Table 2.
Priors for implausible losses
Probability | Loss type and molecular formulas |
---|---|
Implausible losses: , , , , | |
Neutral losses with negative ring double bond equivalent RDBE | |
0.1 | Nitrogen-only losses, carbon-only losses: for example, or |
1 | All other neutral losses |
0.9 | Common radical losses: , , , , , , , |
All other radical losses |
For an edge (u, v) with loss let be the prior for chosen according to this table. Expert knowledge and evaluation of FTs from SIRIUS2 resulted in the implausible losses listed here [41]. These losses should only very rarely (if ever) occur in a FT, so we manually select reduced priors