The course on the Interpretation of MS-MS spectra can be provided as a fixed program for a two-day course or as a tailor-made course for two or three days. In the latter case, the interpretation of MS-MS spectra from your own laboratory or institute may be implemented in the course program. In most cases, such examples are integrated into existing modules. In this way, the focus of this course can also be adapted to your application areas, e.g., strategies in metabolite identification.
The format of the course is interactive. This means that there will be lectures, which can be freely interrupted for questions and/or discussions, and exercises with interpretation examples, case studies, and other illustrations of the theory. These exercises are first done individually and subsequently discussed in the group.
This course can be provided as an in-house course directly from hyphen MassSpec, but is also available as open-registration courses through AvansPlus in the Netherlands (in Dutch), and through the local Waters offices in Sweden and Denmark. See Agenda for more information on this.
In an in-house or in-company course, data from your own laboratory may be implemented in the course program. These data must be made available to hyphen MassSpec a few weeks prior to the course and will e part of the material.
For more information: Contact hyphen MassSpec Consultancy
Typical Outline of a Two-day Course
Session 1: Introduction. Information from mass spectra. Mass, adducts, isotopes.Session 2: Fragmentation techniques.This session deals with the information that can be retrieved from a mass spectrum. Topics discussed are: average and monoisotopic mass, mass defects, double-bound equivalents, the nitrogen rule, isotope peaks, adduct ions and adduct-bound dimers.
The process of collision-induced dissociation (CID) is discussed. Analytical applications of CID in in-source CID and in triple-quadrupole, ion-trap and quadrupole--time-of-flight hybrid instruments is discussed.
Session 3: General aspects of fragmentation.
Session 4: Fragmentation of even-electron positive ions: 1. Oxygen compounds -1.The process of collision-induced dissociation (CID) is discussed. Analytical applications of CID in in-source CID and in triple-quadrupole instruments is discussed. Most of the course is devoted to the interpretation of MS-MS spectra derived from even-electron positive ions, especially protonated molecules. Basic fragmentation mechanisms as well as the ability to discuss fragmentation as charge-site-directed process are investigated.
Session 5: Fragmentation of even-electron positive ions: 2. Oxygen and sulphur compounds -2.The typical fragmentation expected in the MS-MS of various compound classes is discussed and illustrated with typical examples. This session deals with alcohols, ethers, glycosides, aldehydes, ketones, flavonoids, and steroids. Examples are taken from both positive-ion and negative-ion MS-MS spectra, whenever relevant.
Session 6: Fragmentation of even-electron positive ions: 3. Nitrogen compounds -1.The typical fragmentation expected in the MS-MS of various compound classes is discussed and illustrated with typical examples. This session deals with carboxylic acids, esters, triacylglycerols, as well as various sulfur compounds, e.g., sulfonamide antibiotics. Examples are taken from both positive-ion and negative-ion MS-MS spectra, whenever relevant.
Session 7: Fragmentation of even-electron positive ions: 4. Nitrogen compounds -2.The typical fragmentation expected in the MS-MS of various compound classes is discussed and illustrated with typical examples. This session deals with amines, cyclic amines, quaternary ammonium compounds, and aromatic nitrogen compounds like triazines. Examples are taken from both positive-ion and negative-ion MS-MS spectra, whenever relevant.
The typical fragmentation expected in the MS-MS of various compound classes is discussed and illustrated with typical examples. This session deals with amides, carbamates, halogenides, nitro-compounds, nitrosamines, and some aromatic heterocyclic ring compounds. Examples are taken from both positive-ion and negative-ion MS-MS spectra, whenever relevant.
Session 8: Strategies for confirmation and identification using LC-MS-MS.
Optional: Session 9 and 10: Strategies in structure elucidation of metabolites and other related substances.In this session, various strategies for confirmation of identity and identification are discussed. Attention is paid to the various modes of operation of triple quadrupole, ion-trap, and quadrupole--time-of-flight hybrid instruments. The potential of various acquisition modes for confirmation of identity are explored and illustrated.
Important issues in structure elucidation are discussed. The discussion is focused to strategies for the identification of drug metabolites and other related substances. The application of various MS-MS scan modes (product-ion, precursor-ion, neutral loss) in screening and structure elucidation is discussed and illustrated with examples. Both Phase-I and Phase-II metabolites are covered. Advanced data-acquisition strategies are discussed and illustrated with examples.