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. 2009 Feb;20(2):334-9.
doi: 10.1016/j.jasms.2008.10.012. Epub 2008 Nov 1.

Spectroscopic evidence for an oxazolone structure of the b(2) fragment ion from protonated tri-alanine

Jos Oomens  1 , Sarah Young, Sam Molesworth, Michael van Stipdonk
Affiliations
Free article

Spectroscopic evidence for an oxazolone structure of the b(2) fragment ion from protonated tri-alanine

Jos Oomens et al. J Am Soc Mass Spectrom. 2009 Feb.
Free article

Abstract

Infrared multiple photon dissociation (IRMPD) spectroscopy is used to identify the structure of the b(2)(+) ion generated from protonated tri-alanine by collision induced dissociation (CID). The IRMPD spectrum of b(2)(+) differs markedly from that of protonated cyclo-alanine-alanine, demonstrating that the product is not a diketopiperazine. Instead, comparison of the IRMPD spectrum of b(2)(+) to spectra predicted by density functional theory provides compelling evidence for an oxazolone structure protonated at the oxazolone N-atom.

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