Approximating Isotope Distributions of Biomolecule Fragments.

ABSTRACT: In mass spectrometry (MS)-based proteomics, protein and peptide sequences are determined by the isolation and subsequent fragmentation of precursor ions. When an isolation window captures only part of a precursor's isotopic distribution, the isotope distributions of the fragments depend on the subset of isolated precursor isotopes. Approximation of the expected isotope distributions of these fragments prior to sequence determination enables MS2 deisotoping, monoisotopic mass calculation, charge assignment of fragment peaks, and deconvolution of chimeric spectra. However, currently such methods do not exist, and precursor isotope distributions are often used as a proxy. Here, we present methods that approximate the isotope distribution of a biomolecule's fragment given its monoisotopic mass

SUBMITTER: Goldfarb D 

PROVIDER: S-EPMC6166224 | biostudies-literature | 2018 Sep

REPOSITORIES: biostudies-literature