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Mathematical Skills in Chemistry

Graphs: plotting, gradients, intercepts and tangents — reading a spectrum

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Overview

Recall questions on plotting — reading a spectrum, gradients, intercepts and tangents — reading a spectrum.

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Key term

How is the relative molecular mass of a compound read from its mass spectrum?

Key term

A mass spectrum shows a molecular ion at m/z 46 and a prominent fragment at m/z 31. Identify the compound and the fragment.

Key term

Explain how a fragment peak at m/z 15 and one at m/z 29 are interpreted in a mass spectrum.

Questions from this subtopic

Each one with the model answer underneath.

  1. 1

    How is the relative molecular mass of a compound read from its mass spectrum?

    Model answer

    The molecular ion peak, the peak of highest mass-to-charge ratio ignoring any small isotope peaks beyond it, corresponds to the intact molecule that has lost one electron. Since the charge is 1+, the m/z value of this peak equals the relative molecular mass.

  2. 2

    The mass spectrum of a chloroalkane shows peaks at m/z 64 and 66 with relative heights in the ratio 3:1. What does this pattern show, and what is the compound?

    Model answer

    The pair of peaks two units apart with heights in a 3:1 ratio is the signature of a single chlorine atom, reflecting the natural abundances of ³⁵Cl and ³⁷Cl. A molecular ion at 64 corresponds to C₂H₅Cl, chloroethane, since (2 × 12) + (5 × 1) + 35 = 64.

  3. 3

    A molecular ion region shows two peaks of almost equal height two mass units apart. Which halogen is present, and why does the pattern differ from that of chlorine?

    Model answer

    Bromine is present. Its two isotopes, ⁷⁹Br and ⁸¹Br, occur in almost equal natural abundance, so the two peaks are of similar height, whereas chlorine's isotopes are in roughly a 3:1 ratio and give peaks of markedly unequal height.

  4. 4

    A mass spectrum shows a molecular ion at m/z 46 and a prominent fragment at m/z 31. Identify the compound and the fragment.

    Model answer

    A molecular ion at 46 fits C₂H₆O. The fragment at 31 corresponds to CH₂OH⁺, formed by loss of a CH₃ group of mass 15, which identifies the compound as ethanol rather than methoxymethane.

  5. 5

    Explain how a fragment peak at m/z 15 and one at m/z 29 are interpreted in a mass spectrum.

    Model answer

    A peak at m/z 15 corresponds to CH₃⁺ and one at m/z 29 to C₂H₅⁺, though 29 can also arise from CHO⁺ in aldehydes. Fragment peaks are matched to the masses of plausible groups within the molecule, and the differences between a fragment and the molecular ion reveal what has been lost.

  6. 6

    Why can no fragment peak in a mass spectrum lie above the molecular ion peak?

    Model answer

    Fragmentation only breaks the molecular ion into smaller pieces, so every fragment must have a mass lower than the intact molecule. A peak above the molecular ion would indicate an impurity of higher relative molecular mass, or an isotope peak such as the M+2 of a chlorine-containing species.

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