Previous Next

*   Using Components Detection and Spectra Deconvolution
The Mass Frontier application incorporates an automated system for detecting chromatographic components in complex GC/MS or LC/MS runs and extracting mass spectral signals from closely coeluting components (deconvolution). You can search individual mass spectra or spectral trees obtained after deconvolution in libraries or you can classify them using Principal Component Analysis or Neural Networks. For additional information about PCA or Neural Networks, see Principal Component Analysis (PCA) or Self-Organizing Maps.
This Components Detection and Spectra Deconvolution system involves the combined use of the following procedures:
See Processing the Data.
This system is designed for broad types of chromatographic runs, for both GC/MS, LC/MS, and GC/LC/MSn analyses, for clean and noisy signals, and for simple or complex chromatograms (see Processing MSn Data). However, you might need to change some parameters to optimize the system for specific applications. This automated procedure is designed for small- and medium-sized organic compounds. Do not use this procedure for the processing of proteins, peptides, oligonucleotides, or other biomolecules.
Components detection and spectra deconvolution example
The Mass Frontier application incorporates an advanced automated system for detecting chromatographic components in complex GC/MS or LC/MS runs and extracting mass spectral signals from closely coeluting components (deconvolution).
The application identifies components using the following algorithms:


Previous Next
Related Topics:
  JCD Algorithm
  RCD Algorithm
  TECD Algorithm
  Direct Infusion Algorithm
Copyright 1998 - 2013 HighChem Ltd., Slovakia