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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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Posters and Presentations

Shotgun Lipidomics of Prostate Cancer Cells Using ESI-MS Shimadzu 8050 and Simplified Data Analysis by SimLipid...

Utilisation of SimLipid for the Characterisation of Metabolic Syndrome Related Lipids Acquired Using a Novel Scanning Quadrupole DIA...

Application Notes

Phospholipid analysis using SimLipid software

- Shimadzu Document No. LAAN-A-LM-E120

Automated Lipid Identification Using UPLC/HDMSE in Combination with SimLipid

- Waters Application Note No. 720004169EN

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