Likely Functional Signatures
Insights will appear after analyzing at least one spectrum.
Spectroscopic Data Input
Mass Spectrum Data
Enter the molecular ion peak mass-to-charge ratio
Enter fragment peaks with their relative intensities
Enter the most intense peak in the spectrum
Select the mass spectrometer resolution
IR Spectrum Data
Enter IR absorption peaks with their intensities (strong/medium/weak)
Select functional groups present
UV Spectrum Data
Enter UV absorption maxima with molar extinction coefficients
Select the type of chromophore present
Raman Spectrum Data
Enter Raman shifts with their intensities
Enter the excitation laser wavelength
NMR Spectrum Data
Select the type of NMR spectroscopy
Enter chemical shifts with multiplicity and integration
Select the NMR solvent used
Data Quality Checks
Ready for input
Analysis Results
Spectral Visualization
Predicted Molecular Structure
Molecular Formula
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Molecular Weight
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Functional Groups
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Analysis Confidence
0%
AI-Assisted Insights
Confidence Factors
Confidence explanations will appear alongside new analyses.
Suggested Next Spectrum
Run additional techniques to receive targeted recommendations.
Multi-Technique Analysis
Compare spectra side-by-side, build sequential workflows, and track shared molecular hypotheses.