MS2Analyzer

Version: 2.1

Website

http://fiehnlab.ucdavis.edu/projects/MS2Analyzer/

Description

This Fiehn lab tool allows metabolite identification of LC-MS/MS spectra, by searching a database of substructures of MS/MS spectra. It is particularly useful for identifying novel compound species that are not yet in tandem spectral databases. The four types of mass spectral features which can be searched for are: precursor ions, product ions, neutral losses and m/z differences. When data is inputted into the software, first spectral simplification is performed, by removing all features below a user defined intensity threshold. As well as substructures automatically generated by MS2Analyzer, 147 neutral losses were manually curated from Google Scholar. Implemented as both a GUI and command line for both novice users and bioinformaticians.

Functionality

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

Instrument Data Type

• MS/LC-MS/LC-MS/MS

Approaches

• Untargeted

Computer Skills

Medium

Software Type

Package

Interface

• Graphical user interface
• Command Line Interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

Java

Dependencies

≥ JRE 7

Input Formats - Open

.MSP (NIST), .MGF (Mascot generic format)

Input Formats - Proprietary

N/A

Published

2013

Last Updated

2014

License

MIT

Paper

http://www.ncbi.nlm.nih.gov/pubmed/25263576

PMID

25263576