Knovel K-News Archive

SPOTLIGHT ON SPECTRA: Knovel Mass Spectra and Knovel HNMR Spectra Offer Unique Content

Today Knovel released the Knovel Mass Spectra and Knovel HNMR Spectra databases. Embedded with two critical productivity tools--the Chemical Structure Search and the Spectra Viewer (see descriptions below)--these two new databases offer scientists and engineers an unparalleled resource. The Chemical Structure Search allows users to draw or import chemical structures and substructures of a compound and then search. The Spectra Viewer displays spectra data along with the chemical structure of a compound. Peaks data can then be selected and recorded, integrals calculated, and peak-to-peak distance measured.

The data provider, Chemical Block Ltd., was founded within the Zelinsky Institute of Organic Chemistry of the Russian Academy of Sciences. The company is engaged in custom synthesis of physiologically active organic compounds used for drug research.

SPOTLIGHT ON SPECTRA: Chemical Structure Search

This Java-based feature allows you to draw a structure of an organic or inorganic compound and search thousands of chemicals and associated data on Knovel. Polymers, coordination compounds and stereochemistry are not yet supported. You can perform exact or substructure search of fully defined structures along with some Markush structures. To help your drawing, we have Substituent Groups, Templates, and Periodic Table of Elements pop-ups. A wide selection of rings and bonds is also available. The Marquee function allows resizing, repositioning, and rotating of the structures. Finally, you can upload, modify, and search your own MOL files.

SPOTLIGHT ON SPECTRA: Spectra Viewer

The Spectra Viewer is a Java-based interactive tool for displaying NMR, MS, and FTIR spectra data along with the chemical structure of an element or a compound. It will display the spectra graph, chemical structure, molecular formula, and molecular weight. It will allow you to open our chemical structure query tool to refine, modify and re-submit your search. You can also zoom in and out of a particular region of a graph for better peak viewing resolution, move the graph, select peaks, calculate integrals, save your collected data in a table, and export your data and structure in a variety of formats.

SPOTLIGHT ON SPECTRA: What People are Saying...

Knovel has worked hard to create a search system that is intuitive and easy to use. Sue Cardinal, Chemistry Librarian at the University of Rochester, after testing the product observed, "I was very impressed with the ease and efficiency of the web structure search and molecular formula search. It was also easy to label and integrate HNMR peaks. Exporting and printing functions capture all that you would want in various formats."