有机化合物波谱解析课件 质谱部分习题及答案.pdfVIP

MS problems 1. An organic compound (A) is composed of carbon, hydrogen and nitrogen, with carbon constituting over 60% of the mass. It shows a molecular ion at m/z=112 amu in the mass spectrum. Answer the following questions. 1. Write a plausible Molecular Formula for compound A: 2. How many Rings + Double Bonds must be present in compound A? Answer 1.C H N 2 rings and/or double bonds 6 12 2 2. An compound A, composed only of carbon, hydrogen and oxygen, also shows a molecular ion at m/z=112 amu. Write a plausible Molecular Formula for compound B, assuming it has three double bonds and no rings. Answer C H O 6 8 2 3. Compound A is composed only of carbon, hydrogen and oxygen, and shows a molecular ion at m/z=180 amu. Carbon accounts for 60% of the molecular mass. (1) Write a plausible Molecular Formula for compound A. (2) How many Rings + Double Bonds must be present in compound A? Answer (1) C H O (2) 6 rings and/or double bonds 9 8 4 4. While running a new reaction, a chemist notices the evolution of a gas. A sample of this gas gave a mass spectrum in which the molecular ion (m/z = 44) was the largest ion peak. The only other significant peaks were observed at m/z = 28 m/z = 16. What is this gas? Answer carbon dioxide CO2 5. A liquid compound gave a mass spectrum showing a strong molecular ion at m/z = 156. The only fragment ions are seen at m/z = 127 29. Suggest a structure for this compound. Answer ethyl iodide 6. A liquid compound gave a mass spectrum in which the molecular ion appears as a pair of equal intensity peaks at m/e = 122 m/z = 124. Small fragment ion peaks are seen at m/z = 107 109 (equal intensity), and at m/z = 79, 80, 81, 82 (all roughly the same size). Large fragment ions are seen at m/z = 43 (base peak),