Mass Spectral Libraries and Databases

Mass Spectral Libraries and Databases

 

For GCMSsolution Workstation Software

In order to start analysis using GC-MS (/MS), it is necessary to set up the analysis conditions and the compound information for analysis, which requires a lot of effort.
Shimadzu provides various preconfigured databases to help you get started with GC-MS (/MS) analysis smoothly.

Industry
Databases for Quantitation
Databases for Screening
Food
Smart Pesticides Database
Quick-DB GC/MS Residual Pesticides Database
Forensic Toxicology
Smart Forensic Database
Quick-DB GC/MS/MS Forensic Toxicology Database
GC/MS Forensic Toxicology Database
Metabolites
Smart Metabolites Database -
Environment
Smart Environmental Database
Compound Composer Database Software

Databases for Quantitative Information, Method

Smart Environmental Database This database software supports the creation of MRM methods for environmental polluants.
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

Databases for Screening

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 267,376 general compounds, and 39,246 of these spectra are registered in a sub-library. (2017 edition)
Wiley Library This library contains spectra for 775,500 general compounds (The 11th 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.
FFNSC(Flavor and Fragrance Natural and Synthetic Compounds) Library This is a library for 3,462 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. In addition, the library contains retention indexes using three types of columns. The mass spectra and retention indices registered in the FFNSC GC/MS Library were obtained using the Shimadzu GCMS-QP Series.

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

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