C6790en Mass spectrometry

Přírodovědecká fakulta
jaro 2024
Rozsah
2/0/0. 2 kr. (příf plus uk plus > 4). Doporučované ukončení: zk. Jiná možná ukončení: k.
Vyučující
doc. RNDr. Pavel Brož, Ph.D. (přednášející)
prof. RNDr. Jan Vřešťál, DrSc. (přednášející)
Garance
doc. RNDr. Pavel Brož, Ph.D.
Ústav chemie – Chemická sekce – Přírodovědecká fakulta
Dodavatelské pracoviště: Ústav chemie – Chemická sekce – Přírodovědecká fakulta
Předpoklady
Physical Chemistry I. and II., Chemical structure, Quantum chemistry I. (C3140,C4020, C5020, C4060)
Omezení zápisu do předmětu
Předmět je nabízen i studentům mimo mateřské obory.
Mateřské obory/plány
předmět má 28 mateřských oborů, zobrazit
Cíle předmětu
The aim of the course is to provide students with basic information on mass spectrometry and its use for the study of chemical structure and for physicochemical and analytical purposes. The student will get an overview of individual mass spectrometry techniques and ability to analyze mass spectra. This knowledge will allow him to be oriented when using the method in practice.
Výstupy z učení
At the end of the course, student will be able to:
- be knowledgeable in the use of mass spectrometry in chemistry
- choose a suitable mass spectrometry technique with respect to the nature of the analyzed substance
- use a mass spectrometer for qualitative and quantitative analysis and for obtaining physicochemical information on chemical substances
- analyze mass spectra, use mass spectral databases and solve chemical structure
Osnova
  • 1. Mass spectrometry as spectroscopic method. Physico-chemical and analytical information in mass spectrometry. Base peak and molecular peak.
  • 2. Electron ionisation. Ion source, critical potentials, fragmentation. Statistical theory of fragmentation. Field ionisation.
  • 3. Main types of reactions of monomolecular decay of ions of organic compounds. Cleavage of bonds. Rearangements.
  • 4. Methods of chemical ionisation (CI a NCI). Ionisation at atmospheric pressure (API a APCI). Fragmentation of "quasimolecular" ions. Condensation reaction.
  • 5. Methods of desorption: electric field, laser, plasma 252Cf, fast atoms and ions.
  • 6. Mass analysers I. Introduction to vacuum technique. Sector mass spectrometers. Double focusing instruments. Detection of metastable ions.
  • 7. Mass analysers II. Dynamic analysers. Quadrupole mass spectrometer. Monopole analyser. Ion trap. Ion cyclotron resonance. Time-of-flight mass spectrometer. Detectors of ions.
  • 8. Coupling of chromatographic methods with mass spectrometry I. Gas chromatography - GC/MS, SFC/MS, TLC/MS.
  • 9. Coupling of chromatographic methods with mass spectrometry II. Liquid chromatography - LC/MS: thermospray, electrospray, particle beam.
  • 10.Tandem mass spectrometry. Collision activation. Arrangement of sector mass spectrometers. Ion trap as tandem. Interpretation of mass spectra.
  • 11.Quantitative mass spectrometry of organic compounds. Types of spectra. Isotopic peaks. Dilution analysis.
  • 12.Mass spectrometry in inorganic chemistry. Analysis of surfaces of solids - SIMS. Trace analysis - SSMS, ICP-MS.
  • 13.High temperature mass spectrometry. Analysis of equilibrium vapour pressures. Thermodynamic data from mass spectrometry. Thermal desorption mass spectrometry (DIP).
  • 14.Special mass spectrometries: membrane introduction (MIMS), electrochemical introduction (DEMS). Good laboratory praxis. Mass spectra libraries.Present state of mass spectrometry instrumentation.
Literatura
  • BARKER, James. Mass spectrometry : analytical chemistry by open learning. Edited by David J. Ando. 2nd ed. Chichester: John Wiley & Sons, 1998, xxii, 509. ISBN 0-471-96764-5. info
Výukové metody
Theoretical preparation in lectures containing many practical examples. Control questions on the subject taught will continuously be given the students for working out.
Metody hodnocení
Oral examination and analysis of 2 mass spectra. The worked out control questions on the subject taught will also be the part of the assessment.
Vyučovací jazyk
Angličtina
Informace učitele
To successfully complete the course, knowledge of the aforementioned material including the ability to solve practical examples is required. The main topics are: methods of ionization and desorption. Methods of ion separation: sector mass analyzers, dynamic mass analyzers. Combination of chromatographic methods with mass spectrometry: GC-MS, LC-MS coupling. High-temperature mass spectrometry (DIP, KEMS) and special methods of mass spectrometry (MIMS, DEMS). Quantitative analysis and trace analysis in mass spectrometry. Main types of organic compound decay in mass spectrometer and analysis of mass spectra. Spectral libraries. Knowledge and practical skills to be acquired by the student: The student will be able to understand the problems of mass spectrometry in chemistry. The student will be able to analyze simple spectra and use the mass spectrometer to quantitatively and qualitatively analyze and solve the structure of chemical species.
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