The collection 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:
* Chemical structure
* Chemical name
* Molecular formula
* Molecular weight (Nominal mass)
* Base peak
* Reference
* Measurement condition
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