Skyline for Small Molecules: A Unifying Software Package for Quantitative Metabolomics.

ABSTRACT: Vendor-independent software tools for quantification of small molecules and metabolites are lacking, especially for targeted analysis workflows. Skyline is a freely available, open-source software tool for targeted quantitative mass spectrometry method development and data processing with a 10 year history supporting six major instrument vendors. Designed initially for proteomics analysis, we describe the expansion of Skyline to data for small molecule analysis, including selected reaction monitoring, high-resolution mass spectrometry, and calibrated quantification. This fundamental expansion of Skyline from a peptide-sequence-centric tool to a molecule-centric tool makes it agnostic to the source of the molecule while retaining Skyline features critical for workflows in both peptide and m

SUBMITTER: Adams KJ 

PROVIDER: S-EPMC7127945 | biostudies-literature | 2020 Apr

REPOSITORIES: biostudies-literature