Mass Spectra of Organic Compounds
CD-ROM

by Alexander Yarkov

This CD-ROM contains 37,055 mass spectra of organic compounds.

The data resulted from quality control in combinatorial synthesis and cover a wide range of structure classes. The compounds are applied for screening purposes in drug discovery.

Additional information provided includes:

• Chemical structure
• Chemical name
• Molecular formula
• Molecular weight (Nominal mass)
• Base peak
• Reference
• Measurement condition

Availability Data Base Formats:

• 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 Chemsta-tion
• NetCDF
• NIST MSSEARCH
• PE Turbomass
• Shimadzu QP-5000
• Var-ian Saturn

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