The different stereoisomers (E/Z or syn/anti) result in two peaks and are perfectly separated in the GC-MS. The two estrone mass spectra (Estrone major and Estrone minor) show slightly different mass spectra (m/z 207, m/z 96 and m/z 341). Project Partner: Tobias Kind, Mine Palazoglu, Do Yup Lee, Yun Lu, Gert Wohlgemuth, Martin Scholz, Oliver FiehnĮstrone CID: 5870 is first methoximated resulting in two stereoisomers and later silylated Two peaks are observed in the GC-MS. You can also directly compare mass spectra by compound names, by database identifiers or even against your own GC/MS spectra by querying BinBase. If you are interested in obtaining the Fiehn mass spectral libraries, you can purchase these for GC-quadrupole mass spectrometers from Agilent, and for GC-TOF mass spectrometers from Leco. We are continually extending the compound list and welcome compound donations or compound names with PubChem CIDs that are yet missing in our lists. The current libraries comprise over 1,000 identified metabolites that are currently screened by the Fiehn laboratory.
Project: FiehnLib - a mass spectral and retention index library for comprehensive metabolic profiling
