Comment on: “Quantum 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)

Comment on: “Quantum Chemical Mass Spectrometry: Verification and Extension of the Mobile... 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 [1], 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 [2] or diketopiperazine [3] 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 [6] is not investigated and to extend the model in general based on these findings. A either. Prior energy-resolved MS experiments [6]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 http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of The American Society for Mass Spectrometry Springer Journals

Comment on: “Quantum 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)

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Publisher
Springer Journals
Copyright
Copyright © 2017 by American Society for Mass Spectrometry
Subject
Chemistry; Analytical Chemistry; Biotechnology; Organic Chemistry; Proteomics; Bioinformatics
ISSN
1044-0305
eISSN
1879-1123
D.O.I.
10.1007/s13361-017-1804-y
Publisher site
See Article on Publisher Site

Abstract

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 [1], 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 [2] or diketopiperazine [3] 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 [6] is not investigated and to extend the model in general based on these findings. A either. Prior energy-resolved MS experiments [6]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

Journal of The American Society for Mass SpectrometrySpringer Journals

Published: Sep 26, 2017

References

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