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Table 1 Restrictions for number of elements during formula generation for small molecules based on examination of the DNP and Wiley mass spectral databases. For each element, the higher count was taken for denominating the element restriction rule #1

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

Mass Range [Da] Library C max H max N max O max P max S max F max Cl max Br max Si max
< 500 DNP 29 72 10 18 4 7 15 8 5  
  Wiley 39 72 20 20 9 10 16 10 4 8
< 1000 DNP 66 126 25 27 6 8 16 11 8  
  Wiley 78 126 20 27 9 14 34 12 8 14
< 2000 DNP 115 236 32 63 6 8 16 11 8  
  Wiley 156 180 20 40 9 14 48 12 10 15
< 3000 DNP 162 208 48 78 6 9 16 11 8