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Degrees of freedom effect on fragmentation in tandem mass spectrometry of singly charged supramolecular aggregates of sodium sulfonates
Author(s) -
Indelicato Serena,
Bongiorno David,
Indelicato Sergio,
Drahos Laszlo,
Turco Liveri Vincenzo,
Turiák Lilla,
Vékey Karoly,
Ceraulo Leopoldo
Publication year - 2013
Publication title -
journal of mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 1076-5174
DOI - 10.1002/jms.3161
Subject(s) - chemistry , fragmentation (computing) , protonation , ion , sodium polyacrylate , monomer , tandem mass spectrometry , molecule , crystallography , mass spectrometry , computational chemistry , stereochemistry , polymer , organic chemistry , chromatography , raw material , computer science , operating system
The characteristic collision energy (CCE) to obtain 50% fragmentation of positively and negatively single charged noncovalent clusters has been measured. CCE was found to increase linearly with the degrees of freedom (DoF) of the precursor ion, analogously to that observed for synthetic polymers. This suggests that fragmentation behavior (e.g. energy randomization) in covalent molecules and clusters are similar. Analysis of the slope of CCE with molecular size (DoF) indicates that activation energy of fragmentation of these clusters (loss of a monomer unit) is similar to that of the lowest energy fragmentation of protonated leucine–enkephalin. Positively and negatively charged aggregates behave similarly, but the slope of the CCE versus DoF plot is steeper for positive ions, suggesting that these are more stable than their negative counterparts. Copyright © 2013 John Wiley & Sons, Ltd.