MetabolomeExpress

Version: 1

Website

https://www.metabolome-express.org/

Description

MetabolomeExpress is designed to perform three main functions: 1) Store GC-MS metabolomics data, allowing for analysis without the user having to download the data 2) provide a GC-MS analysis pipeline and 3) store metabolite response statistics. The PeakFinder algorithm, which uses a slope-based peak detection method is used for peak picking. Next the MRSI library matching algorithm takes EIC peak lists, a reference library and RI calibration file as input for metabolite identification. In this EIC peaks are grouped by their apex RIs into 'preliminary spectra', followed by a library search on each bin. Both internal and external RI calibration are supported. Users may supply their own libraries (including from AMDIS) or use a MetabolomeExpress supplied library. For statistical analysis: PCA, HCA, Welch's t-tests and heat maps are provided.

Functionality

• Workflow

Instrument Data Type

• MS/GC-MS

Approaches

Computer Skills

Basic

Software Type

Web App

Interface

Web user interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

JavaScript, MySQL, PHP, R

Dependencies

N/A

Input Formats - Open

netCDF

Input Formats - Proprietary

N/A

Published

2010

Last Updated

2010

License

MetabolomeExpress may be used for non-commercial purposes by people or organisations who offer all of their products and services entirely free-of-charge.

Paper

http://www.ncbi.nlm.nih.gov/pubmed/20626915

PMID

20626915