Tools

Online Tools

• Mass Spectrometry: Find mass, number of carbons, number of double bonds, abbreviation, MS/MS product ions (neutral loss), formula, and ion based on input criteria, with links to structure and isotopic distribution.
  • Cardiolipins
  • Glycerophospholipids
  • Mono/Di/Triacylglycerols
  • Glycerophospholipid analysis in batch mode
  • Glycerolipid analysis in batch mode
  • Sphingolipid analysis in batch mode
  • Fatty acid analysis in batch mode (based on structures in the LIPID MAPS database)
  • Fatty acid analysis in batch mode (based on computationally generated structures)
  • Cholesteryl ester analysis in batch mode (based on fatty acid structures in the LIPID MAPS database)
  • Cholesteryl ester analysis in batch mode (based on computationally generated structures)
  • Search a database of MS/MS spectra of Eicosanoids for precursor and product ions (neg. ion mode)
• Structure Drawing
  • Draw Fatty Acyl Structures
  • Draw Glycerolipid Structures
  • Draw Glycerophospholipid Structures
  • Draw Cardiolipin Structures
  • Draw Sphingolipid Structures
  • Draw Sterol (cholestane, ergostane, campestane and stigmastane) Structures
  • Draw Glycan strucures (attached to either an R group or ceramide)

Stand-alone Tools

• LIPID MAPS Tools Package
  Command line Perl scripts to generate SD files containing structure and ontological data for various lipid categories. The current version supports structure generation for Fatty acyls (FA), Glycerolipids (GL), Glycerophospholipids (GP), Cardiolipins (CL), Sphingolipids (SP) and Sterols (ST). Please see our documentation for specific main and subclasses. FAStrGen.pl | GLStrGen.pl | GPStrGen.pl | CLStrGen.pl | SPStrGen.pl | STStrGen.pl
  
  • Download Tools package and documentation: lipidmapstools.tar.gz (376kb) or lipidmapstools.zip (568kb)
  • View online documentation
• LIPID MAPS MS Prediction Tool
  A standalone Windows application for predicting possible molecular species for a given MS ion. This application enables a user to enter the m/z value of an unknown lipid ion and predict the most likely molecular species, based on internally generated lists of side-chains and headgroups typically found in mammalian versions of glycerolipids, glycerophospholipids (including cardiolipins) and sphingolipids. There are separate user intefaces for:glycerolipids, glycerophospholipids, cardiolipins, sphingolipids, fatty acids and cholesteryl esters. There is also a user interface to calculate the exact mass of glycerophospholipid and glycerolipid ions with defined side-chains and headgroups, along with a display of the isotopic distribution profile.
  
  • Download Installer (Lipid_MS_Predict_App_v1.5.msi) View Changelog
  • Installation requirements: Windows 2000/XP/Vista containing the Microsoft .NET Framework