How does the Mass Spec Calculator work?

Input mass spectrum peaks and intensities Then: Identify molecular ion, fragments, and base peak Then: Determine molecular structure.

Can you give an example of how to use the Mass Spec Calculator?

Example: Input Molecular ion m/z = 88, base peak m/z = 73 (M-15, loss of CH₃) gives a result of Suggests methyl group loss.

Is the Mass Spec Calculator free to use?

Yes — completely free with no registration, download, or subscription required. All calculations happen instantly in your browser.

How accurate is the Mass Spec Calculator?

Our Mass Spec Calculator uses verified mathematical formulas and is accurate to multiple decimal places. Results are calculated in real-time using the same methods used by professionals.

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Mass Spec Calculator

Mass Spectrometry m/z Calculator

Mass (u)

Charge (z)

Mass spectrometry measures mass-to-charge ratios (m/z) of ions; determines molecular weight and fragment composition.

Difficulty:advanced

References

›Mass Spec — Wikipedia

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Mass Spec Calculator

Mass Spectrometry m/z Calculator

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Mass Spectrometry m/z Calculator