ChromIdent

ChromIdent® is a tool for Matching and Identification of Chromatograms.

It can be used for direct chromatogram-chromatogram comparison or matching against a chromatogram/ peak library. For the latter, a Library needs to be built first with measurements of known compounds. After that, a chromatogram of an unknown specimen can be searched against the library to identify similarities to chromatograms and peaks already stored in the library. It was first described in https://doi.org/10.1016/j.jaap.2009.10.007.

For comparison, the peaks must have been detected beforehand in the measurements, while identification is not necessary. The alignment is based on a comparison of peak areas and thus goes far beyond the match of a retention time match. In principle, there are two options for the comparison:

1. Direct comparison of two measurements
2. Comparison of a measurement against a previously created database library

When creating a library, any number of measurements can be used whose peaks from each measurement are compared with one another. Identical peaks are merged into so-called library peaks and an average spectrum is generated. The comparison against the database is then carried out against this library peaks. The advantage of this is that it can already be determined by creating the library which peaks are specific for a sample or which can occur in several samples.

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ChromIdent® is a commercial OpenChrom extension. A license and download link can be requested at the Lablicate Marketplace.