B American Society for Mass Spectrometry, 2017 J. Am. Soc. Mass Spectrom. (2017) 28:2728Y2730 DOI: 10.1007/s13361-017-1804-y COMMENT Comment on: BQuantum Chemical Mass Spectrometry: Verification and Extension of the Mobile Proton Model for Histidine^ by Julie Cautereels and Frank Blockhuys, J. Am. Soc. Mass Spectrom. 28, 1227-1235 (2017) n a recent article , a newly developed computational meth- produces a lactam b ion and complement neutral S residue. Iod is applied to a series of histidine containing tripeptides The authors do not mention the possibility of the b ion having (sequences XHS, where X varies). Amongst a number of bold an oxazolone  or diketopiperazine  structure, or a more statements, the authors claim to provide both the first quantum complex mixture [4–9]. The potential for isomerization be- mechanical verification of the mobile proton model for histidine tween the oxazolone and lactam forms  is not investigated and to extend the model in general based on these findings. A either. Prior energy-resolved MS experiments performed single proton mobilization mechanism is stated to be responsible on histidine-containing protonated peptides provided evidence for the purely theoretical fragmentation behavior that produces a that leaving group identity directly influences the structure of lactam b
Journal of The American Society for Mass Spectrometry – Springer Journals
Published: Sep 26, 2017
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