Full Data Set Peak Picking and Identification
The MsXelerator software will focus on the detection of all significant chromatographic peaks in your samples. Compared to a manual screening, which often takes hours, MsXelerator’s fast algorithms can do this in seconds. Once all peaks have been detected, the software will reduce the full list by removing unwanted features:
- 13C isotopes, adducts and fragments (Peaks to Components)
- Align a control sample and remove all peaks present in the control
- Identify possible metabolite candidate peaks
- Find isotope signatures in complex samples (e.g. Cl, labeled- unlabeled GSH)
Peak Picking can be performed with or without the use of Mass Defect Filtering. For larger molecules you can also specifically detect charge 1+, 2+ or any other charge state.
Identification can be based on the following Tools:
- Search Peaks using our Predefined BioTransformation List
- Run the Molecular Formula Finder on all detected peaks
- Automatically compare MSMS spectra of all your peaks for common Product Ions or Neutral Losses
