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 Paul G. Boswell, Jonathan R. Schellenberg, Peter W. Carr, Jerry D. Cohen, Adrian D. Hegeman
An implementation and source code is available here.
".. This approach provides a simple way to correct for all
instrument-related factors affecting retention, allowing dramatically
streamlined and improved retention projection across gradients, flow
rates, and HPLC instruments."
And here are the limitations:
1) Solvent A must be 0.1% formic acid in water and solvent B must be pure acetonitrile
2) The column temperature must be set to 35 °C
3) The stationary phase must be Waters Acquity BEH C18 (1.7 μm, 130 Å)
4) The retention database only contains 35 compounds.
