MolDraw Learn

How to predict a mass spectrum

Beginner 4 min 2 steps

Short answer: Draw ethanol here, then ask the AI Spectroscopy plugin for its mass spectrum in the full editor.

You will learn to: Draw ethanol; Install AI Spectroscopy; Ask for a mass spectrum.

1 Watch demo2 Try in editor

Watch the demo

The molecule for this chapter, in about 10 seconds.

The steps in text

Step 1: Draw ethanol

  1. Pick the single bond tool. Click the canvas.
  2. Pick O in the atom palette. Click the right end.
  3. Pick C, then the bond tool. Click the left end.

Step 2: Predict its mass spectrum

  1. Open the full editor in a new tab.
  2. Sign in. Install AI Spectroscopy from Settings, Plugins.
  3. Add your Gemini key in Settings, AI.
  4. Draw ethanol. Click AI chat. Type Predict the mass spectrum.
  5. Come back and click

Try it in the editor

The full MolDraw editor opens here. It loads when you open this tab.

Questions and answers

What is the molecular ion?

It is the peak at the mass of the whole molecule. For ethanol it is m/z 46.

Is the prediction exact?

No. It is an estimate. Check it against measured data.

For more detail, read the guide in the docs.