SCALiR: a web application for automating absolute quantification of mass spectrometry-based metabolomics data.

ABSTRACT: Metabolomics is an important approach for studying complex biological systems. Quantitative liquid chromatography-mass spectrometry (LC-MS)-based metabolomics is becoming a mainstream strategy but presents several technical challenges that limit its widespread use. Computing metabolite concentrations using standard curves generated from standard mixtures of known concentrations is a labor-intensive process which is often performed manually. Currently, there are few options for open-source software tools that can automatically calculate metabolite concentrations. Herein, we introduce SCALiR (Standard Curve Application for determining Linear Ranges), a new web-based software tool specifically built for this task, which allows users to automatically transform LC-MS signal data into absolute q

SUBMITTER: Bishop SL 

PROVIDER: S-EPMC10461962 | biostudies-literature | 2023 Aug

REPOSITORIES: biostudies-literature