LipidQA

Website

http://lipidqa.dom.wustl.edu/

Description

Lipid Qualitative/Quantitative Analysis (LipidQA) provides smoothing, noise reduction, deconvolution, deisotoping, normalisation and metabolite identification of DI-MS lipidomics data. Peak lists are loaded and then can optionally undergo 5-point triangular smoothing and noise filtering. Next the data are deconvoluted and deisotoped. MS/MS data are searched against a fragment ion database (existing within the website) for identification. If a m/z value does not match any recorded MS/MS spectra, a lipid chemical formula database is searched and identified formulas are used to generate theoretical isotope distributions for deisotoping. Finally there are two options for quantification: Absolute Quantification and Lipid Phosphorus Normalisation. In absolute quantification, relative intensity values are compared to a calibration curve for quantification. For lipid phosphorus normalisation, the lipid phosphorus content must be specified and the quantify of each lipid species is normalised to this value.

Functionality

• Preprocessing
• Post-processing
• Annotation

Instrument Data Type

• MS/DI-MS/DI-MS/MS

Approaches

• Lipidomics

Computer Skills

Advanced

Software Type

Web App

Interface

Web user interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

C++

Dependencies

N/A

Input Formats - Open

mzXML

Input Formats - Proprietary

Finnigan .raw

Published

2007

Last Updated

2014

License

Paper

http://www.ncbi.nlm.nih.gov/pubmed/17720531

PMID

17720531