Lipid Informed Quantitation and Identification

Software · Mon Jul 21 00:00:00 EDT 2014

DOI:https://doi.org/10.11578/dc.20220718.66· OSTI ID:1327963 · Code ID:76544

Crowell, Kevin ^[1]

---

1. Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

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.

• Short Name / Acronym: LIQUID
• Project Type: Closed Source
• Site Accession Number: 5216
• Software Type: Scientific
• License(s): Other
• Programming Language(s): C#
• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
• Sponsoring Organization: National Institutes of Health (NIH); USDOE

  ---

  Primary Award/Contract Number:

  AC05-76RL01830
• DOE Contract Number: AC05-76RL01830
• Code ID: 76544
• OSTI ID: 1327963
• Country of Origin: United States