Mass Spectra of Organic Compounds (SpecData)

Structural Diversity for Drug Discovery Mass Spectra of Organic Compounds contains 37,055 mass spectra of organic compounds.

The data were acquired from quality control in combinatorial synthesis and cover a wide range of structure classes.

The compounds are applied for screening purposes in drug discovery. Each record contains: SpectrumChemical structureChemical nameMolecular formulaMolecular weight (Nominal mass)Base peakReferenceMeasurement condition Verify Compound Coverage Labs can freely verify compound coverage at Compound Search. Exceptional Value Mass Spectra of Organic Compounds is an exceptional value for labs focused on combinatorial synthesis. Availability Benchtop/SPC, Excalibur, Finnigan ICIS, Finnigan INCOS, Finnigan Ion-Trap, Finnigan Magnum, Finnigan GCQ, Finnigan SSQ, Finnigan TSQ, Finnigan ITS-40, Fisons VG Masslab, Fisons VG LabBase, Agilent Chemstation , NetCDF, NIST MSSEARCH, PE Turbomass, Shimadzu QP-5000, Varian Saturn