Table 10 MetFrag Score breakdown by scoring term for the top 4 candidates for m/z 199.1050
MetFrag Scoring terms | Candidate 1 DTXSID40514171 | Candidate 2 DTXSID00556299 | Candidate 3 DTXSID20776997 | Candidate 4 DTXSID50511555 |
|---|---|---|---|---|
Spectral terms (raw scores) | ||||
FragmenterScore | 19.48 | 2.43 | 8.12 | 6.00 |
OfflineMetFusion | 2.808 | 2.809 | 2.800 | 2.810 |
OfflineIndivMoNA | 0 | 0 | 0 | 0 |
Metadata terms (raw scores) | ||||
CPDAT_COUNT | 0 | 0 | 0 | 0 |
DATA_SOURCES | 1 | 2 | 1 | 1 |
KEMIMARKET_EXPO | 0 | 0 | 0 | 0 |
KEMIMARKET_HAZ | 0 | 0 | 0 | 0 |
NORMANSUSDAT | 0 | 0 | 0 | 0 |
REACH2017 | 0 | 0 | 0 | 0 |
INDACT | 0 | 0 | 0 | 0 |
MetFrag Score (weighted) | ||||
Total | 2.50 | 2.12 | 1.91 | 1.81 |