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Metabolite Reference Database

The BBIOREFCODE 2 is a database containing currently spectra of 750 compounds which are typically found as metabolites in body fluids or as components in samples from food, feed and beverage analysis. In addition also a variety of typical contaminants  is contained.

AMIX Software provides powerful search algorithms to identify the compounds in the database in mixture spectra. This allows the assignment of unexpected signals in spectra from screening applications and the identification of the components.
 
Spectra are supplied at different pH values so that experimental conditions of mixture spectra and database can be matched for database search.

High Data Quality

All spectra supplied in the database are acquired at 600 MHz in aqueous solution under well defined conditions. Following the SOPs as for example used on the IVDr. The data is provided at up to 11 different pH values which allows a precise matching of the experimental conditions of the mixture spectra.
All spectra are cleaned-up (reviewable in history file, where every working step is listed) and fully assigned. They are stored in a special compressed format which reduces data volume dramatically and allows extremely fast search processes are well as simultaneous handling of large number of spectra.

Applications Gallery

Features

The NMR Data are acquired at 600MHz under well defined conditions. Proton Spectra are supplied at eleven different pH values from pH 3 to 8. For major pH 3, 5 and 7 2D spectra (JRES, COSY, TOCSY, HSQC and HMBC) are provided as well as 13C spectra for pH 3 and 7. All compounds are supplied with 3D-structure and the spectra are fully assigned. The data generation is a continuously on-going process. Once a database is installed it can be upgraded and extended with packages of new available compounds.

New

In June 2017 for the database for all pH-values BBIOREFCODE 2 a package of 50 new compounds was released. This database is now available with a total of 750 compounds.