iMet-Q

Version: 1.001

Website

http://ms.iis.sinica.edu.tw/comics/Software_iMet-Q.html

Description

Intelligent Metabolomic Quantitation (iMet-Q) is designed to provide accurate quantification of LC-MS data. Firstly peaks are detected. Optionally centroiding can be performed. Noise is removed by dividing scans into segments with 20% overlap (avoiding borderline issues), defining the noise level for each segment and removing signals below a user-specified S/N. The FWHM of each peak is calculated to automatically determine the chromatographic width. The charge state of a peak is determined by calculating the similarity between the monoisotopic peak and the second most abundant isotopic peak. Isotopic ratios are then determined for metabolite identification using the dot product ratio. Peaks are first aligned across technical replicates, then across different biological samples, using LOESS regression.

Functionality

• Preprocessing

Instrument Data Type

• MS/LC-MS

Approaches

Computer Skills

Easy

Software Type

Package

Interface

Graphical User Interface

Operating System (OS)

• Windows XP/7/8
• Windows Server 2008/2012

Language

C#

Dependencies

≥ .Net 4.0

Input Formats - Open

mzML, mzXML, netCDF

Input Formats - Proprietary

N/A

Published

2015

Last Updated

2015

License

LGPL-2

Paper

http://www.ncbi.nlm.nih.gov/pubmed/26784691

PMID

26784691