CFM-ID

Version: 2.4

Website

http://cfmid.wishartlab.com/

Description

Competitive Fragment Modeling for Metabolite Identification (CFM-ID) is a web server designed for ESI-MS/MS data analysis. It uses single energy - competitive fragmentation modeling (SE-CFM) to predict MS/MS spectra, for MS/MS peak annotation and for putative metabolite annotation. There are two SE-CFM which were trained on the METLIN database, one for positive and one for negative modes. Spectra can be predicted for three collision energies: 10V, 20V and 40V, requiring an input of SMILES or InChI formats of chemicals of interest. Putative MS/MS peak annotation requires input of a peak table and a list of metabolites in SMILES or InChI format. Putative Metabolite Annotation can be performed using HMDB, KEGG or a user defined list of metabolites.

Functionality

• Annotation/MS/Level 2a - Library Spectrum Match

Instrument Data Type

• MS/LC-MS/LC-MS/MS

Approaches

Computer Skills

Basic

Software Type

Web App

Interface

Web user interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

Ruby on the Rails, Javascript, MySQL, Redis, HTML

Dependencies

N/A

Input Formats - Open

Peak list, Metabolite list in SMILES/InChI format for annotation

Input Formats - Proprietary

Published

2014

Last Updated

2016

License

GPL-2.1

Paper

http://www.ncbi.nlm.nih.gov/pubmed/24895432

PMID

24895432