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Table 3 Multiple element count restriction for compounds < 2000 Da, based on the examination of the Beilstein database and the Dictionary of Natural Products

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

Element counts Heuristic Rule DB examples for maximum values
NOPS all > 1 N< 10, O < 20, P < 4, S < 3 C15H34N9O8PS, C22H44N4O14P2S2, C24H38N7O19P3S
NOP all > 3 N < 11, O < 22, P < 6 C20H28N10O21P4, C10H18N5O20P5
OPS all > 1 O < 14, P < 3, S < 3 C22H44N4O14P2S2, C16H36N4O4P2S2
PSN all > 1 P < 3, S < 3, N < 4 C22H44N4O14P2S2, C16H36N4O4P2S2
NOS all > 6 N < 19 O < 14 S < 8 C59H64N18O14S7