Welcome to retentionprediction.org/gc - a new, easy, and extremely accurate way to predict retention in gas chromatography (GC).
GC Retention Predictor
This site is home to the GC Retention Predictor. GC Retention Predictor is an open-source Java application that enables a new approach to predicting gas chromatographic retention. While other methods of predicting retention (such as retention indexing, retention time locking, method translation, and time warping algorithms) are only accurate under a restrictive set of experimental conditions, this approach enables accurate retention prediction with virtually any temperature program, inlet pressure/flow rate, column length, and make/model of GC instrument. It precisely accounts for differences between systems by using the programmed-temperature retention times of a set of "instrument calibration solutes" to back-calculate the effective temperature and hold-up time profiles produced by a user's instrument. With those back-calculated profiles, it then calculates the retention time of any compound in the retention database with extremely high accuracy.
See How It Works for more details. Also, be sure to try out the GC Retention Predictor. An online tutorial is provided that shows how to use it.
At this point in time, the site is only useful to show how this new method of retention prediction works. It is not generally useful as a tool to predict GC retention because the retention database only contains measurements for ~90 compounds.
GC Retention Predictor is open-source software distributed free of charge under the terms of the Creative Commons Attribution-Noncommercial-Share Alike 3.0 United States License. Source code and information for compiling the program can be found under the Development tab.
(1) Boswell, P. G.; Carr, P. W. Cohen, J. D.; Hegeman, A. D. "Easy and accurate calculation of programmed temperature gas chromatographic retention times by back-calculation of temperature and hold-up time profiles." Journal of Chromatography A. 2012, 1263, 179-88. 10.1016/j.chroma.2012.09.048
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