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Mass Spectroscopy for Organic Compound Identification

The document discusses the identification of organic compounds using mass spectroscopy, detailing the analysis of fragment mass-to-charge ratios and the significance of high-resolution mass spectra. It explains the presence of [M+1] peaks due to carbon isotopes and how to determine the number of carbon atoms in a molecule based on the abundance of these peaks. Additionally, it addresses how the presence of chlorine or bromine can be inferred from specific peak patterns in the mass spectrum.

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Ravini Hettiarachchi
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5 views11 pages

Mass Spectroscopy for Organic Compound Identification

The document discusses the identification of organic compounds using mass spectroscopy, detailing the analysis of fragment mass-to-charge ratios and the significance of high-resolution mass spectra. It explains the presence of [M+1] peaks due to carbon isotopes and how to determine the number of carbon atoms in a molecule based on the abundance of these peaks. Additionally, it addresses how the presence of chlorine or bromine can be inferred from specific peak patterns in the mass spectrum.

Uploaded by

Ravini Hettiarachchi
Copyright
© All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as DOCX, PDF, TXT or read online on Scribd

Identification of an organic compound using mass spectroscopy

Identify the fragments with mass-to-charge ratios of:

i 15
ii 43
iii 45
iv 60.
Identify the fragments;

29-

43-

57-

72-

High-resolution mass spectra


But in high resolution mass spectra,

-Measure the mass of the molecular ion so accurately.


C2H7N+ - peak at 45.057846
CH3NO+- peak at 45.021462

[M+1] Peak
There will always be a very small peak just beyond the molecular ion peak at a
mass of [M+1]
Caused by-molecules in which one of the carbon atoms is the 13C isotope

Here the molecular ion peak is ………………………………………………………..

In any organic compound there will be 1.10% C-13


Let’s find the number of C atoms (n) in a molecule
n= 100 x abundance of [M+1]+ ion
1.1 abundance of M+ ion
If

the sample compound contains Cl or Br atoms-get peaks beyond the molecular ion
peak.
Cl and Br have isotopes.
Sample CH3Cl

If the [M+2] peak is one third the height of the M peak-There is one Cl atom per
molecule.

CH3Br
If the [M+2] peak is the same as the height of the M peak-There is one Br atom
per molecule.

CH2Cl2

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