Skip to main content

Table 2 Common element ratios obtained from 45.000 formulas comprising the Wiley mass spectral database for the mass range 30 Da – 1500 Da

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

Element ratios Common range (covering 99.7%) Extended range (covering 99.99%) Extreme range (beyond 99.99%)
H/C 0.2–3.1 0.1–6 < 0.1 and 6–9
F/C 0–1.5 0–6 > 1.5
Cl/C 0–0.8 0–2 > 0.8
Br/C 0–0.8 0–2 > 0.8
N/C 0–1.3 0–4 > 1.3
O/C 0–1.2 0–3 > 1.2
P/C 0–0.3 0–2 > 0.3
S/C 0–0.8 0–3 > 0.8
Si/C 0–0.5 0–1 > 0.5