The number of rings and double bonds in a chemical identified on mass spectrometry can help characterize the compound.
rings plus double bonds =
= (number of carbon) – ((number of hydrogen) / 2) + ((number of nitrogen) / 2) + 1
with oxygen not factored into the equation.
Additional elements:
(1) halogens: count as hydrogen
(2) silicon: count as carbon
(3) ulfur: count as oxygen
(4) phosphorus: count as nitrogen
Interpretation:
• If the resulting number is an integer, then it is an odd-electron species and it is probably the molecular ion.
• If the resulting number has a fractional number, then the ion is an even-electron species and it is probably a fragment ion.
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Specialty: Clinical Laboratory
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