“…The characterization of the most stable protonated conformer/tautomer is usually obtained through combination of infrared spectroscopy and ab-initio calculations. [16][17][18][19][20][21][22][23][24][25] We have shown that electronic spectroscopy can be also used as a fingerprint to differentiate isomers and assign the most stable structures in the assumption that the thermal equilibrium is obtained in an ion trap, and that the oscillator strength, the Franck Condon factors and the fragmentation yield are known. 9,12,26 In addition to the canonical Watson-Crick pairs, DNA base pairs can form noncanonical pairs 27 for which special hydrogen bonds are found, such as Cytosine···H + ···Cytosine (C 2 H + ) 28 formed in DNA at acidic pH values.…”