Affiliation:
1. Department of Epidemiology and Data Science, Amsterdam UMC, Vrije Universiteit Amsterdam Epidemiology and Data Science Amsterdam The Netherlands
2. I‐Biostat, Data Science Institute Hasselt University Hasselt Belgium
3. Department of Pathology University of Utah School of Medicine Salt Lake City Utah USA
4. V.L. Talrose Institute for Energy Problems of Chemical Physics, N.N. Semenov Federal Research Center for Chemical Physics Russian Academy of Sciences Moscow Russia
Abstract
AbstractThe isotope distribution, which reflects the number and probabilities of occurrence of different isotopologues of a molecule, can be theoretically calculated. With the current generation of (ultra)‐high‐resolution mass spectrometers, the isotope distribution of molecules can be measured with high sensitivity, resolution, and mass accuracy. However, the observed isotope distribution can differ substantially from the expected isotope distribution. Although differences between the observed and expected isotope distribution can complicate the analysis and interpretation of mass spectral data, they can be helpful in a number of specific applications. These applications include, yet are not limited to, the identification of peptides in proteomics, elucidation of the elemental composition of small organic molecules and metabolites, as well as wading through peaks in mass spectra of complex bioorganic mixtures such as petroleum and humus. In this review, we give a nonexhaustive overview of factors that have an impact on the observed isotope distribution, such as elemental isotope deviations, ion sampling, ion interactions, electronic noise and dephasing, centroiding, and apodization. These factors occur at different stages of obtaining the isotope distribution: during the collection of the sample, during the ionization and intake of a molecule in a mass spectrometer, during the mass separation and detection of ionized molecules, and during signal processing.
Subject
Spectroscopy,General Biochemistry, Genetics and Molecular Biology,Condensed Matter Physics,Analytical Chemistry
Cited by
3 articles.
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