MAGMa

Version: 1.0.0

Website

http://www.emetabolomics.org/magma

Description

MS Annotation based on in silico Generated Metabolites (MAGMa) automatically annotates MS^n data, where n ≥ 2, without requiring reference spectral data. Substructures are derived from in silico hierarchical trees. Assignments at each MS level take both the previous as well as the successive fragments into account. Candidate structures are ranked by scores. MAGMa automatically searches PubChem and HMDB.

Functionality

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

Instrument Data Type

• MS/LC-MS/LC-MS/MS
• MS/LC-MS/LC-MS^n

Approaches

Computer Skills

Basic

Software Type

Web App

Interface

Web user interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

Python

Dependencies

Input Formats - Open

mzXML, Tree Format

Input Formats - Proprietary

N/A

Published

2013

Last Updated

2016

License

Apache License 2.0

Paper

http://www.ncbi.nlm.nih.gov/pubmed/23662787

PMID

23662787