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.
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.
This book serves as an introduction to
tandem mass spectrometry (MS/MS) and its role in molecular characterization in
chemical and biological research areas. It is tailored to professionals and
students alike and assesses the application of MS/MS in studying complex
molecules such as drugs, metabolites, carbohydrates, and proteins. The authors
explain how tandem mass spectrometry can provide detailed structural information
and insights into post-translational modifications. This resource is ideal for
those looking to understand the powerful applications of MS/MS in molecular
biology and chemistry, with emphasis on its versatility in biological and
pharmaceutical sciences.
Author(s): Ana Varela Coelho
and Catarina de Matos Ferraz Franco