Fig. 5. Starting with a spectrum from node 2021, which was identified as Napsamycin C from traditional molecular networking work, SIMILE found additional connections that would have been missed if only cosine scoring was used.

The network shown in a contains edges from SIMILE, GNPS-Cosine, and both techniques. The connection to the spectrum from node 2021 shown in b was connected to the spectrum from node 2164 shown in c. Both spectra closely matched the spectra described for these compounds from published work (matching ions are shown)^22,23. The cosine score between these two spectra is near zero.