|
Lecturer(s)
|
-
Rouchal Michal, doc. Ing. Ph.D.
|
|
Course content
|
1. Mass spectrometry (MS) - introduction to instrumentation, ionization techniques, mass analyzers. 2. Introduction to the interpretation of spectra obtained by electron ionization (EI) - nitrogen rule, molecular ion, basic peak, general procedure of interpretation of EI spectra, basic methods of bond cleavage, basic types of fragmentation. 3. Interpretation of EI spectra of selected types of organic compounds - hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and their esters, nitrogenous heterocyclic compounds. 4. Introduction to the interpretation of MS spectra obtained by soft ionization techniques - the rule of even number of electrons, types of ions and molecular adducts in positive and negative scanning mode, determination of mol. mass, the effect of the presence of isotopes. 5. Interpretation of ESI (APCI) -MS spectra of selected types of organic compounds. 6. Interpretation of ESI (APCI) -MSn spectra of selected types of organic compounds. 7. Gas chromatography with flame-ionization detection - sample preparation, application of standards, qualitative and quantitative analysis of organic compounds in selected matrices. 8. Gas chromatography with mass-spectrometric detection - sample preparation, application of spectrum libraries, qualitative and quantitative analysis of organic compounds in selected matrices. 9. Liquid chromatography with UV-Vis detection - sample preparation, application of standards, choice of mobile phase, qualitative and quantitative analysis of organic compounds in selected matrices. 10. Liquid chromatography with mass spectrometric detection - sample preparation, application of selected types of MS scans in the identification and quantitative analysis of selected organic substances. 11. Infrared spectroscopy (IR) in the analysis of organic compounds - introduction to instrumentation, preparation and analysis of solid and liquid samples, introduction to the interpretation of spectra. 12. Interpretation of infrared spectra of selected types of organic compounds - hydrocarbons, aromatic compounds, C-O-bonded compounds, nitrogenous heterocyclic compounds. 13. Complete structural characterization of selected types of organic compounds using spectral methods (IR, MS, NMR). 14. Complete structural characterization of selected types of organic compounds using spectral methods (IR, MS, NMR).
|
|
Learning activities and teaching methods
|
Lecturing, Simple experiments
- Home preparation for classes
- 14 hours per semester
- Preparation for examination
- 30 hours per semester
- Preparation for course credit
- 20 hours per semester
- Participation in classes
- 56 hours per semester
|
| learning outcomes |
|---|
| Knowledge |
|---|
| describe in detail the individual parts of a mass spectrometer (ionization source, mass analyzer, detector) |
| describe in detail the individual parts of a mass spectrometer (ionization source, mass analyzer, detector) |
| characterize the basic rules for solving mass spectra obtained using electron ionization |
| characterize the basic rules for solving mass spectra obtained using electron ionization |
| characterize the basic rules for solving mass spectra obtained using soft ionization techniques (ESI, APCI, MALDI, etc.) |
| characterize the basic rules for solving mass spectra obtained using soft ionization techniques (ESI, APCI, MALDI, etc.) |
| describe the influence of the used ionization technique and the mass analyzer on the appearance of the obtained mass spectrum |
| describe the influence of the used ionization technique and the mass analyzer on the appearance of the obtained mass spectrum |
| decide on the appropriateness of using a given method (GC-MS, HPLC-MS, CZE-MS, etc.) for a specific matrix and analyte |
| decide on the appropriateness of using a given method (GC-MS, HPLC-MS, CZE-MS, etc.) for a specific matrix and analyte |
| Skills |
|---|
| prepare a sample for a specific type of analysis (GC-MS, LC-MS) |
| prepare a sample for a specific type of analysis (GC-MS, LC-MS) |
| design and optimize a method suitable for the analysis of a given type of analyte |
| design and optimize a method suitable for the analysis of a given type of analyte |
| describe in detail the ions occurring in the first-order mass spectra obtained using different ionization methods |
| describe in detail the ions occurring in the first-order mass spectra obtained using different ionization methods |
| suggest fragmentation pathways observed in tandem mass spectra (MS/MS, MS3, MS4, etc.) |
| suggest fragmentation pathways observed in tandem mass spectra (MS/MS, MS3, MS4, etc.) |
| propose the structure of the given compound based on the measured mass spectra (MS, MS/MS) |
| propose the structure of the given compound based on the measured mass spectra (MS, MS/MS) |
| teaching methods |
|---|
| Knowledge |
|---|
| Lecturing |
| Lecturing |
| Dialogic (Discussion, conversation, brainstorming) |
| Dialogic (Discussion, conversation, brainstorming) |
| Skills |
|---|
| Simple experiments |
| Simple experiments |
| Practice exercises |
| Practice exercises |
| assessment methods |
|---|
| Knowledge |
|---|
| Grade (Using a grade system) |
| Written examination |
| Written examination |
| Grade (Using a grade system) |
| Oral examination |
| Oral examination |
|
Recommended literature
|
-
HOFFMANN, E., STROOBANT, V. Mass Spectometry: Principles and Applications. 3rd Ed. John Willey & Sons, 2007. ISBN 13 978-0470033111.
-
Milata V. et al. Spektrálne metódy v chémii. Bratislava, STU, 2004. ISBN 80-227-2049-6.
-
ROBINSON, J.W. Undergraduate Instrumental Analysis. 7th Ed. Boca Raton: CRC Press, 2014. ISBN 978-1-4200-6135-2.
-
VITHA, M.F. Chromatography: Principles and Instrumentation. 1st Ed.. John Willey & Sons, 2016. ISBN 978-1119270881.
-
ZÁRUBA, K. Analytická chemie. Díl 2.. Praha: VŠCHT, 2016. ISBN 978-80-7080-951-8.
-
ZÁRUBA, K. Analytická chemie. Praha: VŠCHT Praha, 2016. ISBN 978-80-7080-950-1.
|