Structure editor

Extracted SMILES

Example molecule: toluene. You can replace it with any custom structure.

Molecule Summary

Current analyte snapshot

Example name Awaiting structure

Approx. carbon count Pending analysis

Estimated polarity flag Pending analysis

Structure summary No molecule detected yet.

GC Method Conditions

Method preset

Preset values can be edited after they are applied.

Column phase

Carrier gas

Inlet mode

Detector

Temperature program mode

Column length (m)

Internal diameter (mm)

Film thickness (um)

Initial oven temperature (deg C)

Final oven temperature (deg C)

Ramp rate (deg C/min)

Initial hold time (min)

Final hold time (min)

Flow rate (mL/min)

Injector temperature (deg C)

Detector temperature (deg C)

Split ratio

Injection volume (uL)

Output Section

Predicted retention time --

Predicted retention index --

Confidence score --

Run a prediction to review the selected GC method.

Draw or load a molecule to populate the analyte summary.

Single-peak preview for the current placeholder GC prediction engine.