W4M/LC-MS - Pre-Processing

Xcms
Liquid chromatography
Mass spectrometry
Ions extraction
Goal

How to extract relevant mass spectrometry features from the different raw acquisition files ?

At the end of the course, you will understand :

  • the different extraction steps
  • how the parameters impact the resulting matrix

 

 

Prerequisites
  • Knowledge in liquid chromatograhy and mass spectrometry.
  • You know what is the retention time.
  • You know what is the ratio mass upon charge
Introduction
  • Presentation of xcms software
  • What type of data are available in the LCMS files.
  • How is build an extract ion chromatogram.
Summary
  • First step : parallel extraction of ions in the different files
  • Grouping step : alignment among all files
  • Retention time correction step
  • Replacing missing data, fillpeaks step.
  • datamatrix creation step with CAMERA annotation
Contents
Conclusion

Summary of the key parameters defined at the differents extraction steps.

References