In mass spectrometry, one generates ions from a
sample to be analyzed. These ions are then separated and quantitatively
detected. The units covered in this notes are as follows : Introduction, Charge
Location and Fragmentation, Ion Separation, Ionization and Desorption,
Biomolecules, Literature, Sources.
Author(s): Peter
M. van Galen and Martin C. Feiters, Department of Organic Chemistry, Molecular
Chemistry Cluster, Institute for Molecules and Materials, Faculty of Science,
Radboud University, Nijmegen
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.
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.