HR3

Website

http://www.wur.nl/en/show/MetAlign.htm

Description

HR3 is designed for the annotation of elemental composition of metabolomics LC-MS data. It can be run either through a GUI or in batch mode. It contains a set of rules for filtering PubChem by elemental composition ratios to reduce the number of potential compound annotations.

Functionality

• Annotation/MS/Level 4 - Unequivocal Molecular Formula

Instrument Data Type

• MS/LC-MS

Approaches

Computer Skills

• Advanced
• Medium

Software Type

Package

Interface

• Command line interface
• Graphical User Interface

Operating System (OS)

Windows

Language

Visual C++

Dependencies

Input Formats - Open

Peak list

Input Formats - Proprietary

N/A

Published

2014

Last Updated

2014

License

GPL-2

Paper

http://www.ncbi.nlm.nih.gov/pubmed/24820703

PMID

24820703