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Mass Spectrometry Coursework

1. Deduce what the major fragmentation process would be for the three compounds shown below. Identify which fragments are most likely to observed under EIMS, and calculate their m/z values.

1853_Mass Spectrometry.jpg

2. Below is shown the EIMS of methylcyclohexane. Locate the following information on it.

(i) The molecular ion

(ii) The base peak

(iii) The ion created by loss of a C3H7 radical from the molecular ion.

818_Mass Spectrometry1.jpg

3. Below is shown a simulated EIMS of a compound with formula C8H10. Explain the origin of peaks at

(i) m/z = 91

(ii) m/z = 65

2362_Mass Spectrometry2.jpg

4. The simulated EIMS spectrum of an alcohol is shown below. The signal at m/z = 74 can be assumed to be the molecular ion. Identify the alcohol and suggest identities for the other ions in the spectrum.

631_Mass Spectrometry3.jpg

5. The simulated EIMS spectrum shown below is that of an alkyl halide. What is the molecular formula of this compound? Identify the structures of the all the ions detected.

2033_Mass Spectrometry4.jpg

6. Identify the compound with molecular formula C5H10O2 shown in the simulated EIMS spectrum below.

1982_Mass Spectrometry5.jpg

7. The EIMS spectra of 3-methyl-2-pentanone and 4-methyl-2-pentanone can be told apart from theMcLafferty rearrangements which are observable. Explain.

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