Will HILIC separate your molecules?
Use your molecular structure to calculate retention on HILIC
Now you can easily determine if your compound is suitable for HILIC separations using EMD Millipore SeQuant’s online HILIC Retention Prediction tool. Using your molecular structure you can predict retention of your compound in HILIC separations under typical conditions.
|How it works|
The prediction tool is a Java Applet computer program that runs within your web browser. It uses QSRR PLS prediction model information developed by EMD Millipore SeQuant using the multivariate modeling software UmBio Evince.
All calculations and predictions of retention times are performed locally on your computer, and all information on chemical structures are kept within the prediction program and is discarded when you clear the list of compounds or close the web browser window.
|How do I use the tool?|
|Start retention prediction tool »|
How does the tool predict retention?
QSRR (quantitative structure-retention relation) prediction models are based on retention data of 40 different hydrophilic compounds, many of which are of plant metabolite origin. Multivariate PLS (partial least square) models were developed with UmBio Evince software. Retention data were obtained on ZIC®-HILIC columns (100 x 4.6 mm, 5 µm, 200 Å) using an eluent containing 70% acetonitrile and 30% 100mM ammonium acetate buffer, pH 6.7 or pH 5.6 (two different models).
Feedback and support
Did you find the prediction tool useful? Do you have suggestions for how it can be improved? We value your input to help us to enhance the HILIC retention prediction tool. Please contact the EMD Millipore Sequant support team to provide feedback, get support and share your thoughts.
More information on how to optimize your separation and change the selectivity in HILIC can be found in the booklet “A Practical Guide to HILIC”. For a technical background to HILIC, please visit the HILIC technology tutorial.
Additional technical information can be found in the Sequant online support center.