MZedDB - RASpicer/MetabolomicsTools GitHub Wiki

MZedDB

Version: 1

Website

http://maltese.dbs.aber.ac.uk:8888/hrmet/index.html

Description

MZedDB is a database of potential adducts and neutral losses, that can be searched by sum formula, accurate mass, nominal mass or metabolite name. It can thus provide potential annotations for accurate mass, including the ability to predict the empirical formula, whilst taking into account adducts, neutral losses and isotopes. For database searches: KEGG, Metacyc and HMDB can be searched. The user can specify searches for metabolites found in a specific organism by interfacing with KEGG. MZedDB can be interfaced with R using a supplied script.

Functionality

  • Annotation/MS/Level 4 - Unequivocal Molecular Formula

Instrument Data Type

  • MS/LC-MS/LC-ESI-MS

Approaches

  • Untargeted

Computer Skills

Basic

Software Type

  • Web App
  • R script

Interface

Web user interface

Operating System (OS)

  • Unix/Linux
  • Mac OS
  • Windows

Language

MySQL, Perl, PHP, R

Dependencies

Input Formats - Open

m/z values

Input Formats - Proprietary

N/A

Published

2008

Last Updated

2009

License

Paper

http://www.ncbi.nlm.nih.gov/pubmed/19622150

PMID

19622150