙^ H~2~NCCOH^+˙^ H~2~N(H)CCO^+˙^ and H~2~CC(H)NO^+˙^. The H~3~COCN^+˙^ and H~3~CCNO^+˙^ structures were assigned to the m/z 57 fragment ions from methyl cyanoformate and acetohydroxamic acid, respectively.

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