Welcome to retentionprediction.org/hplc - a new, easy, and extremely accurate way to predict HPLC retention.

Retention Predictor

This site is home to the HPLC retention predictor . HPLC Retention Predictor is an open-source Java application that uses a new approach to predicting gradient retention times. While other methods of predicting retention (such as retention indexing and time warping a lgorithms) are only accurate under a highly restrictive set of experimental conditions, this approach enables accurate retention prediction with virtually any gradient program, flow rate, column dimensions, and with any make/model of HPLC instrument. It precisely accounts for differences between HPLC systems using the gradient retention times of a set of "instrument calibration solutes" to back-calculate the effective gradient profile and dead time actually produced by a user's instrument. Then, using that information, it calculates the retention time of any compound in the retention database with extremely high accuracy.

Because the retention predictor can measure and properly account for differences between HPLC systems (gradient delay, gradient dispersion, solvent misproportioning, etc.) it can predict retention accurately on virtually any HPLC instrument. It also enables accurate prediction with different gradient programs, flow rates, and column dimensions.

See How It Works for more details. Also, be sure to try out the HPLC 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 HPLC retention because the retention database only contains measurements for ~40 compounds, but we are in the process of building the database much larger.

HPLC 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. Schellenberg, J. R. Carr, P. W. Cohen, J. D.; Hegeman, A. D. "A study on retention "projection" as a supplementary means for compound identification by liquid chromatography-mass spectrometry capable of predicting retention with different gradients, flow rates, and instruments" Journal of Chromatography A. 2011, In Press. doi:10.1016/j.chroma.2011.07.105

(2) Boswell, P. G. Schellenberg, J. R. Carr, P. W. Cohen, J. D.; Hegeman, A. D. "Easy and accurate high-performance liquid chromatography retention prediction with different gradients, flow rates, and instruments by back-calculation of gradient and flow rate profiles" Journal of Chromatography A. 2011, In Press. doi:10.1016/j.chroma.2011.07.070