Only in some cases, an isotopologue at 301.163 m/z was detected, which would still mean that there were no isotopologues with an isotopologue mass depth of 2 or 3 present with higher intensities than the signal at 304.182 m/z. To conclude, the classification model had a higher TP r and lower FD r than the mass difference method. However, if the decreasing intensity with lower isotopologue probabilities would have been taken into account, the methods would both have had an FD r of 0.0%.