We used two random spectra from the public dataset released by Graham Cooks lab to evaluate our inverse structure elucidation pipeline (Figure ) . In these two examples, we noted several structures, with different elemental compositions but similar molecular weight, being predicted using the inverse structure elucidation pipeline, as described in Section 2.2. When the spectra were run in the mode without providing any elemental composition, it was noted that the model was biased toward finding structures of lower molecular masses. The above examples demonstrated the utility of the tool, providing evidence of how an unknown electrospray ionization (ESI) mass spectrometry data can be translated into chemical structures of varying elemental composition.