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LipidomeDB Data Calculation Environment Has Been Updated to Process Direct‐Infusion Multiple Reaction Monitoring Data
Author(s) -
Fruehan Carl,
Johnson David,
Welti Ruth
Publication year - 2018
Publication title -
lipids
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.601
H-Index - 120
eISSN - 1558-9307
pISSN - 0024-4201
DOI - 10.1002/lipd.12111
Subject(s) - lipidome , lipidomics , workflow , chemistry , selected reaction monitoring , mass spectrometry , tandem mass spectrometry , chromatography , process (computing) , computer science , database , biochemistry , operating system
LipidomeDB Data Calculation Environment (DCE), a web application for processing data from direct-infusion tandem mass spectrometer data on lipids, was described by Zhou et al. (, Lipids, 46, 879-884). The original version processed multiple precursor and/or neutral loss scans on multiple samples. A recent update to LipidomeDB DCE, http://lipidome.bcf.ku.edu:8080/Lipidomics/, extends LipidomeDB DCE's functionality to process data acquired in multiple reaction monitoring (MRM) mode by direct-infusion mass spectrometry. Both the precursor-neutral loss workflow and the MRM workflow remove signals due to isotopic overlap of lipid analytes and calculation of the amount of each target lipid in comparison with internal standards.