Metabolites reference database

Metabolites reference database

BBIOREFCODE 2 is a database that contains the spectral data of 800 compounds, these compounds are usually as metabolites in body fluids, or an ingredient in food, feed and beverage samples.In addition, also contains a variety of typical pollutants.

AMIX software provides a powerful search algorithms to identify mixed spectrum of the compounds.This allows in spectrum allocation from accident signal filtering applications, and identification of compounds.

Provide spectrum in different pH value, in order to match the mixed spectrum and experimental condition for database search database.

NMR data at 600 MHZ magnetic resonance spectrometer set conditions.Provides 3 to 8 in pH 11 hydrogen spectrum under different pH value, at the same time, provides the main in the pH 3, 5 and 7 2 d spectrum (JRES, COSY, TOCSY, HSQC and HMBC) and 13 c spectrum of pH 3 and 7.All compounds to provide 3 d structure, distribution and the spectrum diagram was complete.Data generation is a continuing process.Once the database installed, you can upgrade and the expansion of new compounds available packages.

In June 2018, all pH BBIOREFCODE 2 database issued 50 kinds of new compounds.The database is now a total of 800 compounds.

High data quality

Database provides all spectrum in 600 MHz in aqueous solution under the condition of specified collection.Follow the SOP of used on IVDr.Data provided in as many as 11 different pH value, which can exactly match mixture spectrum of experimental conditions.

All spectra for the solvent peak or peak removal (can review each process step) in the history file and finished all the ownership of the spectral peak.They stored in special compression format, can significantly reduce the amount of data, in order to quickly retrieve and allowed to handle a large number of spectra at the same time.

The database and USES

BBIOREFCODE current complete database includes 800 components.It includes a collection of 350 compounds in the basic package, a collection of 150 compounds large updates and current 5-6 small updates, each containing 50 compounds.The database can be individually.On subsequent upgrades the packets may at any time.

When using the databaseNeed AMIX, but it is not included in the packet.You can use the existing AMIX installation.

The available data packets

• BBIOREFCODE2 from all pH value of the data are available, and is suitable for various applications.Complete database contains 800 compounds.
• BBIOREFCODE2 pH3 for pH3 under the condition of the spectrum, is only applicable to food applications.Complete database now have 700 compounds.
• BBIOREFCODE2 at pH7 pH7 spectrum data acquisition and application of fluid is used only for the human body.Complete database now have 700 compounds.
  
  New features
  
  Upgrade package 6 compounds used for 751-800, according to SHD011 (A) - 06 is suitable for the existing BBIOREFCODE2 database

Containing data

Usually provide pH of 3 to 8 (pH 0.5) to increase in the scope of 11 kinds of typical data under different pH value.PH value of 2 d data of 3, 5, 7, including COSY, TOCSY, JRES, HSQC HMBC.The solubility of some compounds and/or stability may limit can collect data of pH range, or so to get 2 d and 13 c data.