Heterocyclic ring cleavage upon collision‐induced dissociation of deprotonated 3‐hydroxy‐1,2,5‐oxadiazoles (3‐hydroxyfurazans) |
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| Authors: | J. Stuart Grossert Agnese C. Pippione Donatella Boschi Marco L. Lolli Robert L. White |
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| Affiliation: | 1. Department of Chemistry, Dalhousie University, Halifax, Nova Scotia, Canada;2. Dipartimento di Scienza e Tecnologia del Farmaco (DSTF), Università degli Studi di Torino, Torino, Italy |
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| Abstract: | A series of 4‐substituted 3‐hydroxyfurazans were subjected to electrospray ionization tandem mass spectrometry. At low collision energy, oxyisocyanate ([O=C=N–O]?, m/z 58) was formed as the predominant product ion from each deprotonated 3‐hydroxyfurazan, indicating cleavage of the heterocyclic ring. The facile energetics of this characteristic fragmentation process was confirmed by density functional computations. |
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| Keywords: | fragmentation mechanisms heterocycles 3‐hydroxyfurazan negative ion computations tandem mass spectrometry |
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