LC/MS/MS

LC/MS/MS

LC/MS/MS

Product catalog summary
Simplified Acquisition and Identification
The Forensic Toxicology Database is designed to assist clinical and forensic researchers in developing screening and quantitation methods efficiently using optimized LC-MS/MS data acquisition parameters and a comprehensive library database. It includes information on over 2,500 compounds, with data organized under two separation conditions: ODS and Biphenyl.

MRM & Spectral Library Database
The database provides detailed information on clinical and forensic compounds, including monoisotopic mass, retention time (RT), CAS number, formula, and compound class. The ODS method covers 1,250 compounds, while the Biphenyl method includes 1,281 compounds. Synchronized Survey Scan parameters are optimized for screening analysis.

Enhanced Identification
Compounds are identified using a merged-CE spectrum, generated by acquiring data with three different collision energies. This approach enhances library matching and compound verification.

Analytical Conditions
ODS Column: Phenomenex Kinetex XB-C18, with a mobile phase of ammonium formate and formic acid in water and methanol, at a flow rate of 0.3 mL/min and a column temperature of 40°C.
Biphenyl Column: Restek Raptor Biphenyl, with similar mobile phases, a flow rate of 0.3 mL/min (increased to 0.5 mL/min from 11 to 14 minutes), and a column temperature of 50°C.

Database Content
The database includes information on drugs of abuse, hypnotics, psychotropics, pesticides, prescription drugs, and natural toxins.

Software and Tools
LabSolutions LCMS Ver. 5.109 or later and LabSolutions Insight Ver. 3.8SP1 or later are required. The 'Compound List Creation Tool' facilitates the selection of specific target panels for analysis.

Remarks and Precautions
Users must conduct appropriate quality control tests using standard samples to verify the qualitative and quantitative data obtained. The database is intended for research use only and not for diagnostic procedures.

Disclaimer
Shimadzu Corporation provides this publication "as is" without warranty and disclaims any liability for damages related to its use.
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Catalog excerpts

LC/MS/MS-1

LC/MS/MS Forensic Toxicology Database 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 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. 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. 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

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LC/MS/MS-2

Method Creation by "Compound List Creation Tool" To accelerate customized method development, the 'Compound List Creation Tool' can be used to select specific panels of targets from the library for analysis by LC-MS/MS. Creation of text file Import file into LabSolutions Synchronized Survey Scan (Including three Product Ion Scan events with three different CE) Compound Identification by Merged Spectra Merged Spectra using three MS/MS spectra with three different CE help to increase the confidence in reporting results by using library searchable spectra. Merged Spectrum MS/MS Spectra with three...

 Open the catalog to page 2

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