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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Published online November 1, 2008
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Oomens, J., Young, S., Molesworth, S. et al. Spectroscopic evidence for an oxazolone structure of the b2 fragment ion from protonated tri-alanine. J Am Soc Mass Spectrom 20, 334–339 (2009). https://doi.org/10.1016/j.jasms.2008.10.012
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DOI: https://doi.org/10.1016/j.jasms.2008.10.012