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Title: Lipid Informed Quantitation and Identification

LIQUID (Lipid Informed Quantitation and Identification) is a software program that has been developed to enable users to conduct both informed and high-throughput global liquid chromatography-tandem mass spectrometry (LC-MS/MS)-based lipidomics analysis. This newly designed desktop application can quickly identify and quantify lipids from LC-MS/MS datasets while providing a friendly graphical user interface for users to fully explore the data. Informed data analysis simply involves the user specifying an electrospray ionization mode, lipid common name (i.e. PE(16:0/18:2)), and associated charge carrier. A stemplot of the isotopic profile and a line plot of the extracted ion chromatogram are also provided to show the MS-level evidence of the identified lipid. In addition to plots, other information such as intensity, mass measurement error, and elution time are also provided. Typically, a global analysis for 15,000 lipid targets
Publication Date:
OSTI Identifier:
Report Number(s):
DOE Contract Number:
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Software Package Number:
Software Package Contents:
Media Directory; Software Abstract; Media includes Executable Module(s); / 1 CD-ROM
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Open Source:
Source Code Available:
Other Software Info:
Funding from NIH. Software will be licensed to commercial party for further development.
Research Org:
Pacific Northwest National Laboratory
Sponsoring Org:
United States Department of Energy
Country of Publication:
United States

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