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Metabolite Component Database

Gas Chromatograph-Mass Spectrometry >> Metabolite Component Database


EZ:faast™ Amino Acid Analysis Kits is manufactured by Phenomenex Inc.

The GC/MS Metabolite Component Database is a library for the GCMSsolution Workstation for GCMS-QP2010 Series Gas Chromatograph - Mass Spectrometers. Using a mass spectral library with retention indices significantly reduces the number of candidate compounds and enhances the reliability of the search results.

Features

  1. Retention indices, mass spectra, compound information (CAS numbers and structures), and method files for 311 metabolites (amino acids, fatty acids, and organic acids) are registered in the database.
  2. Since retention indices are registered in the database, analysis is possible by simply analyzing an n-alkane standard mixture and using the GCMSsolution Ver.2.5 AART (Automatic Adjustment of Retention Time) function, which supports the identification of compounds when no standard sample is available by accurately predicting retention times.
  3. The analysis methods registered in the database reduce the effort to determine analytical conditions and perform actual sample analysis.
  4. The analytical methods contain the appropriate data analysis conditions.

Applications

  1. Pharmacological investigations into drug metabolism, pharmacokinetics, drug safety, and toxicity.
  2. Development of health foods and evaluation of efficacy
  3. Analysis of plant metabolites
  4. Detection of metabolites relating inborn errors of metabolism
  5. Identification of metabolites for which it is difficult to obtain analytical standards

Functions

Mass Spectra Libraries with Retention Indices
GCMSsolution Ver.2.5 and subsequent versions offer similarity searching using retention indices. In situations where the identification of compounds is difficult due to the large number of similar mass spectrum candidates, retention indices are utilized to reduce the number of candidate compounds and enhance the reliability of the library search results.
For example, since the mass spectra of TMS derivatives of organic acids are extremely similar, a mass spectral library search alone yields over 70 components as candidate compounds. However a similarity search with retention indices reduces the results down to one candidate compound.

Analysis Methods
Methods are included for the analysis of amino acids (EZ:faastTM derivatives), fatty acids (methyl derivatives), and organic/amino acids (trimethylsilyl derivatives). The methods contain the optimal column and analytical conditions for the GC and MS units. This eliminates the time required to investigate the analytical conditions.

Ethylmalonic-2TMS Search Results

Compound information (retention indices, ions, mass chromatograms, etc.) settings for each component allow simple prediction of the retention times using the GCMSsolution Ver.2.5 AART (Automatic Adjustment of Retention Time) function. This significantly reduces the effort to set the compound information and modify the retention times.


Handbook
The mass spectra and compounds registered in the libraries are compiled into a handbook. Search by English generic name, CAS number, retention index, or molecular weight to check the mass spectrum, retention index, and structure.

Database Configuration

The database comprises four method files containing analytical conditions, mass spectra, and retention indices; four libraries, which contain compound information (including CAS numbers), mass spectra, and retention indices; and the handbook (library information in printed form). The methods and libraries contain 261 electron ionization spectra and 50 chemical ionization spectra of metabolite components of amino acids, fatty acids, and organic acids.
Compounds Registered in Database

Operating Environment

Precautions

  1. Use the Shimadzu-designated column and analysis conditions to achieve the most accurate retention time correction and retention index determination.
  2. Use the instrument conditions in the method template files included with the product to achieve the most accurate identification of the substances registered in this database.
* This system was developed jointly with the Faculty of Medicine, Shimane University.
* EZ:faast™ is manufactured by

Comprehensive GCxGC System

Comprehensive GCxGC System

GC/MS Method Package Ver.2 for Resi

GC/MS Method Package Ver.2 for Resi

GCMS-QP2010 SE

GCMS-QP2010 SE

GCMS-QP2010 Ultra

GCMS-QP2010 Ultra

GCMS-TQ8030

GCMS-TQ8030

Headspace Samplers

Headspace Samplers

Metabolite Component Database

Metabolite Component Database

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