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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
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
