Table 5 MetFrag Score breakdown by scoring term for the top 4 candidates for m/z 278.1062 (ultimately identified as metazachlor with Level 1 confidence)
MetFrag Scoring terms | Candidate 1 DTXSID4058156 | Candidate 2 DTXSID90916646 | Candidate 3 DTXSID40736053 | Candidate 4 DTXSID30150421 |
|---|---|---|---|---|
Spectral terms (raw scores) | ||||
FragmenterScore | 95.30 | 18.00 | 61.52 | 47.52 |
OfflineMetFusion | 4.64 | 3.65 | 3.25 | 2.99 |
OfflineIndivMoNA | 1.00 | 0 | 0 | 0 |
Metadata terms (raw scores) | ||||
CPDAT_COUNT | 0 | 0 | 0 | 0 |
DATA_SOURCES | 47 | 2 | 1 | 7 |
KEMIMARKET_EXPO | 16 | 0 | 0 | 0 |
KEMIMARKET_HAZ | 9 | 0 | 0 | 0 |
NORMANSUSDAT | 1 | 0 | 0 | 0 |
REACH2017 | 1 | 1 | 0 | 0 |
INDACT | 0 | 0 | 0 | 0 |
MetFrag Score (weighted) | ||||
Total | 7.00 | 1.52 | 1.37 | 1.29 |