Mass Spectral Libraries and Optional Software


Workstation for Gas Chromatograph Mass Spectrometer GCMSsolution

Mass Spectral Libraries

NIST Library The main library contains spectra for 191,436 general compounds, and 219,743 of these spectra are registered in a sub-library.
Wiley Library This library contains spectra for 592,000 general compounds (The 9th edition)
Drug Library This library contains spectra for 4,366 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 1,156 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.
GC/MS Metabolites Spectral Database This mass spectral library consists of EI mass spectra and retention indices for 3 categories of metabolite compounds – amino acids (EZ:faast™ derivatives), fatty acids (methyl ester derivatives), and organic acids and amino acids (trimethylsilyl derivatives). The retention indices for fatty acid methyl esters can also be used with the CI mass spectral library. Use of the retention index provides much greater identification reliability, since mass spectra of homologous compounds are typically very similar.
GC/MS Forensic Toxicological Database The Shimadzu GC/MS Forensic Toxicological Database contains spectra for 502 forensic and toxicology-related compounds, including abused drugs, psychoneurotic and other drug medicines, pesticides, etc., and 1011 mass spectra including free-, TMS-, and TFA-body types. 

The information registered in the analysis method file and mass spectral library for similarity search can be used to identify target compounds from retention times and mass spectra.
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.

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