Comparing the Collision-Induced Dissociation of Trimethyl Lysine+ and Acetyl Lysine-H+

30 August 2023, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


Experimental and computational results are reported on the reaction dynamics taking place within the collision-induced dissociation (CID) of Ne,Ne,Ne-Trimethyl-L-lysine+ (TMe-lysine+) and Ne-acetyl-L-lysine-H+ (acetyl-lysine-H+). These common post-translational modifications result in a mass difference of only 0.036 Dalton. Resolving these two species directly requires a high-resolution instrument and they share several CID peaks. Nevertheless, the mechanisms observed are strikingly different, particularly at lower internal energies. Reactivity is higher for acetyl-lysine-H+, with decomposition initiated via losses at the N- and C-termini. In contrast, unmodified lysine and TMe-lysine+ exhibit mechanisms that involve an initial loss of the PTM.


post-translational modification
direct dynamics simulation
graph theory


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