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Bruker Ultra-High Resolution Qq-Time-of-Flight Impact II

High Throughput Lipid Identification using Direct Infusion Mass Spectrometry Data from Bruker’s Ultra-High Resolution Qq-Time-of-Flight Impact II with SimLipid Software

Impact II - SimLipid workflow benefits from the following features:

  • Import raw data directly from Bruker's native file formats namely, .baf, .yep, and .fid files.
  • Visualize raw data, and results in a single workbench view – Total ion chromatogram, mass spectra, identified lipid species corresponding to each MS/MS spectrum, detailed lipid information and annotated MS and MS/MS spectra.
  • Perform MS, and MS/MS lipid database search against SimLipid database containing 40, 312 lipid structures and 15,09,926 structure-specific in-silico MS/MS characteristic ions.
  • Identify lipids from multiple experimental runs in batch mode - 20,000 MS/MS scans per batch.
  • Perform database search for MS/MS scans by selecting multiple adduct ion species facilitating accurate identification of lipids from different categories.
  • Filter lipid species based on specific class, or sub-classes.
  • Ontology filters e.g., lipid species with even fatty acyls for profiling human whole blood samples.
  • Distinguish isobaric lipids based on lipid-specific characteristic ions observed in MS/MS spectra using proximity score.
  • Generate reports by exporting result to CSV, MS Excel, and HTML file formats, facilitating downstream statistical analysis.
Bruker - Direct Infusion-MS

SimLipid Tutorial Power Point Presentation

Lipid profiling using MS/MS data in Direct Infusion mode workflow:

  1. Create new project and load raw data
  2. Visualize raw data in tabular, chromatographic, and spectra views
  3. MS/MS database search in batch mode
  4. Identify lipids – differentiate isobaric lipids using scores
  5. View results
  6. Export results into Microsoft Excel files
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Resources

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

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Application Notes

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

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Webinar

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