Cayman Contributes Tandem Spectra Data to Cloud-Based Mass Spectral Library
Summary
Tools such as these are integral in identifying potentially harmful and sometimes fatal compounds that have yet to be seen by forensic chemists and toxicologists.” In addition to providing spectra of drug standards, Cayman is working with ThermoFisher and HighChem to add thousands of spectral profiles of lipids to help advance lipidomic research.Each database record contains the compound name with synonyms, the chemical structure, computationally and manually annotated fragments (peaks), identified adducts and multiply charged ions, molecular formulas, predicted precursor structures, detailed experimental information, peak accurate mass, mass resolution, InChI, InChIKey, and other identifiers, including links to where standards can be purchased.Ann Arbor, MI, September 16, 2017 --( PR.com )-- Cayman Chemical is collaborating with ThermoFisher and HighChem to provide accurate and high quality tandem spectra to the mzCloud™ library of mass data.mzCloud™ is a web-based mass spectral database comprised of a curated collection of high- and low-resolution MSn spectra acquired from small molecules under a number of experimental conditions.Tools such as these are integral in identifying potentially harmful and sometimes fatal compounds that have yet to be seen by forensic chemists and toxicologists.” In addition to providing spectra of drug standards, Cayman is working with ThermoFisher and HighChem to add thousands of spectral profiles of lipids to help advance lipidomic research.Each database record contains the compound name with synonyms, the chemical structure, computationally and manually annotated fragments (peaks), identified adducts and multiply charged ions, molecular formulas, predicted precursor structures, detailed experimental information, peak accurate mass, mass resolution, InChI, InChIKey, and other identifiers, including links to where standards can be purchased.To preview all mass spectra or conduct searches, visit the mzCloud™ database at www.mzcloud.org/DataViewer.
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