MSFINDER

Version: 2.28

Website

http://prime.psc.riken.jp/Metabolomics_Software/

Description

This RIKEN software is designed for the putative identification of unknown metabolites in LC-MS/MS data, using a three stage process. Firstly, MS1 and MS/MS molecular formulas are predicted using the seven golden rules and a neutral loss database. The chemistry development kit (CDK) is then used to fragment structural data from PubChem matching these molecular formula. Finally candidate compounds are ranked using a likelihood score. Candidates are filtered by whether or not they are present in an existing metabolite database.

Functionality

• Annotation/MS/Level 3 - Tentative Candidates

Instrument Data Type

• MS/LC-MS/LC-MS/MS

Approaches

• Untargeted

Computer Skills

Basic

Software Type

Package

Interface

Package

Operating System (OS)

Windows

Language

C++

Dependencies

≥ .NET Famework 4.0

Input Formats - Open

Input Formats - Proprietary

Published

2015

Last Updated

2018

License

Paper

http://www.ncbi.nlm.nih.gov/pubmed/27419259

PMID

27419259