14. Shown below are the mass spectra (without data tables) of four molecules. (The structure of each molecule is shown on the spectrum.) Mark the [M]* peak for each, and indicate the molecular weight of the molecule. Relative Intensity 100- 20 0-fmrtn 10 100- 8 8 $ & 0- a. 10 b. 20 20 30 40 50 60 m/z m/z 70 80 90 100 100 100- Relative Intensity 80 Relative Intensity 8 20 100- 8 8 9 20 10 15 20 25 30 e 0- -8 35 40 45 50 55 60 65 70 m/z m/z Based on the five mass spectra you have seen, describe how one might identify the [M]* peak (molecular ion peak) on the mass spectrum of an unknown compound.

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**14. Shown below are the mass spectra (without data tables) of four molecules. (The structure of each molecule is shown on the spectrum.)**

**a. Mark the [M]^+ peak for each, and indicate the molecular weight of the molecule.**

There are four mass spectra, each with a chemical structure displayed in the top left corner. The x-axis of each spectrum is labeled "m/z" (mass-to-charge ratio), and the y-axis is labeled "Relative Intensity."

1. **First Spectrum (Top Left)**
   - Structure: A hexagon (benzene ring).
   - Main peak (likely [M]^+ peak) around 78 m/z.
   - Additional peaks at lower m/z values.

2. **Second Spectrum (Top Right)**
   - Structure: A ketone group (R-C=O).
   - Main peak around 58 m/z.
   - Additional peaks at lower m/z values.

3. **Third Spectrum (Bottom Left)**
   - Structure: Cyclohexanone (hexane ring with a ketone group).
   - Main peak around 98 m/z.
   - Additional peaks at lower m/z values.

4. **Fourth Spectrum (Bottom Right)**
   - Structure: An aliphatic chain.
   - Main peak around 72 m/z.
   - Additional peaks at lower m/z values.

**b. Based on the five mass spectra you have seen, describe how one might identify the [M]^+ peak (molecular ion peak) on the mass spectrum of an unknown compound.**

To identify the [M]^+ peak on a mass spectrum of an unknown compound, look for the peak with the highest m/z value that also possesses significant relative intensity. This peak generally corresponds to the molecular weight of the intact molecule. Fragment ion peaks are typically observed at lower m/z values and help in determining the structure by indicating possible fragmentation patterns of the molecule.
Transcribed Image Text:**14. Shown below are the mass spectra (without data tables) of four molecules. (The structure of each molecule is shown on the spectrum.)** **a. Mark the [M]^+ peak for each, and indicate the molecular weight of the molecule.** There are four mass spectra, each with a chemical structure displayed in the top left corner. The x-axis of each spectrum is labeled "m/z" (mass-to-charge ratio), and the y-axis is labeled "Relative Intensity." 1. **First Spectrum (Top Left)** - Structure: A hexagon (benzene ring). - Main peak (likely [M]^+ peak) around 78 m/z. - Additional peaks at lower m/z values. 2. **Second Spectrum (Top Right)** - Structure: A ketone group (R-C=O). - Main peak around 58 m/z. - Additional peaks at lower m/z values. 3. **Third Spectrum (Bottom Left)** - Structure: Cyclohexanone (hexane ring with a ketone group). - Main peak around 98 m/z. - Additional peaks at lower m/z values. 4. **Fourth Spectrum (Bottom Right)** - Structure: An aliphatic chain. - Main peak around 72 m/z. - Additional peaks at lower m/z values. **b. Based on the five mass spectra you have seen, describe how one might identify the [M]^+ peak (molecular ion peak) on the mass spectrum of an unknown compound.** To identify the [M]^+ peak on a mass spectrum of an unknown compound, look for the peak with the highest m/z value that also possesses significant relative intensity. This peak generally corresponds to the molecular weight of the intact molecule. Fragment ion peaks are typically observed at lower m/z values and help in determining the structure by indicating possible fragmentation patterns of the molecule.
The **mass spectrum** of acetone is a tally of the number of ions of each mass (m/z) that hit the detector when a large number of acetone molecules are run through the mass spectrometer. The **peak intensity** (peak height) tells you the relative number of ions of that weight that hit the detector.

### Data Table
| m/z  | Peak Intensity |
|------|----------------|
| 14.0 | 2.9            |
| 15.0 | 23.1           |
| 26.0 | 3.5            |
| 27.0 | 5.7            |
| 29.0 | 3.1            |
| 38.0 | 2.2            |
| 39.0 | 4.2            |
| 41.0 | 2.0            |
| 42.0 | 9.1            |
| 43.0 | 100.0          |
| 44.0 | 3.4            |
| 58.0 | 63.8           |
| 59.0 | 3.1            |

### Graph Description
The graph displays the mass spectrum of acetone, plotting m/z (mass-to-charge ratio) on the x-axis against relative intensity on the y-axis. Each vertical line (or peak) represents a different ion detected by the spectrometer.

- The tallest peak occurs at m/z 43.0 with 100.0 intensity, showing it's the most abundant ion.
- Another significant peak is at m/z 58.0 with an intensity of 63.8.
- Other smaller peaks are visible at m/z values of 15.0, 27.0, and 42.0, among others, indicating various ion fragments of acetone. 

These peaks help in identifying the composition and structure of acetone molecules.
Transcribed Image Text:The **mass spectrum** of acetone is a tally of the number of ions of each mass (m/z) that hit the detector when a large number of acetone molecules are run through the mass spectrometer. The **peak intensity** (peak height) tells you the relative number of ions of that weight that hit the detector. ### Data Table | m/z | Peak Intensity | |------|----------------| | 14.0 | 2.9 | | 15.0 | 23.1 | | 26.0 | 3.5 | | 27.0 | 5.7 | | 29.0 | 3.1 | | 38.0 | 2.2 | | 39.0 | 4.2 | | 41.0 | 2.0 | | 42.0 | 9.1 | | 43.0 | 100.0 | | 44.0 | 3.4 | | 58.0 | 63.8 | | 59.0 | 3.1 | ### Graph Description The graph displays the mass spectrum of acetone, plotting m/z (mass-to-charge ratio) on the x-axis against relative intensity on the y-axis. Each vertical line (or peak) represents a different ion detected by the spectrometer. - The tallest peak occurs at m/z 43.0 with 100.0 intensity, showing it's the most abundant ion. - Another significant peak is at m/z 58.0 with an intensity of 63.8. - Other smaller peaks are visible at m/z values of 15.0, 27.0, and 42.0, among others, indicating various ion fragments of acetone. These peaks help in identifying the composition and structure of acetone molecules.
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