Table 2.
Average number of matching empirical formulae identified in PubChem at various mass accuracies, averaging over all masses in the present release of the database (mass range 2–9200, median mass 438)
ppm | 0.01 | 0.02 | 0.05 | 0.08 | 0.1 | 0.2 | 0.5 | 0.8 | 1 | 2 | 5 | 10 | 20 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Hits | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.03 | 1.06 | 1.09 | 1.32 | 2.03 | 3.40 | 6.08 |