Mass spectrometry - What is MS

6 important questions on Mass spectrometry - What is MS

What is mass spectrometry and on what is it based?

Mass spectrometry is a technique for the identification of compounds based on the measurement of their molecular mass and of the molecular masses of the fragments derived from them

It is based on the gas phase separation of charged molecules and charged fragments based on the mass-to-charge ratio

What is a mass spectrum?

Graph of the relative abundance of the ions as a function of the m/z ratio.

What is the average and exact mass?

Average mass: is the mass calculated using for every element the mass obtained by averaging all the isotopes
C=12.011, H=1.0079, N=14.0067, O=15.9999, S=32.06, Cl=35.453

Exact mass: (also called monoisotopic mass) is the mass calculated using for every element the most abundant isotope
C=12.0000, H=1.0078, N=14.0031, O=15.9949, S=31.9721, Cl=34.9689

Let op! Isotopes do NOT have an integer mass, except 12C
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What kind of mass is given by low and high resolution ms?

  • The average mass is to be used whenever is NOT possible to discriminate among isotopes (low resolution MS)
  • The exact mass is to be used whenever is possible to discriminate among isotopes (high resolution MS)


The resolution it is determined by the instrument used, and in particular by the ion analyser.

How can a high resolution ms determine what kind of molecule you have?

A certain molecule will have a very specific mass.

242: 46 possible different formulas
242.1: 17 possible different formulas
242.13: 3 possible different formulas
242.131: 1 possible formula: C16H18O2 = 242.1307

What is the nitrogen rule?

An even molecular mass in the INTACT molecule indicates the presence of an even number of nitrogen atoms (or none at all)

An odd molecular mass in the INTACT molecule indicates the presence of an odd number of nitrogen atoms. So if there is a add number you have a nitrogen.

The question on the page originate from the summary of the following study material:

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