You can run an intact mass analysis experiment in Manual or Automatic mode:

NOTE

The Batch Processing results format and the automatic peak detection deconvolution method are not supported in Manual mode.

You must select the Multiconsensus results format and either the average over selected retention time or sliding windows deconvolution method to run an intact mass analysis in Manual mode.

Comparison of Manual and Automatic modes for intact mass analysis

Manual mode

Automatic mode

Steps

In Manual mode, you must manually perform the following:

  1. Set up the chromatogram
  2. Select the chromatographic peaks
  3. Edit the algorithm parameters to deconvolve the spectra
  4. Review and report experiment results

In Automatic mode, the application automatically performs the following:

  1. Detects chromatographic peaks
  2. Extracts averaged mass spectra
  3. Deconvolves isotopically unresolved or resolved data
  4. Generates a list of components

Results format

  • Multiconsensus
  • Batch Processing
  • Multiconsensus

Deconvolution algorithm

  • Xtract
  • ReSpect
  • Xtract
  • ReSpect

Deconvolution methods

  • Average over selected retention time
  • Sliding windows
  • Average over selected retention time
  • Automatic peak detection
  • Sliding windows

Action on the Intact Mass Analysis page

Select the Manual Process button to open the Process and Review page and manually specify experiment settings.

Select the Add to Queue button to add the experiment to the run queue for processing.