MetaboDirect: an analytical pipeline for the processing of FT-ICR MS-based metabolomic data.

ABSTRACT:

Background

Microbiomes are now recognized as the main drivers of ecosystem function ranging from the oceans and soils to humans and bioreactors. However, a grand challenge in microbiome science is to characterize and quantify the chemical currencies of organic matter (i.e., metabolites) that microbes respond to and alter. Critical to this has been the development of Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), which has drastically increased molecular characterization of complex organic matter samples, but challenges users with hundreds of millions of data points where readily available, user-friendly, and customizable software tools are lacking.

Results

Here, we build on years of analytical experience with diverse sample types to develop MetaboDi

SUBMITTER: Ayala-Ortiz C 

PROVIDER: S-EPMC9936664 | biostudies-literature | 2023 Feb

REPOSITORIES: biostudies-literature