MI-PACK

Version: 0.9

Website

http://www.biosciences-labs.bham.ac.uk/viant/mipack/

Description

Metabolite identification package (MI-PACK) uses transformation mapping (TM), mapping an experimentally derived empirical formula difference of a peak pair to a known substrate-product empirical formula difference derived from KEGG, for metabolite identification. It assumes that all the metabolites in a pathway will be present in a sample. Mass error surface from instrumental error is also calculated.

Functionality

• Annotation/MS/Level 3 - Tentative Candidates

Instrument Data Type

Approaches

Computer Skills

Advanced

Software Type

Package

Interface

Command line interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

Python, R

Dependencies

Python 2.6.4, SQLite Database Manger

Input Formats - Open

Peaklist .txt

Input Formats - Proprietary

N/A

Published

2010

Last Updated

2015

License

GPL-3

Paper

http://www.sciencedirect.com/science/article/pii/S0169743910000596

PMID