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
Handbook of Analysis Procedures for EPA method 533, EPA method 537.1 are now available.
The validity of the analysis performed by each laboratory needs to be confirmed by Quality Control (QC). This article section shows the general analytical procedure for fulfilling QC requirements. Note that the procedure could be modified depending on the situation in the lab and analysts.
Shimadzu has released the CLAM-2040, Fully Automated Sample Preparation Module for LCMS
The CLAM-2040 accompanies you on most of the analytical workflow and improves your overall throughput by drastically reducing the sample preparation time. Simply place the blood tubes in position and the CLAM-2040 performs the next steps automatically, from sample extraction, up to the LCMS analysis and data processing.
Per- and Polyfluoroalkyl Substances (PFAS)
Per-and polyfluoroalkyl substances (PFAS) are a group of persistent and harmful chemicals that can be commonly found in the environment globally. These anthropogenic chemicals can come from various sources such as manufacturing, industrial applications, food contact materials and consumer products, and eventually end up and accumulate in the water, soil and living organisms.
Interpretation of LC Chromatograms Facilitated by Mass Detection and the Mass-it™ Function
The LCMS-2050 mass spectrometer includes Mass-it functionality that can overlay compound mass (m/z) information, obtained with the mass spectrometer, onto UV chromatograms to support supplementing qualitative analysis results obtained using a UV detector.
Technical Background for the LCMS-2050, a Compact Mass Detector for LC
The LCMS-2050 single quadrupole mass spectrometer is highly compact in size, yet provides both high-speed and high-sensitivity analysis. Shimadzu’s technology has been condensed into an instrument miniaturized to the utmost.
Shimadzu has updated LC/MS/MS Method Package for Cell Culture Profiling Ver. 3 for LabSolutions LCMS
Version 3 of this method package adds metabolites characteristic of CHO cells, which are frequently used in the manufacture of monoclonal antibodies. Together with existing analytes, this Method Package enables the analysis of 144 compounds in under 20 minutes per sample.