LC/MS/MS Forensic Toxicology Database

For LabSolutions™ LCMS Software

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

Simplified Acquisition and Identification

Forensic Toxicology Database

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.

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 2.1mmID
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

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”

 

Compound Identification by Merged Spectra

 

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. 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.
  3. LabSolutions LCMS Ver. 5.91 or later is required for this database.

Applications

Applications Creation Date
Fully automated forensic screeningof dried bloodspots with MRMSpectrum Mode [ PDF / 953.35KB ]

2019-07-10
Targeted screening with Library Searching of drugs of abuse by MTS measuring cocaine and related stimulants, amphetamines, opioids & benzodiazepines [ PDF / 420.83KB ]

2018-05-11
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Movies

  • Forensic Toxicology Database for LC-MS/MS

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News / Events

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