As a user, you are often faced with the task of comparing chromatograms from GC/MS systems or analogue detectors. At the moment this is mostly done visually and is therefore very subjective. In addition, it is hardly possible to compare large numbers of chromatograms with each other by visual comparison.
This is exactly where MSChromSearch comes in: similar to a library search in a mass spectra library MSChromSearch compares a chromatogram with a library of other chromatograms. The user can choose whether the mass spectra, retention times and/or intensities should be compared. A fit value is calculated from the selected data as a measure of the agreement between two chromatograms and the chromatograms found are output in a hit list according to the fit value. A comparison of a chromatogram with several hundred chromatograms is possible with MSChromSearch within a very short time. In addition, two chromatograms from different data systems can be compared in detail to obtain information about correlations or deviations. By using MSChromSearch you save time and obtain a clear numerical value for the degree of agreement between two chromatograms.
- Calculation of retention indices and their consideration in comparison
- Comprehensive documentation as online help and manual in German and English
- "Overlay" function for superimposing chromatograms, even if they come from different data systems
- Import of mass spectra from NIST and other programs
- Detailed comparison of two chromatograms and their spectra including the possibility to search in NIST