FlavFindeR

Enter measured retention time^a (and molecular formula) to search flavonoids based on the Rt predicted using our ANN model^b:

^aThe retention times used for the machine learning were measured on a Waters BEH C18 column (2.1 x 150 mm, 1.7 um particles) and the following gradient: the initial mobile phase ratio (A:B) 95%:5% was changed linearly to 30%:70% over 30 min, then to 5%:95% over 3 min, held at 5%:95% for 3 min and returned to 95%:5% for equilibration over 3 min. The flow rate was 0.56 mL/min and the column temperature was 60 C.
^bLei et al., Analytical Chemistry, 2015, 87, 7373‐7381; doi: 10.1021/acs.analchem.5b01559

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Build your own flavonoids to predict retention time (Rt)^* using our ANN model:

Structure	Predicted Rt

C No.	Substitutions	C No.	Substitutions
C23	saturateddouble bond	C3	n/aArOHOMe
C5	n/aOHOMeOGluOGluAORha	C6	n/aOHOMeGluGluARhaPre
C7	n/aOHOMeOGluOGluAORha	C8	n/aOHOMeGluGluARhaPre
C2a	n/aOHOMe	C3a	n/aOHOMeOGluOGluAORha
C4a	n/aOHOMeOGluOGluAORha	C5a	n/aOHOMe

^*The retention times used for the machine learning were measured on a Waters BEH C18 column (2.1 x 150 mm, 1.7 um particles) and the following gradient: the initial mobile phase ratio (A:B) 95%:5% was changed linearly to 30%:70% over 30 min, then to 5%:95% over 3 min, held at 5%:95% for 3 min and returned to 95%:5% for equilibration over 3 min. The flow rate was 0.56 mL/min and the column temperature was 60 C.