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LipidomeDB Data Calculation Environment: Online Processing of Direct‐Infusion Mass Spectral Data for Lipid Profiles
Author(s) -
Zhou Zhenguo,
Marepally Shantan Reddy,
Nune Daya Sagar,
Pallakollu Prashanth,
Ragan Gail,
Roth Mary R.,
Wang Liangjiang,
Lushington Gerald H.,
Visvanathan Mahesh,
Welti Ruth
Publication year - 2011
Publication title -
lipids
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.601
H-Index - 120
eISSN - 1558-9307
pISSN - 0024-4201
DOI - 10.1007/s11745-011-3575-8
Subject(s) - lipidomics , lipidome , mass spectrometry , analyte , chemistry , computer science , analytical chemistry (journal) , chromatography , biochemistry
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.