Experiment 1 Isolation and ldentification of Catteine Mass Spectrometry Analysis

Question

Experiment 1 Isolation and ldentification of Catteine Mass Spectrometry Analysis 1. Give the chemical formula of the ions with the following m/z values in the mass spectrum of dichloromethane. 86 2. Label and attach your mass spectrum to your report. 3. Identify the parent ion of caffeine. What is the m/zvalue? 4. Suggest a chemical formula for the species that gives an ion ONE mass unit greater than the parent ion. 5. Suggest a chemical formula for the neutral fragment lost from the parent ion of caffeine that produces the ion with an m/zof 165. 10

Explanation / Answer

1. Using the atomic masses 12C = 12.00 amu; 1H = 1.00 amu; 35Cl = 35.00 amu, and 37Cl = 37.00 amu we can analyze the mass spectrum of dichloromethane. Since, the chlorine has two abundant isotopes. It will show more than one molecular ion. Further, accurate identification of ions are possible by mass measurement. The m/z value and corresponding ions are as follows:

88               CH237Cl2+

86               CH235Cl37Cl+ and CH237Cl35Cl+

84               CH235Cl2+

51               CH237Cl+

49               CH235Cl+

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