Forensic Toxicology Database for LC-MS/MS

The database includes information on drugs of abuse, hypnotics, psychotropics, pesticides, prescription drugs and natural toxins.

LCMS-8060 for Forensic Toxicology

Simplified Acquisition and Identification

The Forensic Toxicology Database includes optimized LC-MS/MS data acquisition parameters and a library database to help clinical and forensic researchers build screening and quantitation methods quickly, simplifying method development.


MRM & Spectral Library database contains information on more than 2,500 compounds

The spectral library database is built using two separation conditions (ODS and Biphenyl). Both methods have information on clinical and forensic compounds of interest in routine analysis. The ODS method contains information on 1,250 compounds and the Biphenyl method contains 1,281 compounds. Compound datasheet includes: monoisotopic mass, RT, CAS number, formula and compound class. This package provides Synchronized Survey Scan parameters (MRM parameters, MRM intensity threshold and triggered product ion scan parameters) optimized for screening analysis.

Enhanced identification by merged spectrum

Each certified reference material was acquired with three different collision energies to generate an information-rich merged-CE spectrum which can be used in library matching and compound verification. Matching with a merged-CE spectrum library can be a powerful tool to identify compounds with a library score.

Method Creation by “Compound List Creation Tool”


To accelerate customized method development, the Compound List Creation Tool can be used to select specific panels of targets from the library for analysis by LC-MS/MS

Compound Identification by Merged Spectra

Merged Spectra using three MS/MS spectra with three different CE help to increase to confidence in reporting results by using library searchable spectra


Analytical Conditions for ODS column

Analytical column Phenomenex Kinetex XB-C18 (2.1 mmI.D. x 100 mmL., 2.6um)
Guard column Phenomenex SecurityGuard ULTRA C18 2.1mm ID
Mobile phase A 10 mmol/L ammonium formate + 0.1% formic acid – water
Mobile phase B 10 mmol/L ammonium formate + 0.1% formic acid – methanol
Flow rate 0.3 mL / min
Column temp. 40 °C
Analytical time 15 min

Analytical Conditions for Biphenyl column

Analytical column Restek Raptor Biphenyl (2.1 mmI.D. x 100 mmL., 2.7um)
Mobile phase A 2 mmol/L ammonium formate + 0.002% formic acid – water
Mobile phase B 2 mmol/L ammonium formate + 0.002% formic acid – methanol
Flow rate 0.3 mL/min (0.5 mL/min from 11 min to 14 min)
Column temp. 50 °C
Analytical time 17 min

Remarks and Precautions

  1. LabSolutions LCMS Ver. 5.109 or later and LabSolutions Insight Ver. 3.8SP1 or later are required.
  2. It is the user’s responsibility to adopt appropriate quality control tests using standard samples to confirm qualitative and quantitative information obtained with the database.

LabSolutions is a trademark of Shimadzu Corporation or its affiliated companies in Japan and/or other countries.


Fully automated forensic screening of dried bloodspots with MRM Spectrum Mode

Fully automated forensic screening of dried bloodspots with MRM Spectrum Mode PDF

An increasing amount of prescription and illicit drugs drive clinical laboratories to more cost effective and faster screening methods in workplace drug testing, roadside testing, rehabilitation programs or post-mortem investigations without compromising established false positive or negative detection rates. Therefore, the increasing sample amount with a large panel of analytes needs to be handled in shorter analysis time and with simple sample preparation steps. In this study we present a fully automated dried bloodspot (DBS) extraction procedure coupled to an LC-MS/MS-system for forensic and toxicology screening of drugs and their metabolites. We use a new approach, the MRM Spectrum Mode, by measuring at least 5 MRM-transitions of each compound to generate a high confidence for the identification of the results.

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

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