ACH/PHS Mass Spectrometry

Lecturer: Karel Lemr
Lecture: 1 hour/week
Credits: 1
Winter semester
Form of course completion: colloquium

Introduction to mass spectrometry, terminology, an origin of mass spectra; a scheme of mass spectrometer, resolution. Mechanisms of ionization, design of selected ion sources and their application (electron ionization – EI, chemical ionization – CI, atmospheric pressure chemical ionization - APCI, atmospheric pressure photoionization, electrospray ionization – ESI, desorption electrospray ionization – DESI, direct analysis in real time – DART, thermospray – TSP, fast atom (ion) bombardment – FAB, CF-FAB, FIB, field ionization – FI, field desorption – FD, laser desorption ionization – LDI, matrix assisted laser desorption ionization – MALDI, other desorption techniques). Design of mass analyzers – principles and theory of ion separation in a gas phase, fields of applications (sector instrument, quadrupole, ion trap, time of flight, ion cyclotron resonance, orbitrap). Tandem mass spectrometry – instrumentation (MS/MS, MSn). Induced dissociation (CID, SID). Detection and registration of ions, vacuum systems.
Mass spectrometry in a structural analysis. Determination of molecular mass and elemental composition, a utilization of isotopic peaks, accurate mass. Nitrogen rule, double bond equivalent, identification of a structure type and functional groups. Fragmentation of ions after electron ionization, selected fragmentation processes, rearrangements. Metastable ions, overview of fragmentation of selected groups of organic compounds (hydrocarbons, halogen derivatives, alcohols and phenols, ethers, aldehydes and ketones, carboxylic acids, esters, nitrogen and sulfur compounds), procedure of a mass spectra interpretation. Quantitative analysis. Mass spectrometry of inorganic compounds.