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EI-MS Prediction


This function calculates the EI-MS spectrum from a given parent molecule structure for a selected type of derivatization (none TMS TBDMS TBDMS+TMS).

Input Form for EI-MS Prediction







  1. Draw the structure or paste its SMILES  in the box on the left.
  2. Input the compound name in the corresponding box. If unknown, simply type unknown
  3. Select the type of derivatization from the pull-down menu
  4. Click the "Submit" button

N/B: FIELDS MARKED WITH * ARE COMPULSORY