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 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.
Shimadzu has released the LC/MS/MS Methid Package for Glycosaminoglycans
The study of Glycosaminoglycans (GAGs) or mucopolysaccharides, and enzymes involved in GAG metabolism is an important aspect of clinical research related to lysosomal storage. Quantitation of GAGs in bones, joints, the brain, heart, lungs, and other organs is a useful tool in this field of study. GAGs can be quantitated by measuring the sulfated disaccharides produced by enzymatic degradation of GAGs. The research group led by Hironori Kobayashi of Shimane University Hospital, Clinical Laboratory Division, has been instrumental in the development of methods for the detection of sulfated disaccharides by LC/MS.
Shimadzu has released the LC/MS/MS Method Package for PFAS in Drinking Water.
Provides procedures and methods for analyzing organofluorine compounds in drinking water according to EPA methods 533 and 537.1
Shimadzu has released the CoreFocus Library.
CoreFocus Library is a digital library where you can find and learn different methods for analyzing your target compounds.
Shimadzu has released the Peakintelligence™
Peakintelligence is a world-first algorithm incorporating AI assistance to search for chromatography peaks. Having learnt peak processing skills from experienced users, the AI can process data with the same skill level. The algorithm can be implemented immediately without adjusting any parameters, and reduce wrong detection by 1/3 compared conventional algorithm with default setting.