A food scientist analyses a sample of a flavouring compound using mass spectrometry and infrared spectroscopy. The mass spectrum shows a molecular ion peak at m/z = 88. The infrared spectrum shows a broad absorption between 2500–3300 cm⁻¹ and a strong absorption at approximately 1710 cm⁻¹. Explain how these two techniques together allow the food scientist to identify the flavouring compound.

Edexcel A-Level Chemistry (9CH0) — 7.1 Mass spectrometry and infrared · Explain · 5 marks · View as Markdown

Written & reviewed by James Millett — Biology (Imperial College London), PGCE Science (University of Cambridge).

Mass spectrometry gives the relative molecular mass of a compound by detecting the mass-to-charge ratio (m/z) of ions. Infrared spectroscopy identifies functional groups present in a molecule because different chemical bonds absorb infrared radiation at characteristic wavenumbers. A broad absorption between 2500–3300 cm⁻¹ is characteristic of the O–H bond in a carboxylic acid, and a strong absorption at approximately 1710 cm⁻¹ is characteristic of the C=O bond in a carboxylic acid.

Model answer (5 marks)

Mass spectrometry gives the relative molecular mass of the compound.

The molecular ion peak at m/z = 88 shows that the relative molecular mass (Mr) of the flavouring compound is 88.

Infrared spectroscopy identifies functional groups.

The broad absorption between 2500–3300 cm⁻¹ is characteristic of an O–H bond in a carboxylic acid, and the strong absorption at ~1710 cm⁻¹ is characteristic of the C=O bond in a carboxylic acid.

Combining the Mr of 88 with the presence of a carboxylic acid functional group allows the scientist to match the compound to a known flavouring with that formula and functional group, thereby identifying the compound.

Examiner tips

  • Use the command word ‘Explain’ – give a clear, logical sequence of how each technique contributes.
  • Show the link between the m/z value and Mr, then link the IR bands to the carboxylic acid group, finally state the identification step.

Common mistakes

  • Confusing m/z with the exact mass of the ion instead of Mr; "m/z = 88" means Mr = 88.
  • Failing to mention both the O–H and C=O absorptions as evidence of a carboxylic acid.
  • Not explicitly stating that the two data sets together enable identification.

Mark scheme (5 marks)

  1. Mass spectrometry gives the relative molecular mass (Mr) of the compound
  2. The molecular ion peak at m/z = 88 means the relative molecular mass of the compound is 88
  3. Infrared spectroscopy identifies the functional groups present in the compound
  4. The absorptions at 2500–3300 cm⁻¹ and 1710 cm⁻¹ indicate the compound contains a carboxylic acid functional group (O–H and C=O bonds)
  5. Using both pieces of data together (Mr of 88 and carboxylic acid functional group) allows the scientist to identify the specific compound

Key terms in this question

mass spectrometry · molecular ion peak · m/z · infrared spectroscopy

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