Often salts are measured in a mass spectrometer, however, in the mass spectrometer these salts often fall apart into different salts. Resulting in actually measuring only one or a few of the ions added. This results in a mismatch between parent mass and the SMILES match. We repair this, by checking if the parent mass matches any of the separate or combinations of salt ions given in the SMILES. For instance C1=NC2=NC=NC(=C2N1)N.Cl is converted to 1=NC2=NC=NC(=C2N1)N if this matches the parent mass.