Authors
John L Markley, Mark E Anderson, Qiu Cui, Hamid R Eghbalnia, Ian A Lewis, Adrian D Hegeman, Jing Li, Christopher F Schulte, Michael R Sussman, William M Westler, Eldon L Ulrich, Zsolt Zolnai
Publication date
2007
Book
Biocomputing 2007
Pages
157-168
Description
We recently developed two databases and a laboratory information system as resources for the metabolomics community. These tools are freely available and are intended to ease data analysis in both MS and NMR based metabolomics studies. The first database is a metabolomics extension to the BioMagResBank (BMRB, http://www.bmrb.wisc.edu), which currently contains experimental spectral data on over 270 pure compounds. Each small molecule entry consists of five or six one- and two-dimensional NMR data sets, along with information about the source of the compound, solution conditions, data collection protocol and the NMR pulse sequences. Users have free access to peak lists, spectra, and original time-domain data. The BMRB database can be queried by name, monoisotopic mass and chemical shift. We are currently developing a deposition tool that will enable people in the community to add their …
Total citations
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Scholar articles
JL Markley, ME Anderson, Q Cui, HR Eghbalnia… - Biocomputing 2007, 2007