Welcome to the LipidomeDB Data Calculation Environment (DCE). LipidomeDB DCE is a tool to process mass spectrometry data acquired after direct infusion of a lipid-containing biological extract, containing a cocktail of internal standards, into an electrospray source.

LipidomeDB consists of a web browser-based interface, a relational database as the backend, and scripts to manage the data, backup, and archive files. The web browser-based interface allows end users to perform calculations and access results via the interface. Input data for complex lipid analysis can be precursor/neutral loss or multiple reaction monitoring data, typically collected on a triple quadrupole mass spectrometer. The output for this type of analysis is a table of molar amounts of specific lipid target compounds. Additionally, input data can be collision induced dissociation/time-of-flight data, collect on a quadrupole/time-of-flight mass spectrometer. Output from this analysis is a table with relative amounts of fragments of interest, such as fatty acyl anions.

The system is password-protected. Please login if you know your ID/password. Click here to send us an email if you want to create an account in the system or if you forgot your ID/password.

A tutorial on the capabilities and use of the system is available here (Word Document).

Here are some shortcuts for the sample files: Pre-NL example data upload files, MRM example data upload file, CID-TOF example data upload file, Pre-NL example data output file, MRM example data output file, CID-TOF example data output file

Click here to see the original 2011 paper on LipidomeDCE. Processing of MRM data, which was added in 2018, is described in this updated paper. Updates in 2019 include the addition of the CID-TOF analysis module, use of which is described in this paper.

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LipidomeDB DCE is a joint project of the Kansas Lipidomics Research Center (KLRC) at Kansas State University and the University of Kansas Computational Chemical Biology Core with core facility support from K-INBRE (Kansas-IDeA Networks of Biomedical Research Excellence of the National Institute of Health) P20GM103418. Additional support for KLRC instrument acquisition and lipidomics method development from the National Science Foundation (including support from the Major Research Instrumentation program; current award DBI-1726527), the USDA National Institute of Food and Agriculture (Hatch/Multi-State project 1013013), and Kansas State University is gratefully acknowledged.

The 2018 and 2019 updates were made by Carl Fruehan, programmer, David Johnson, Director of the Computation Chemical Biology Core and Director of the Molecular Graphics and Modeling Laboratory, and Ruth Welti, Director of the Kansas Lipidomics Research Center. Pam Tamura of the Kansas Lipidomics Research Center also contributed to the 2019 updates.