Products from category Libraries, Software and libraries | LabRulez GCMS

"Flavors and Fragrances of Natural and Synthetic Compounds, 3rd Edition" contains over 3,000 mass spectra, LRI retention data, calculated Kovats RI, and searchable chemical structures of compounds of interest for the flavors and fragrances industry.

This fast and reliable spectral library helps researchers overcome the analytical challenge for identification of steroids in body fluids. Most spectra have been obtained on the same mass spectrometer under identical conditions. The data records include chemical name, chemical structure, molecular formula, and synonyms.

The "Mass Spectra of Volatile Compounds in Food" collection includes 1,620 reference mass spectra and covers the whole range of volatile compounds in food. Created by the Central Institute of Nutrition and Food Research, the database also features derivatives of non-volatile compounds, such as sugars or polyhydroxyphenols.

This predicted database can be used along with empirical IR spectral reference database in unknown identification to expand your chemical compound coverage and improve your analytical workflow. And because the Wiley Database of Predicted IR Spectra is built using Wiley’s trusted databases and informatics tools, you can be confident the predicted spectra are based on sound scientific principles and methods.

The Wiley Registry/NIST Mass Spectral Library 2023 is the most comprehensive combined mass spectral library commercially available, with over 3 million spectra (includes EI and tandem MS data) making it the clear choice for general unknown compound identification. Broad, up-to-date compound coverage ensures identification across multiple use cases and a wide variety of analytes.

The 2023 release of this vital MS database provides access to over 873,000 spectra with expanded coverage to expedite your workflow even further. Designed for use across multiple applications, from untargeted GC-MS screening to accurate mass workflows with MS-TOF instruments, this comprehensive collection helps to ensure confidence in your lab's spectral search results, even in the most demanding applications.

Updated annually, Mass Spectra of Designer Drugs remains the most comprehensive MS collection of designer drugs, pharmaceuticals, chemical warfare agents, and related substances. That’s why forensic, clinical, and toxicological laboratories throughout the globe rely on this comprehensive high-quality spectral database to identify illicit substances fast.

This new database from Wiley features mass spectra for over 1,800 biologically and environmentally important organic compounds in the form of their trimethylsilyl derivatives (TMS), along with TMS linear temperature programmed chromatographic retention indices (from 713 to 4700 index units).

The "FAMEs Fatty Acid Methyl Esters: Mass Spectral Database" contains over 240 spectra and structures of fatty acid methyl esters, including their Linear Retention Index and calculated Kovats Retention Index registered using an alkane mixture on an apolar column and using also a FAMEs and FAEEs (fatty acid ethyl esters) mixture on a polar column.

Wiley's "KnowItAll IR Spectral Library" offers access to over 339,000 infrared spectral records — the world's largest collection of high-quality infrared spectra including the renowned Sadtler™ databases.