Lipids

, Volume 46, Issue 9, pp 879–884

LipidomeDB Data Calculation Environment: Online Processing of Direct-Infusion Mass Spectral Data for Lipid Profiles

  • Zhenguo Zhou
  • Shantan Reddy Marepally
  • Daya Sagar Nune
  • Prashanth Pallakollu
  • Gail Ragan
  • Mary R. Roth
  • Liangjiang Wang
  • Gerald H. Lushington
  • Mahesh Visvanathan
  • Ruth Welti
Methods

Abstract

LipidomeDB Data Calculation Environment (DCE) is a web application to quantify complex lipids by processing data acquired after direct infusion of a lipid-containing biological extract, to which a cocktail of internal standards has been added, into an electrospray source of a triple quadrupole mass spectrometer. LipidomeDB DCE is located on the public Internet at http://lipidome.bcf.ku.edu:9000/Lipidomics. LipidomeDB DCE supports targeted analyses; analyte information can be entered, or pre-formulated lists of typical plant or animal polar lipid analytes can be selected. LipidomeDB DCE performs isotopic deconvolution and quantification in comparison to internal standard spectral peaks. Multiple precursor or neutral loss spectra from up to 35 samples may be processed simultaneously with data input as Excel files and output as tables viewable on the web and exportable in Excel. The pre-formulated compound lists and web access, used with direct-infusion mass spectrometry, provide a simple approach to lipidomic analysis, particularly for new users.

Keywords

Triple quadrupole mass spectrometry Precursor scan Neutral loss scan Direct infusion Lipid quantification Lipidomics 

Abbreviations

DCE

Data Calculation Environment

m/z

Mass/charge

MS

Mass spectrometry

QqQ

Triple quadrupole

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Copyright information

© AOCS 2011

Authors and Affiliations

  • Zhenguo Zhou
    • 1
  • Shantan Reddy Marepally
    • 1
  • Daya Sagar Nune
    • 1
  • Prashanth Pallakollu
    • 2
  • Gail Ragan
    • 2
  • Mary R. Roth
    • 2
  • Liangjiang Wang
    • 3
    • 4
  • Gerald H. Lushington
    • 1
  • Mahesh Visvanathan
    • 1
  • Ruth Welti
    • 2
  1. 1.K-INBRE Bioinformatics Core FacilityUniversity of KansasLawrenceUSA
  2. 2.Division of Biology, Kansas Lipidomics Research CenterKansas State UniversityManhattanUSA
  3. 3.Division of BiologyKansas State UniversityManhattanUSA
  4. 4.Department of Genetics and BiochemistryClemson UniversityClemsonUSA

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