This module enables the convenient extraction and processing of mass spectral scans from GC/MS or LC/MS files and from MSⁿ data. Component detection and spectra deconvolution techniques are available. This module also offers spectral averaging and background subtraction features. Three types of chromatograms can be displayed: Total Ion Chromatogram (TIC) of MS and MS/MS, and Selected Ion Chromatogram (SIC). The SIC feature permits the user to display individual mass chromatograms of ions that are characteristic for a specific compound of interest.

Mass spectral scans, deconvoluted components, and various types of MSⁿ data can be classified using PCA, SOM or Fuzzy Clustering methods. Spectra can be searched in a library for positive compound identification, or the spectra can be copied to the Database Manager module for further processing and archiving. Several chromatograms can be opened simultaneously. Fully customizable chromatogram and mass spectrum layouts are available. Chromatogram Processor allows you to copy chromatograms with extracted spectra for importing into reports, spreadsheets, or other Windows programs. MSⁿ data is displayed in tree structures allowing the user to clearly view the dependencies. Using text boxes, it is possible to annotate chromatographic scans or components. This module does not include target analysis, and automatic quantitation of ions is not available.

Chromatogram Processor topics:

Chromatogram Processor Window

GC/LC/MS Data File Formats

Open Chromatogram

TIC Chromatogram

Info Page

3D View Page

Spectra Average

Data Processing

Thresholding

Baseline Correction and Noise Elimination

Smoothing

Background Subtraction

Selected Ion Chromatogram (SIC)

Automated Component Detection and Spectra Deconvolution

Component Detection Algorithms

RCD Algorithm

JCD Algorithm

TECD Algorithm

Direct Infusion Algorithm

Working with Detected Components

Processing of Extracted Spectra

Processing MSⁿ Data

Exporting Data Reduced Chromatograms