Easily create figures with both structures and spectra

JCAMP-DX Format

Read mass spectrometry (MS), nuclear magnetic resonance spectroscopy (NMR), infrared spectroscopy (IR) and other spectra from JCAMP-DX files. Multiple spectra are also recognized from the advanced JCAMP NTUPLES specification.

Editing

Completely edit the domain and range perspectives for your spectra. Include integration lines and grids. Format titles and then add annotations with shape tools.

Simulation

Simulate both 1H and 13C NMR spectroscopy as well as mass spectrum isotopic distributions. The NMR SignalSeek widget will also provide you with structure-spectrum correlations and further insight into the simulation. You can completely customize the settings for the simulations. Fine tune your analysis with the Multiplet Tool, which provides powerful functions for simulating and multiplet patterns.

Mass Fragmentation Tools

Use simple tools to quickly split bonds and calculate molecular masses for the fragments.