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. Author manuscript; available in PMC: 2021 Apr 20.
Published in final edited form as: Anal Chem. 2020 Feb 25;92(6):4275–4283. doi: 10.1021/acs.analchem.9b04867

Figure 7:

Figure 7:

Similarities between the experimental and predicted 1+ (a) and 4+ (b) HCD spectra using MTL approach, in comparison with the similarities between spectra in replicated experiments and the direct prediction approach.