[ 491ANCHMSPU19 ] UE (*)Interpretation of MS and IR Spectra

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Workload Ausbildungslevel Studienfachbereich VerantwortlicheR Semesterstunden Anbietende Uni
1,5 ECTS M2 - Master 2. Jahr Chemie Markus Himmelsbach 1 SSt Johannes Kepler Universität Linz
Quellcurriculum Masterstudium Chemistry and Chemical Technology (CCT) 2019W
Ziele (*)The exercises cover topics regarding successful hyphenation of separation techniques with mass spectrometry, interpretation of mass spectra signals, understanding MS fragmentation patterns as well as the interpretation of IR spectra.
Lehrinhalte (*)1. Hyphenations: Information on GC-MS, LC-MS and CE-MS are presented, focusing on very important practical restrictions (solvents, additives, parameters) and optimizing the hyphenation for best data quality. Terms like total ion current chromatogram TIC(C), extracted ion chromatogram EIC and base peak chromatogram BPC are explained and used.

2. Interpretation of mass spectra signals: Learning to get the right information from complex mass spectra, recognizing the adducts, charge states, isotopes and fragments. Examples are shown how to use isotope patterns for structure elucidation. Benefits and limitations regarding MS resolution and accurate mass are evaluated.

3. MS fragmentation patterns: Typical cleavages, rearrangements and eliminations are presented, and examples of different organic molecules are analyzed. CID of peptides is also covered within this chapter.

4. Interpretation of IR spectra deals with the most important functional groups and their characteristic vibrational bands, examples are shown and exercised.

Beurteilungskriterien (*)Written examination
Lehrmethoden (*)PowerPoint presentation. Lecture slides will be provided online. Joint interpretation of spectra.
Abhaltungssprache Englisch
Literatur (*)Lecture slides will be provided online.

Optional literature:

[1] R. Martin Smith: Understanding Mass Spectra, Second Edition, John Wiley & Sons, Inc., Hoboken, New Jersey, 2004

[2] Ernö Pretsch, Philippe Bühlmann, Martin Badertscher: Structure Determination of Organic Compounds - Tables of Spectral Data, Fourth Edition, Springer-Verlag, Berlin, Heidelberg, 2009

[3] Brian C. Smith: Infrared Spectral Interpretation: a sytematic approach, CRC Press Inc, Boca Raton, Florida, 1998

Lehrinhalte wechselnd? Nein
Äquivalenzen (*)491WACHSE1U10: UE Exercises Spectroscopy and Structure Elucidation II (1.6 ECTS)
Teilungsziffer 25
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