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Starter for Ten

10. Analysis
Developed by Dr Kristy Turner, RSC School Teacher Fellow 2011-2012 at the University of Manchester,
and Dr Catherine Smith, RSC School Teacher Fellow 2011-2012 at the University of Leicester
This resource was produced as part of the National HE STEM Programme

www.rsc.org/learn-chemistry
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 10. ANALYSIS

10.1. Mass spectrometry

10.1.1. The mass spectrometer
10.1.2. Isotopic abundance
10.1.3. Molecular mass spectrometry
10.2. Infra-red spectroscopy

Analysis answers
 10.1.1. The mass spectrometer

1. The diagram below shows a simple mass spectrometer. Name the processes that occur at each of the
points 1 - 5 highlighted; (5 marks)

–
3
4

1
2

1.
2.
3.
4.
5
5.

2. For each of the statements below, indicate with the appropriate number, the stage in the mass
spectrometer at which that process occurs. The first one has been done for you. (5 marks)

Statement Stage
The atoms are turned into ions 2
The ions are deflected. The size of the deflection depends upon the
ratio of the ion’s mass to its charge.
A current is generated the size of which is proportional to the abundance
of each ion
X(l)  X(g)
The positive ions are attracted towards negatively charged plates
X(g)  X+(g)

Analysis 10.1.1.
 10.1.2. Isotopic abundance

1. The ratio of the different isotopes of certain elements can be used to identify objects from outer
space. By comparing the isotope patterns with samples known to originate on earth the scientists
can determine the origins of unknown objects.
The mass spectrum opposite is of a 85.1%
sample of chromium extracted from a
rock recently found in the Nevada
desert. Scientists believe it may be
from a meteor.
Use the mass spectrum to determine
the relative atomic mass of the
chromium in the rock. Based on your
8.2%
result, suggest the origin of the rock 4.3% 2.4%
sample.
(3 marks)

2. The data below gives the m/z ratio and relative abundance of different isotopes of an element X.
Determine the relative atomic mass of the element X to 1 d.p.
Suggest an identity for X. (4 marks)

m/z 204 205 206 207 208

Abundance 2.7 0.0 46.0 42.2 100.0

3. The element magnesium (relative atomic mass 24.3) has three naturally occurring isotopes, 24Mg, 25Mg
and 26Mg. If the percentage of the heaviest isotope is 11.0%, what is the percentage of the lightest
isotope present? (3 marks)

Analysis 10.1.2.
 10.1.3. Molecular mass spectrometry

Use the elemental analysis data together with the mass spectrum to propose a molecular formula for the
unknowns A to C. Easy! (3 marks for each)

Unknown A
C 61.02%; H 15.25%; N 23.73%

M+
m/z 59

Unknown B
M+
C 49.48%; H 5.15%; O 16.49%; N 28.87%
m/z 194

Unknown C
C 49.02%; H 2.74%; Cl 48.23%

M+
m/z 146 / 148 / 150

BONUS MARK Why does unknown C appear to have three molecular ions each differing in mass by 2?
(1 mark)

Analysis 10.1.3.
 10.2. Infra-red spectroscopy

Help! The computer has gone crazy and mixed up all my spectra. Can you use the infra-red spectra
together with the empirical formula to help me identify the compounds A - D below;

Compound A, C2H4O2 Compound B, C2H6O

Compound C, Empirical formula C3H6O Compound D, Empirical formula C4H8O2

BONUS MARKS
There is more than one possible structure for compounds C and D. Can you suggest an alternative
structure for each which is still compatible with the infra-red spectrum provided?

Analysis 10.2.
 10. Analysis answers

10.1. Mass spectrometry

10.1.1. The mass spectrometer
1. 1. vaporisation
2. ionisation
3. acceleration
4. deflection
5. detection (5 marks)

2.
Statement Stage
The atoms are turned into ions 2
The ions are deflected. The size of the deflection depends upon the 4
ratio of the ion’s mass to its charge.
A current is generated the size of which is proportional to the abundance 5
of each ion
X(l)  X(g) 1
The positive ions are attracted towards negatively charged plates 3
X(g)  X+(g) 2

(5 marks)

10.1.2. Isotopic abundance

1. (4.3% × 50) + (85.1% × 52) + (8.2% × 53) + (2.4% × 54) = 52.0 (2 marks)
100 %
As this is the relative atomic mass of chromium found on earth, this strongly suggests that the rock
sample is indeed from earth and not a meteor. (1 mark)

2. (2.7 × 204) + (46.0 × 206) + (42.2 × 207) + (100 × 208) = 207.2 (2 marks)
(2.7 + 46.0 + 42.2 + 100.0) (1 d.p. 1 mark)
Based on its atomic mass, X is likely to be Pb, lead (1 mark)

3. If there is 11% of the heaviest isotope present we can say that the percentage of the lightest isotope
present is ‘y’ and therefore the percentage of the remaining isotope present must be;
100% - 11% - y% = 89% - y (1 mark)

Therefore substituting these numbers into our equation;

(26 × 11%) + (24 × y%) + [25 × (89 – y)%] = 24.3
100 %

286.0 + 24 y% + 2225 – 25 y% = 2430

2511 – y% = 2430 (1 mark)

Analysis answers
 81 = y% (1 mark)

Therefore the percentage of the lightest isotope present is 81%

10.1.3. Molecular mass spectrometry

(1 mark for calculations, 1 mark for empirical formula, 1 mark for molecular formula of each unknown)

Unknown A C H N
(1-aminopropane) Mass in 100 g 61.02 15.25 23.73
Moles in 100 g 5.09 15.25 1.70
Ratio 3 9 1

Empirical formula = C3H9N

Molecular weight of empirical formula = 59 = M+, therefore molecular formula = C3H9N

Unknown B C H N O

(caffeine) Mass in 100 g 49.48 5.15 28.87 16.49

Moles in 100 g 4.12 5.15 2.06 1.03
Ratio 4 5 2 1

Empirical formula = C4H5N2O

Molecular weight of empirical formula = 97; M+ = 194, therefore molecular formula = C8H10N4O2

Unknown C C H Cl
(1,4- Mass in 100 g 49.02 2.74 48.23
dichlorobenzene) Moles in 100 g 4.09 2.74 1.36
Ratio 3 2 1

Empirical formula = C3H2Cl

Molecular weight of empirical formula = 73.5; M+ = 146/148/150, therefore molecular formula = C6H4Cl2

BONUS MARK – The mass spectrum of unknown C appears to have three molecular ion peaks owing to the
common isotopes of Cl, 35Cl and 37Cl which are found naturally in a 3:1 ratio. As the unknown contains two
chlorine atoms, this results in three possible combinations of these isotopes in the molecule.

Molecular weight of molecule

Chlorine Isotopes in unknown C Probability
containing these isotopes
35
Cl : 35Cl 146 3×3=9
35 37
Cl : Cl 148 3×1=3
37
=6
Cl : 35Cl 148 1×3=3
37
Cl : 37Cl 150 1×1=1

Analysis answers
10.2 Infra-red spectroscopy
Compound A = ethanoic acid (1 mark for molecule with C-H, O-H and C=O, 1 mark for correct structure)
Compound B = ethanol (1 mark for molecule with C-H and O-H, 1 mark for correct structure)
Compound C = propanone (1 mark for molecule with C-H and C=O, 1 mark for correct structure)
Compound D = ethyl ethanoate (1 mark for molecule with C-H and C=O, 1 mark for correct structure)
Possible alternative structures for;
Compound C = propanal (1 mark)
Compound D = methyl propanoate, propyl methanoate or iso-propyl methanoate (1 mark)

Analysis answers