@article{7121, author = {J. Oomens and S. Young and S. Molesworth and M. Van Stipdonk}, title = {Spectroscopic Evidence for an Oxazolone Structure of the b(2) Fragment Ion from Protonated Tri-Alanine}, 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. (J Am Soc Mass Spectrom 2009, 20, 334-339) (C) 2009 Published by Elsevier Inc. on behalf of American Society for Mass Spectrometry}, year = {2009}, journal = {Journal of the American Society for Mass Spectrometry}, volume = {20}, number = {2}, pages = {334-339}, month = {Feb}, isbn = {1044-0305}, url = {://000263004500020 }, note = {ISI Document Delivery No.: 402HJTimes Cited: 0Cited Reference Count: 37}, language = {English}, }