Smart Metabolites Database

Database Software for GC/MS and GC-MS/MS Analysis of Metabolites

The Smart Metabolites Database is the world’s only commercial database for GC-MS/MS analysis of metabolomics.

Features

Analyze Metabolites in Biological Samples
The Smart Metabolites Database contains MRM transitions for 475 metabolites commonly found in biological samples such as blood, urine, and cellular material, and facilitates rapid method development and accurate compound identification.

Simultaneous Analysis of 475 Metabolites Using MRM Measurement
The Smart Metabolites Database is the world’s only commercial database for GC-MS/MS analysis of metabolomics. It enables MRM method development using the Shimadzu GCMS-TQ series instruments. Biological samples can contain many metabolites along with complex matrices, making it difficult to identify and measure the target compounds using traditional techniques. However, the triple quadrupole Multiple Reaction Monitoring (MRM) acquisition mode performs the mass separation twice, eliminating matrix interference and enabling detection and quantitation of components that could not otherwise be analyzed by conventional Scan or SIM acquisition modes.

Ready-to-Use Methods Provided
The Smart Metabolites Database package includes acquisition methods with fully optimized GC parameters for each compound. The database includes retention indices (RI) for predictive calculation of compound retention times (RT).

"Smart MRM" Automatically Creates Methods from the Database
By simply selecting the compounds to be measured from among those registered in the database, the MRM or Scan/MRM acquisition method is created automatically.

Measurement of Trace Components Using MRM Mode

Analysis of Metabolites in Plasma using MRM Acquisition Mode

By performing MS separation twice, the MRM mode eliminates the effects of interfering components and enables accurate determination of the quantity. In addition, it allows for easier identification of compounds than the Scan or SIM modes.

Database Configuration

The Smart Metabolites Database includes acquisition method files and a custom library of full-scan mass spectra for registered compounds. The acquisition methods include analytical conditions appropriate for analysis of the registered compounds, as well as a compound table and parameters for data processing. In addition to full-scan spectra for all compounds, the custom library includes retention indices, CAS numbers, and structural formulas.

 Compound Class  Derivitization  Acquisition Mode  Number of Compounds
Organic acids,
fatty acids, amino acids,
sugars, etc.
 TMS*1
 Scan 568
 MRM 475
 Fatty acids
 Methylation*2
Scan 50
MRM 50
 Amino acids  EZ:faastTM*3 Scan 33

*1: "TMS" indicates a trimethylsilyl derivative, and "Methylation" indicates a methyl ester derivative.
*2: Method files and libraries of fatty acid methyl esterification include chemical ionization (CI) data as well as electrical ionization (EI) data.
*3: EZ:faastTM is a product of Phenomenex Inc.

Supported models
GCMS-TQ series, GCMS-QP2020, GCMS-QP2010 Series,
GCMSsolution Version 4.2 or later
The Smart MRM program can be used with the GCMS-TQ series, GCMS-QP2010 Ultra and SE. To use the Smart MRM program, Microsoft Excel 2010 (32-bit version) or Excel 2013 (32-bit version) is needed.

* Part of this database was obtained as a result of development work related to the project for "Development of fundamental technologies for promoting industrial application of human stem cells and development of fundamental evaluation technologies for practical application of human stem cells" commissioned by Japan's New Energy and Industrial Technology Development Organization (NEDO).

* Part of this database was obtained as a result of development work related to the project for "Development of Systems and Technology for Advanced Measurement and Analysis" program, commissioned by through the Japan Science and Technology Agency.

Remarks and Precautions

  1. For research use only. Not for use in diagnostic procedures.
  2. The accuracy of the information contained in the database and the usefulness of information obtained as a result of the use of this information is not guaranteed.
  3. Be sure to test the qualitative and quantitative information obtained with this system using a standard sample for confirmation.
  4. To reliably identify substances registered with this database, perform measurement using the system requirements of the method template file included with the product.

 

For Research Use Only. Not for use in diagnostic procedures.

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