Free · No credit card · Browser-based
Full Spectral Analysis
Load any combination of ¹H NMR, ¹³C NMR, IR, and MS spectra and get a unified structural summary across all your data — in one step, in one place.
Instant access · No credit card
All techniques, one workflow
The Full Analysis tool is the central elucidation workflow in MID. Upload any combination of spectra — ¹H NMR, ¹³C NMR, IR, and MS — and the tool processes them together, returning a unified summary of the structural features identified across all your data. No more switching between tools and mentally combining results by hand.
What runs under the hood
Select which spectra to include, upload the files, and the tool runs all relevant processing in one step:
- Picks and integrates ¹H NMR peaks; assigns structural environments for ¹H and ¹³C signals using quantum-chemistry-based matching
- Detects functional groups from the IR spectrum using a neural network model trained on thousands of reference spectra
- Evaluates isotope clusters, neutral losses, multiply charged species, and ESI adducts from MS data
Towards full molecule elucidation
The current output is a structured summary of all features detected across your spectra: NMR environments, IR functional groups, and MS-derived molecular information, with consistent assignments highlighted and contradictions flagged. We are actively developing the next step — automatic combination of all detected features to retrieve the molecule, or a ranked list of candidates, that best matches your full set of spectra, making Full Analysis a complete end-to-end elucidation tool.