The MSChromSearch software from Axel Semrau® enables fully automatic comparison of chromatograms.
Users are regularly faced with the task of comparing chromatograms from GC/MS systems or analog detectors. Currently this is usually done visually and is thereby rather subjective. In addition, it is almost impossible to deal with larger numbers of chromatograms based on visual comparison.
MSChromSearch compares a chromatogram with a library of other chromatograms, similar to a library search in a mass spectrum library. The user can select between mass spectrum, retention time, retention index and/or intensity comparisons. From the selected data a “fit value” is formed as a measure for the match between two chromatograms, and chromatograms that were found are listed in the form of a hit list based on the fit value.
MSChromSearch enables comparison of a chromatogram with several hundred chromatograms within a very short time. In addition, two chromatograms from different data systems can be compared in detail in order to obtain information about interrelationships or deviations.
The software can be used in pyrolysis applications for identification of organic solids, for comparison of volatile components to determine the cause of a fire, for example, and in quality control for good/poor comparison of samples.
MSChromSearch can save a tremendous amount of time (just think how long a visual comparison of several hundred chromatograms would take), and offers an unambiguous numerical value for the match between two chromatograms.