does anybody know if there are any good programs or empiric correlation formulae for predicting retention times of compounds in given solvent gradients?...I know its complicated, as it'll need a lot of input information, but there may be someone who already did it...if not, does anybody know any good database where I can find chromatograms of standards, ran in known conditions?
I've seen quite a few publications regarding peptide elution predictions, but I can't say I recall any recent ones for metabolites. However, I would be very surprised if there wasn't some literature out there on the topic.
interesting article on the topic
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 (http://http://dx.doi.org/10.1016/j.chroma.2011.07.070)