The database includes information on drugs of abuse, hypnotics, psychotropics, pesticides, prescription drugs and natural toxins.
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.
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.
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.
| Analytical column | Phenomenex Kinetex XB-C18 (2.1 mm I.D. × 100 mm L., 2.6 µm) |
| Guard column | Phenomenex SecurityGuard ULTRA C18 2.1 mm I.D. |
| 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 column | Restek Raptor Biphenyl (2.1 mm I.D. × 100 mm L., 2.7 µm) |
| 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 |