Mass++

Version: 2.7.5

Website

http://www.shimadzu.co.jp/aboutus/ms_r/archive.html

Description

Mass++ provides preprocessing, metabolite identification, statistical analysis and direct upload to MassBank. It is designed for both metabolomics and proteomics LC-MS data, so some of its functions are specialised for proteomics, not metabolomics. It includes 4 peak picking algorithms: MWD (for identification), GION (for quantification), AB3D (for detecting peaks from 2D data and is suitable for label-free quantification) and local maximum (simple peak-detection algorithm). Smoothing and retention time alignment (a dynamic programming algorithm) are also provided. Five different normalisation methods are provided: internal standard, integration, distribution (max intensity), distribution (median) and distribution (percentile). MassBank can be accessed directly through its SOAP API, allowing for both metabolite identification and direct upload of data to MassBank. Users can also create a private MassBank library. Users experienced with programming can create their own functions in C++ or .NET using the Mass++ standard development kit (SDK). IronPython scripts can be implemented using Mass++'s script console.

Functionality

• Workflow

Instrument Data Type

• MS/GC-MS
• MS/LC-MS

Approaches

Computer Skills

Medium

Software Type

Plug-in

Interface

Graphical user interface

Operating System (OS)

• Windows XP
• Windows 7

Language

C++, C#, .NET

Dependencies

N/A

Input Formats - Open

mzML, mzXML, netCDF

Input Formats - Proprietary

AB Sciex .wiff, Aglient .d, KRATOS .run, Shimadzu .lcd, Shimadzu .qgd, Thermo .raw, Waters .raw

Published

2011

Last Updated

2015

License

Three-clause BSD license

Paper

https://www.ncbi.nlm.nih.gov/pubmed/24965016

PMID

24965016