This website provides resources that can aid in the assigning NMR proton shifts, IR peaks and mass loss in mass spectrometry. The original site is in German, but most (but not all) the content is translated on the English version of the site. From the left hand menu under Spektroskopei-Tools choose Wizards. From here you can…
This site is a tutorial on interpretation of electrospray mass spectra of multiply charged molecules. It provides a simple explanation of the electrospray process and the potential for the creation of multiply charged species, especially when working with peptides. The mathematics of determining the charge state and molecular weight of the peptide is also…
Searchable database of infrared, NMR, and mass spectra of organic compounds.
The website is available here .