Mass Spectrometry and Molecular Analysis

Interpretation of spectra

Seminar, 2.00 ECTS


Course content

- model procedures for interpretation of spetra of chemical compounds
- interpretation and discussion of UV/VIS spectra with practical examples
- interpretation and discussion of IR spectra with practical examples
- theory of isotope distribution in mass spectrometry
- advanced molecule-ion theory in mass spectrometry
- priciple mechanisms of ion fragmentation in GC-MS ionization technique
- priciple mechanisms of ion fragmentation in LC-MS ionization technique
- interpretation and discussion of MS spectra with practical examples
- postulation of molecular structure with the combined innterpretation of UV/VIS, IR and MS spectra

Learning outcomes

The students understand the fundamental mechanisms and formal relationships between chromatographic, electrophoretic and spectrometric techniques. In the field of chromatographic methods they can characterize chromatographic processes with regard to the classification of liquid, gas, gas/liquid, thin-layer chromatography (LC, GC, GLC and DC) and capillary electrochromatography (CE). They know the basic technical structure of LC and GC systems and can describe the individual function modules. According to the separation criteria they are able to differentiate between normal phase (NP - LC), reversed phase (RP - LC), ion exchange (IEX- LC), size-exclusion chromatography (SEC - LC) and hydrophilic interaction chromatography (HILIC) and can apply them goal-oriented. They can successfully apply criteria for the choice of carrier materials and the associated separation method. In GC and GLC the students can explain the fundamental principle of separation of analytes and can choose an appropriate separation column and the associated parameter regime. In electrophoretic procedures, the students can explain the physical principles with regard to the separation criteria of molecular weight and the associated hydrodynamic factor and the charging of analytes and can choose a suitable technology in a specific situation. They know about native and denaturing methods and are able to define suitable separation conditions with regard to the choice of the required puffer systems and the associated pH value ranges. In the field of spectrometric procedures and techniques the students develop competence in the theory of UV/VIS IR-, Raman-, fluorescence- and mass spectrometry. They can differentiate between electron excitation spectra and molecular vibration spectra. They are familiar with the principle of fragmentation of molecules in mass spectrometry. They are able to to choose the suitable procedure of a given task and to plan and carry out the analytical processes. They know how to interpret appropriate spectra, and, thus, can evaluate and interpret the results of their analyses.