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Algorithmic Mass Spectrometry
This advanced PDF explores mass spectrometry from the computational and algorithmic perspective. Peptide de novo sequencing, database searching, and comparing mass spectra using significance testing, such as p-values and E-values, are discussed in this note. It also covers isotope distributions and fragmentation patterns to shed light on the mathematical aspects behind its analysis of mass spectrometry data. It reaches more complex dimensions and discusses issues like glycan sequencing, machine learning, and decomposition of the isotope pattern. Finally, the note is an invaluable resource for anyone interested in mass spectrometry and computational methods, providing a foundation for yet more complicated applications in bioinformatics and structural biology.
Author(s): Sebastian Bocker
253 Pages 
Mass Spectrometry by Prof. Peter B. OConnor
Prof. Peter B. O'Connor's note on mass spectrometry. It deals with the interpretation of mass spectra; it would be particularly useful for any persons undertaking the analysis of unknown samples. It starts by dealing with a range of techniques, among them being electron impact ionization, MS/MS fragmentation, and ion sources. In addition, the note goes into practical implementations of mass spectrometry in real-world applications such as protein complex analysis, hydrogen and deuterium exchange, and imaging mass spectrometry. The course takes the student through advanced topics like 2D FTICR mass spectrometry, an expansive full view of modern mass spectrometric methods and their practical use in research and industry.
Author(s): Prof. Peter B. OConnor
NA Pages
An Introduction to Mass Spectrometry
This note gives a fairly accessible introduction to the principles and applications of mass spectrometry. It starts by outlining important topics, such as sample introduction, ionization techniques (electron and chemical ionization), and mass analyzers. It then discusses the different types of detectors and the vacuum systems required for successful analysis. It offers a tutorial overview of how mass spectrometry can be applied to the analysis of complex chemical systems, including an introduction to data systems and interpretation techniques. This note is perfect for newcomers in the analytical chemistry arena seeking to get a good grasp of the basics of mass spectrometry.
Author(s): Scott E. Van Bramer
38 Pages