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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