ChemSpider Blog

We made our web services available with the intention that third parties might take advantage of the capabilities. Waters recently integrated our MassSpecAPI web service to their MarkerLynx software.

To perform an online search of the ChemSpider database the user can set up a series of specific databases they might want to search. In the figure below the user has selected the Human Metabolome Database, Lipidmaps and the KEGG database.

Searches of the selected series of ChemSpider subset databases can be made based on either mass or elemental composition and returns the compound name in the ID column and retains the link to the ChemSpider ID.

ChemSpider records can then be viewed by clicking on the View Hit Details. The chemical structure and associated information can then be reviewed online.

Web-Service_Integrations of this type have started to expand in number and you can expect to see others appearing very shortly.

Buy me a Coffee

Stumble it!

This entry was posted on Monday, April 14th, 2008 at 11:32 pm and is filed under ChemSpider Services. You can follow any responses to this entry through the RSS 2.0 feed. You can leave a response, or trackback from your own site.