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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 
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
Principles and Applications of Mass Spectrometry
This note presents an overview of mass spectrometry at an advanced level with specific emphasis on its utility in chemistry and biochemistry. Fundamental concepts include ionization, mass analyzers, and dissociation of ions, as well as more advanced topics like ion mobility and fragmentation. The qualitative and quantitative analysis using mass spectrometry and the practical applications in various fields are also considered. This note is designed for advanced students and professionals aiming to gain insights into the role of mass spectrometry as an analytical tool, both in theory and practice.
Author(s): Derek J. Wilson
37 Pages