Chemistry: 4. Analytical Chemistry

For the advancement of various types of spectrometric analysis.

Includes the Analytical Sciences Digital Library, a directory of free resources in techniques, applications, and learning & teaching resources in Analytical Chemistry.

Collects, catalogs, annotates and links peer-reviewed web-based educational resources and publishes the online journal, JASDL. A joint project of the ACS Analytical Chemistry division and the National Science Foundation.

Help with spectra interpretation: enter a data point, and this site will return a table of possible chemical functional groups that would product that result. Enter H-NMR chemical shift, FT-IR wavenumber, or Mass Spec m/e value.

A great guide to print and online sources for spectral data, divided by type of spectroscopy.

An integrated spectral database system for organic compounds, which includes 6 different types of spectra: mass spectrum, FT-Infrared, H-NMR, C-NMR, Raman, and ESR. Maintained by the National Institute of Advanced Industrial Science and Technology (AIST), Japan.

An online textbook covering the basic theory and practice of nuclear magnetic resonance (NMR) spectroscopy by Dr. Jospeh Hornak of the Rochester Institute of Technology.

Allows for NMR spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties.

Allows you to predict an NMR spectrum from a structure, assign peaks in a structure, or reconstruct a spectrum from a peaks list.

MassBank data are useful for the chemical identification and structure elucidation of chemical comounds detected by mass spectrometry.

Type in the chemical formula and this program will calculate the intensity of each mass isotope in the species

Facilitates the search for and dissemination of mass spectra from biologically active metabolites quantified using Gas chromatography (GC) coupled to mass spectrometry (MS).