Smart Forensic Database Ver. 2

Forensic Database for GC-MS/MS Analysis

This database software supports the creation of MRM methods for forensic toxicological substances.

Features

1. Supports Simultaneous Analysis of Forensic Toxicological Substances in Biological Samples Using GC-MS/MS

Smart Forensic Database is registered with information for MRM analysis of forensic toxicological substances often involved in poisonings, such as drugs of abuse, phychotropic drugs, pharmaceuticals and pesticides. The Smart Forensic Database enables simultaneous high-sensitivity analysis of approximately 480 compounds by adding information about 285 forensic toxicological substances. The database contains information on retention indices, MRM transitions, collision energies, and confirmation ion ratios, eliminating the need to configure complicated analysis conditions. Furthermore, retention indices are registered for all of the components, enabling easy updating of retention times via the AART (Automatic Adjustment of Retention Time) function.

2. Provides Improved Selectivity and Sensitivity via MRM

With GC-MS/MS MRM mode, mass separation is performed in two stages. As a result, background interferences from biological samples are easily separated from the target compounds, and the forensic toxicological substances are detected with improved sensitivity. Thus, it is easy to determine whether biological samples contain forensic toxicological substances, and data analysis times are substantially reduced.

3. Creates Optimal MRM Methods Automatically

The Smart MRM program creates MRM methods automatically. In multicomponent simultaneous analysis, it is difficult to configure the dwell, event, and loop time-measurement settings in the MRM program. Smart MRM, however, automatically determines the optimal time-measurement settings, and creates a high-sensitivity method. The MRM method is created based on the retention time information for target compounds, using the AART function.
Extensive support for creating MRM methods

4. Combination with the GC/MS Forensic Toxicological Database in Simultaneous Scan/MRM Measurement

Scan data obtained with simultaneous Scan/MRM measurements can be analyzed using the GC/MS Forensic Toxicological Database, which is used to screen for forensic toxicological substances. MRM data can be used for trace quantity analyses of toxicological substances often involved in poisonings, which are registered in the Smart Forensic Database, while the scan data can be used to screen for drugs of abuse using the GC/MS Forensic Toxicological Database, which includes many designer drugs.

Database Contents

Registered compounds

Compound
classification
Number of
registered compounds
Drugs of Abuse 51
Psychotropic Drugs 200
General Drugs 87
Pesticides 125
Others 5
ISTDs 18
Total 486
Derivatization
classification
Number of
registered compounds
Underivatized 418
TMS derivatized 59
TFA derivatized 9
Total 486

The AART method file is registered with analysis conditions suited to the registered compounds. This allows you to start measurements without having to set analysis conditions and data analysis parameters.
The database file is registered with information on up to six transitions per component. In addition, retention indices are registered for all registered compounds, making it possible to create MRM methods from retention times corrected using the AART function.*

* The retention indices registered in the database are calculated using the analysis conditions registered in the AART method file. If you are using the registered retention indices, use the column indicated below, under identical conditions.

Analysis columns
 SH-Rxi™-5Sil MS (30 m, 0.25 mm i.d., df=0.25 μm, P/N 221-75954-30) or DB-5ms (30 m, 0.25 mm i.d., df=0.25 μm)

n-alkane
 C8-C40 Alkanes Calibration Standard (Sigma-Aldrich®)

Applicable Systems
 GC/MS: GCMS-TQ™ series

Operation environment
 Workstation software: GCMSsolution™ Ver. 4.31 or later
 Excel™: Microsoft® Excel 2010, 2013, 2016 (32bit)

Remarks and Precautions

  1. Shimadzu makes no warranty regarding the accuracy of information included in the database or the usefulness of information obtained from using the database.
  2. Be sure to perform tests using standards to confirm qualitative and quantitative information obtained with the given system.
  3. To reliably identify registered substances using this database, measure samples using the instrument parameters specified in the method template files included in the product.
  4. This database is for research purposes. It cannot be used for clinical diagnostic applications.

Smart MRM, GCMS-TQ and GCMSsolution are trademarks of Shimadzu Corporation.
Rxi is a registered trademark of Restek Corporation.
Excel and Microsoft are either registered trademarks or trademarks of Microsoft Corporation in the United States and/or other countries.
Sigma-Aldrich is a registered trademark of Sigma-Aldrich Co. LLC.

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

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