Bibliothèques et bases de données de spectres de masse - Fonctionnalités

Database for Quantitative Information, Method

Optimized analysis conditions are registered and analysis can be started quickly.

Smart Environmental Database This database software supports the creation of MRM methods for environmental pollutants.
Smart Metabolites Database This database software supports the creation of MRM methods for metabolomics.
Smart Forensic Database This database software supports the creation of MRM methods for forensic toxicological substances.
 
This database software supports the creation of MRM methods for residual pesticides in complex matrices
Smart Aroma Database This database software supports the creation of MRM methods for aroma compounds.

Databases for Screening

In addition to the quantitative database, calibration curve information is registered,which enables rough quantitative values to be obtained without analyzing standard samples.

Quickly screen for residual pesticides in foods.
Quick-DB Forensic , GC/MS/MS Forensic Toxicology Database 
Quick Identification of Forensic Toxicology Related Compounds
Rough quantitation values for hazardous chemicals can be confirmed without using a standard sample. The retention times, mass spectra and calibration curves for about 942 hazardous chemicals are registered in the database. In combination with the prediction of retention times using n-alkane, the database supports highly reliable compound identification.

Spectral Libraries

Mass Spectral Libraries

NIST Library The main library contains spectra for 306,869 general compounds, and 43,774 of these spectra are registered in a sub-library. (2020 edition)
Wiley Library This library contains spectra for 817,290 general compounds (The 12th edition)
MPW Drug Library This library contains spectra for 10,430 compounds, including drugs, poisons, pesticides and environmental pollutants. (The 5th edition)
Pesticide Library This is a library containing mass spectra for 578 compounds measured using the electron ionization (EI) method and 383 compounds measured using the negative chemical ionization (NCI) method. Highly reliable identification is possible using the mass spectra of the EI and NCI modes together. The library also includes a method for analyzing pesticide residues in food and tap water.
Information on a wide range of additives used in polymer materials is registered. This product contains approx. 4,900 mass spectra as well as the retention index and the classification information of additives, which provides strong support for the analysis of polymer additives.
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