Fragmentation of Benzylpyridinium "Thermometer" Ions and Its Effect on the Accuracy of Internal Energy Calibration

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Author(s) Barylyuk, Konstantin V., Chingin, Konstantin, Balabin, Roman M., Zenobi, Renato
Publication Type Journal Items, Publication Status: Published
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Title Fragmentation of Benzylpyridinium "Thermometer" Ions and Its Effect on the Accuracy of Internal Energy Calibration
Author(s) Barylyuk, Konstantin V.
Chingin, Konstantin
Balabin, Roman M.
Zenobi, Renato
Journal or Series Title Journal of the American Society for Mass Spectrometry
Volume Number 21
Issue Number 1
Start Page 172
End Page 177
ISSN 1044-0305
Publisher Elsevier Science
Publication Place New York
Publication Date 2010
Abstract Electrospray ionization mass spectrometry (ESI-MS) is a powerful analytical method to study biomolecules and noncovalent complexes. The prerequisite for their intact observation is soft ionization. In ESI, the internal energy of ions is primarily influenced by collisional activation in the source. The survival yield method is frequently used to probe the energy deposition in ions during the electrospray process. In the present work, we investigate the fragmentation pathways of para-substituted benzylpyridinium ions, the most widely used "thermometerions" in the survival yield method. In addition to the C-N bond cleavage, alternative fragmentation channels were found for the compounds studied. We consider these pathways to result from intramolecular rearrangements. The effect of these additional fragments on the accuracy of the internal energy calibration is estimated for both collision-cell and in-source collision-induced dissociation (CID). Altogether, results presented suggest that a correction of the energy scale is necessary for the method based on benzylpyridinium ions to precisely quantify ion internal energies.
DOI 10.1016/j.jasms.2009.09.023
Additional Notes Received 11 August 2009, Revised 27 September 2009, Accepted 27 September 2009, Available online 6 October 2009
Document Type Article
Publication Status Published
Language English
Assigned Organisational Unit(s) 03430
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NEBIS System Number 000541631
Source Database ID WOS-000274518100022
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  author = "Barylyuk, Konstantin V. and Chingin, Konstantin and Balabin, Roman M. and Zenobi, Renato",
  title = "{F}ragmentation of {B}enzylpyridinium "{T}hermometer" {I}ons and {I}ts {E}ffect on the {A}ccuracy of {I}nternal {E}nergy {C}alibration",
  journal = "Journal of the American Society for Mass Spectrometry",
  year = 2010,
  volume = "21",
  number = "1",
  pages = "172--177",

E-Citations record created: Fri, 16 Apr 2010, 13:43:21 CET