E0220 Mass Spectrometry

Faculty of Science
Spring 2025
Extent and Intensity
2/0/0. 2 credit(s) (plus extra credits for completion). Type of Completion: zk (examination).
In-person direct teaching
Teacher(s)
doc. RNDr. Zdeněk Šimek, CSc. (lecturer)
Mgr. Jan Kuta, Ph.D. (lecturer)
Mgr. Jiří Kohoutek, Ph.D. (lecturer)
Mgr. Petr Kukučka, Ph.D. (lecturer)
Guaranteed by
doc. RNDr. Zdeněk Šimek, CSc.
RECETOX – Faculty of Science
Contact Person: doc. RNDr. Zdeněk Šimek, CSc.
Supplier department: RECETOX – Faculty of Science
Prerequisites
Knowledge of analytical chemistry at the basic lecture level is assumed.
Course Enrolment Limitations
The course is also offered to the students of the fields other than those the course is directly associated with.
fields of study / plans the course is directly associated with
Course objectives
The main learning objective of the course is to explain an elementary principle and theory of mass spectrometric techniques and to demonstrate the matter on practical examples utilizing modern instrumentation. Students will acquire the expertise necessary to correctly select a mass analyzer suitable for a given type of analysis and to set and optimize experimental conditions. This type of expertise is applicable to a wide range of disciplines or in private companies.
Learning outcomes
Students completing the course will be able to:

- understand the basic principle and the most frequent use of mass spectrometry techniques in scientific research;

- comprehend practical and basic technical aspects of various types of mass analyzers, ionization techniques and ion detectors;

- explain principal mechanisms governing chemistry of ions in the gaseous phase, processes of ion dissociation during various ionization techniques and protocols;

- evaluate and interpret mass spectra of common organic and inorganic substances obtained using conventional ionization techniques;

- assess advantages and limitations of mass spectrometry hyphenated with other analytical techniques, in particular separation techniques of GC/MS, (U)HPLC/MS, CE/MS, ICP/MS;

- select a suitable mass spectrometry technique for qualitative and quantitative determination of selected analytes in a given sample;

- set experimental conditions of ion source and mass analyzer to achieve optimal sensitivity, selective recording of desired types of ions, robust and reproducible analysis;

- focus on the current trends in mass spectrometry and perhaps more easily choose a future direction to further develop expertize in the area of mass spectrometry
Syllabus
  • 1. Introduction to mass spectrometry (MS), historical overview of MS development, significance and utilization.
  • 2. Principles of mass spectrometry techniques, basic concepts. General scheme of mass spectrometer. Mass spectrum, resolution and accuracy.
  • 3. Ionization techniques, types of ion sources, overview of soft and hard ionization techniques. Comparison of ionization techniques.
  • 4. Electronic ionization (EI), chemical ionization (CI), electrospray ionization (ESI), atmospheric pressure chemical ionization (APCI), photoionization (APPI), desorption ionization (DESI), laser ionization (MALDI), induced plasma ionization (ICP).
  • 5. Instrumentation – components of mass analyzer: vacuum systems, ion optics, ion mobility and detectors.
  • 6. Mass analyzers: ion beam devices - magnetic and electrostatic sector analyzers, Time-of-flight Analyzer (ToF), Quadrupole Analyzer (Q, QqQ) and ion trapping devices – ion trap (IT), linear ion trap (LIT), ion cyclotron resonance (FT-ICR),electrostatic orbital trap (Orbitrap).
  • 7. sample introduction - direct input, hyphenation with separation techniques.
  • 8. Tandem mass spectrometry (MS / MS), collision-induced dissociation (CID), monitoring of selected ion transition (SRM), basic mechanisms of ion fragmentation.
  • 10. Interpretation of mass spectra, basic rules, practical demonstration and exercises.
  • 11. Hyphenated techniques. Connection with separation techniques GC/MS, LC/MS, CE/MS. Data processing.
  • 12. Practical aspects and applications of HPLC/MS, UHPLC/MS.
  • 13. Practical aspects and applications of GC/MS, ICP/MS
Literature
    recommended literature
  • Mass spectrometry : instrumentation, interpretation, and applications. Edited by Rolf Ekman. Hoboken, N.J.: John Wiley & Sons, 2009, xvi, 371. ISBN 9780471713951. info
  • Gross, J. H. Mass spectrometry : A Textbook; Springer, 2006 2nd, 518. ISBN 978-3-540-40739-3.
  • BARKER, J. Mass Spectrometry. 2nd Ed. Cichester: J. Wiley, 1999. Analytical Chemistry by Open Learning. ISBN 0 471 96762 9. info
  • MCLAFFERTY, F.W. and F. TUREČEK. Interpretation of Mass Spectra. 4th ed. Sausalito , CA: University Science Book, 1993. ISBN 0-935702-25-3. info
  • WONG, P. S. H. and R. G. COOKS. Ion Trap Mass Spectrometry. Current Separations. West Lafayette, USA: Bioanalytical Systems, Inc., 1997, vol. 16, p. 85. info
  • KITSON, F. G., B. S. LARSEN and C. N. MCEWEN. Gas Chromatography and Mass Spectrometry, A Practical Guide. San Diego: Academic Press, 1996. ISBN 0-12-483385-3. info
Teaching methods
The lessons are performed in the form of PowerPoint presentation. Prior each lecture, students will receive printed materials for writing their own notes and queries. The comprehensibility of the difficult parts is tested interactively.
Assessment methods
The presence at the lecture is not compulsory, but highly recommended for facile and fluent understanding of lectured topics. The emphasis is placed on interaction with students to encourage discussion on the matter. Newly acquired knowledge is verified by an oral exam.
Language of instruction
Czech
Follow-Up Courses
Further comments (probably available only in Czech)
The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.
Teacher's information
https://is.muni.cz/auth/predmet/sci/akreditace2018jaro/E0220?lang=cs;setlang=cs
Doc. RNDr. Zdeněk Šimek, CSc. Masaryk University Research Centre for Toxic Compounds in the Environment Kamenice 753/5, pavilion D29/418 625 00 Brno Czech Republic zdenek.simek@recetox.muni.cz office: (+420) 549 49 4964
The course is also listed under the following terms Spring 2020, Spring 2021, Spring 2022, Spring 2023, Spring 2024.
  • Enrolment Statistics (Spring 2025, recent)
  • Permalink: https://is.muni.cz/course/sci/spring2025/E0220