Figure 6
From: In silico fragmentation for computer assisted identification of metabolite mass spectra
Empirical runtime. Runtime for the in silico fragmentation step on 5900 compounds randomly drawn from PubChem, with uniform mass distribution between 100 and 1000 Da. Limiting the tree depth of the in silico fragmentation to two (orange) results in an average runtime of 0.2 s for one compound. The exponential runtime can be seen especially when a larger tree depth (red) is used, raising the runtime to 3.4s.