C146-E277A

Smart Metabolites DatabaseDatabase Software for GC/MS and GC-MS/MS Analysis of Metabolites

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 identi�cation.

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 dif�cult 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).

This database was developed through guidance from the Shimane University Faculty of

Medicine, Kobe University School of Medicine, and the Institute for Integrated Cell-Material

Sciences, Kyoto University. 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).

“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.

Acetyl-CoACitric acid

Oxalacetic acid Aconitic acid

Isocitric acidMalic acid

Succinyl-CoASuccinic acid

2-Ketoglutaricacid

Fumaric acid

Pyruvic acid

GCMS-TQ8040 NX

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 con�rmation.

4. To reliably identify substances registered with this database, perform measurement using

the system requirements of the method template �le included with the product.

Smart Metabolites DatabaseDatabase Software for GC/MS and GC-MS/MS Analysis of Metabolites

The Smart Metabolites Database includes acquisition method �les 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.

*1: "TMS" indicates a trimethylsilyl derivative, and "Methylation" indicates a methyl ester derivative.

*2: Method �les and libraries of fatty acid methyl esteri�cation include chemical ionization (CI) data as well as electron ionization (EI) data.

*3: EZ:faast™ is a product of Phenomenex Inc.

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 identi�cation of compounds than the Scan or SIM modes.

Con�dently identify metabolites using the custom library of metabolites along with corresponding retention indices.

Compound Class Derivitization AcquisitionMode

Number ofCompounds

Organic acids, fatty acids, amino acids, sugars, etc.

Fatty acids

Amino acids

Scan

MRM

Scan

MRM

Scan

TMS*1

Methylation*2

EZ:faastTM *3

568

475

50

50

33

Database Con�guration

Measurement of Trace Components Using MRM Mode

Library

Analysis of Metabolites in Plasma using MRM Acquisition Mode

Supported models: GCMS-TQ series, GCMS-QP2010 Series, GCMSsolution Version 4.2 or laterThe 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.

© Shimadzu Corporation, 2018

www.shimadzu.com/an/

For Research Use Only. Not for use in diagnostic procedures. This publication may contain references to products that are not available in your country. Please contact us to check the availability of these products in your country.Company names, products/service names and logos used in this publication are trademarks and trade names of Shimadzu Corporation, its subsidiaries or its affiliates, whether or not they are used with trademark symbol “TM” or “®”.Third-party trademarks and trade names may be used in this publication to refer to either the entities or their products/services, whether or not they are used with trademark symbol “TM” or “®”.Shimadzu disclaims any proprietary interest in trademarks and trade names other than its own.

The contents of this publication are provided to you “as is” without warranty of any kind, and are subject to change without notice. Shimadzu does not assume any responsibility or liability for any damage, whether direct or indirect, relating to the use of this publication.

First Edition: January 2015