Forensic Toxicology Database for LC-MS/MS
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
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)|
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|
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
- Shimadzu makes no warranty regarding the accuracy of information included in the database or the usefulness of information obtained from using the database.
- 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 LCMS Ver. 5.91 or later is required for this database.
News / Events
LCMS Food Safety Application is now available.
Application Note: "Analysis of Pharmaceuticals' Impurity - Regulations and Analysis for Carcinogenic Substances -"
Application Note: "Various Analysis Techniques for Organic Acids and Examples of Their Application"
Shimadzu has released the Metabolites Method Package Suite.
Provides ready-to-use methods for over 1900 metabolites
This suite allows comprehensive analysis of over 1900 metabolites without the need for investigation of separation conditions, MRM optimization or parameter settings.
Direct Probe Ionization Mass Spectrometer - APPLICATION NOTEBOOK -
Shimadzu has released the LC/MS/MS Rapid Toxicology Screening System Ver.3.
This system improves the efficiency of simultaneous LC/MS/MS analysis methods by allowing the user to start analysis without time-consuming steps such as consideration of separation conditions and MS parameter optimization.