Fig. 3: SNAP-MS workflow.

The compound family annotation of a subnetwork showing a the input subnetwork, b candidate structures retrieved from the Natural Products Atlas for each mass from panel a. Node edge color indicates original mass match, c the resulting top ranked compound family after structural similarity scoring and filtering containing members of the trichostatin compound family, and d confirmation of the assignment by isolation and 1H NMR analysis of trichostatin A.