(A) IM separation of nucleoside isomers (chemical structures illustrated at the top of the panel) for [M+H]+, [M+Na]+, and [M-H]− ion forms, respectively. For these particular isomers, enhanced separation is noted for the sodium adducts, while the negative mode A-5-DP [M-H]−and A-3,5-DP CCS distributions are indistinguishable. After sorting all observed isomer sets in the MSMLS dataset, pairwise matches were created and evaluated based on their percent difference in CCS. The resulting difficulty in separations is noted in panels (B) for positive and (C) negative ion forms.