<i>IsoMatchMS</i>: Open-Source Software for Automated Annotation and Visualization of High Resolution MALDI-MS Spectra.

ABSTRACT: Due to its speed, accuracy, and adaptability to various sample types, matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) has become a popular method to identify molecular isotope profiles from biological samples. Often MALDI-MS data do not include tandem MS fragmentation data, and thus the identification of compounds in samples requires external databases so that the accurate mass of detected signals can be matched to known molecular compounds. Most relevant MALDI-MS software tools developed to confirm compound identifications are focused on small molecules (e.g., metabolites, lipids) and cannot be easily adapted to protein data due to their more complex isotopic distributions. Here, we present an R package called IsoMatchMS for the automated annotation

SUBMITTER: Degnan DJ 

PROVIDER: S-EPMC12923991 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature