Mass Spectra of Organic Compounds (SpecData)
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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:
- Chemical structure
- Chemical name
- Molecular formula
- Molecular weight (Nominal mass)
- Base peak
- Measurement condition
Verify Compound Coverage
Labs can freely verify compound coverage at Compound Search.
Mass Spectra of Organic Compounds is an exceptional value for labs focused on combinatorial synthesis.
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