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SimLipid®

Waters® TQ-S MPIS/NLS-based Shotgun Lipidomics Methods

Automating lipid identification and quantitation using data from Waters® Xevo® TQ-S MPIS/NLS-based shotgun lipidomics methods

  • Database containing 40,312 lipid structures.
  • 5211 set masses (transitions) of PIS/NLS experiments for fatty acid chains, and head groups of lipid species from different classes and sub-classes.
  • Identify target lipids based on exact mass database search, and the target headgroup, or fatty acid chain corresponding to the set masses of the PIS/NLS experiments.
  • Isotope peak correction to facilitate accurate quantitation of lipids.
  • Align lipids across biological samples based on short name e.g., PC(28:2); name without double bond positions e.g., PC(18:1/18:1) instead of PC(18:1 (9Z)/18:1(9Z)).
  • Calculate normalized response of analytes w.r.t. the response of the internal standards that belong to the same class/subclass.
  • Heatmap, Concentration X Composition reports of lipid classes, and fatty acid chains.
  • Additional lipid ontology based filters, e.g., only even/odd numbers of double bonds, and carbon (C) atoms in the fatty acid chains of target lipids.
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Resources

Literature

Trapped Ion Mobility Spectrometry and PASEF Enable In-depth Lipidomics from Minimal Sample Amounts...

Workflow for Fast Lipid Tissue Screening using LESA-FT-ICR-MS...

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Posters

Quantitative Macrolipidomics of Human Whole Blood for the Discovery of Novel Biomarkers of Omega-3...

Lipid Profiling of Malaria Samples Using Orbitrap Velos Pro Mass Spectrometer with SimLipid Software...

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Application Notes

Phospholipid Analysis Using SimLipid Software...

Untargeted and Targeted Lipidomics Using Ultra-High Resolution Qq-Time-Of-Flight Impact II™...

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Webinar

Informatics Support For Mass Spectrometry Based Lipidomics Methods...

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