Mass Spectral Libraries and Databases

Databases for Screening

 

Quick-DB Quickly screen for residual pesticides in foods.
Forensic Toxicological Database Quick Identification of Forensic Toxicology Related Compounds
Compound Composer 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.

 

Databases for quantitative information, Method

 

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.
Smart Pesticides Database This database software supports the creation of MRM methods for residual pesticides in complex matrices
Forensic Toxicological Database Quick Identification of Forensic Toxicology Related Compounds
Method Package Ver.2 for Residual Pesticides in Foods The method files contained in this package are pre-registered with optimized analytical conditions and compound information, allowing users to start analysis of multiple component samples without having to perform troublesome tasks. Also, information for 542 pesticides that can be batch-analyzed in accordance with the Positive List System is pre-registered.

 

Spectral Libraries

 

Mass Spectral Libraries
 

NIST Library The main library contains spectra for 242,466 general compounds, and 33,782 of these spectra are registered in a sub-library. (2014 edition)
Wiley Library This library contains spectra for 638,000 general compounds (The 10th edition)
MPW Drug Library This library contains spectra for 8650 compounds, including drugs, poisons, pesticides and environmental pollutants.
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.
FFNSC (Flavor and Fragrance Natural and Synthetic Compounds) Library This is a library for 3000 flavor and fragrance compounds. The library contains mass spectra as well as retention indices. The use of retention indices makes it possible to perform effective similarity search even for samples containing isomers and much matrix. The mass spectra and retention indices registered in the FFNSC GC/MS Library were obtained using the Shimadzu GCMS-QP2010.
VOC Analysis S/W This software has the library containing spectra for 74 VOCs (Volatile Organic Compounds)

 

GCMSsolution Optional Software

 

Compound Composer Database Software for Simultaneous Analysis
 

The Compound Composer Database Software enables the confirmation of rough quantitation values for hazardous chemicals 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.

 

 

For Research Use Only. Not for use in diagnostic procedures.

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