Forensic Toxicology Database for LC-MS/MS
LC/MS/MS Forensic Toxicology Database
For LabSolutions™ LCMS
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.
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
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|
Remarks and Precautions
- LabSolutions LCMS Ver. 5.109 or later and LabSolutions Insight Ver. 3.8SP1 or later are required.
- 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.
For Research Use Only. Not for use in diagnostic procedures.
News / Events
Shimadzu has released the LCMS-9050 Quadrupole Time-of-Flight Liquid Chromatograph Mass Spectrometer.
The LCMS-9050 is a quadrupole Time-of-Flight (Q-TOF) mass spectrometer system designed with technologies developed for Shimadzu LCMS series models and that results in among the highest mass accuracy stability levels available.
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Shimadzu has released the LCMS-2050 High-Performance Liquid Chromatograph Mass Spectrometer.
The LCMS-2050 single quadrupole mass spectrometer combines the user-friendliness of an LC detector with the excellent performance of MS to provide a complete package of easy to use high-level performance and compactness.
Shimadzu has released High Resolution Accurate Mass Library for Forensic Toxicology
The High Resolution Accurate Mass (HRAM) Library includes two MS/MS spectral libraries. Each library is built using two different separation conditions and is suitable for targeted or non-targeted screening of drugs of abuse, psychotropic drugs, pharmaceuticals, pesticides, and other compounds of toxicological interest.
What is a Method Package?
Method Package contains ready-to-use analytical conditions and sample pretreatment procedures optimized for Shimadzu mass spectrometers and specific analytical applications.