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Table 4 Results for number of molecular formulas in ranges < 500, < 1000 and < 2000 Da for elements CHNSOP with maximum valencies (vN = 5, vS = 6, vP = 5) and maximum element counts, last column with element count restrictions from either DNP or Wiley database

From: Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry

Mass range (u) Maximum number of molecular formulas With element ratio check With probability check With probability check + element count restriction
500 2,707,540 1,772,483 729,617 724,270
1000 139,735,355 87,888,303 32,555,050 30,077,741
2000 7,995,776,805 4,926,973,096 1,170,870,061 623,270,049