CEEPC/IPM/CMSC - Abstrakt prezentace

(CEEPC/IPM/CMSC 2022 - ThP-35)
Identifying of Singly and Doubly Protonated DNA Trinucleotide Codons Using a Gas-Phase Dissociation

Jiahao Wan 1, Břetislav Brož 2 *, Yue Liu 1, Shu R. Huang 1, Aleš Marek 2, František Tureček 1

  1. Department of Chemistry, University of Washington, Seattle, WA, USA
  2. Institute of Organic Chemistry and Biochemistry of the CAS, Prague, CZ


Dissociations of DNA trinucleotide codons as gas-phase protonated ions were studied by tandem mass spectrometry. The cations showed different distributions of nucleobase loss from the 5’, middle, and 3’-positions depending on the nucleobase nature as well as the charge state (+1 or +2).
In the case of structurally identical nucleobases in different positions (the dXXX and dXYX type), we achieved an unambiguous resolution of this identity by analyzing the dissociations of codons in which individual bases were distinguished by site-specific 15N-labelling. Those derivatives were synthesized manually resulting in mass shifts by 5 Da for [15N5]-adenine and [15N5]-guanine, 3 Da for [15N3]-cytosine, and 2 Da for [15N2]-thymine. The combined results of our experimental and computational study will be discussed – especially the positional propensity of adenine, guanine, cytosine and thymine to dissociate as neutral molecules or protonated nucleobases.

* Korespondující autor: bretislav.broz@uochb.cas.cz


  1. Wan J. et al.: J. Am. Soc. Mass Spectrom., accepted (2022).
  2. Brož B. et al.: J. Labelled Compd. Radiopharm., accepted (2022).


This work was supported by the project INTER-EXCELLENCE LTAUSA19094 provided by the Ministry of Education, Youth and Sports of the Czech Republic, and an institutional support from the Czech Academy of Sciences (RVO: 61388963). Research at University of Washington was supported by the Chemistry Division of the U.S. National Science Foundation (Grant CHE-1951518).

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