August 30, 2021 GMT
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) |
| 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 |
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.