FlavFindeR

PlantMAT / FlavFindeR

Library Search

Enter measured retention timea (and molecular formula) to search flavonoids based on the Rt predicted using our ANN modelb:

Retention Time (mins)
Error Tolerance (%)
Molecular Formula
Database

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

Rt Prediction

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

Structure Predicted Rt
C No. Substitutions C No. Substitutions
C23 C3
C5 C6
C7 C8
C2a C3a
C4a C5a

*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.