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Spectrum Details
T3DB ID:T3D2907
Compound Name:Mifepristone
Derivative IUPAC Name:(1S,3aS,3bS,10R,11aS)-10-[4-(dimethylamino)phenyl]-11a-methyl-1-(prop-1-yn-1-yl)-1-[(trimethylsilyl)oxy]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Derivative SMILES:CC#C[C@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](C3=CC=C(N(C)C)C=C3)C[C@@]21C
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive
Splash Key:splash10-0079-2055900000-6e525ae464b1871d9ebe
Notes:This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification.
Spectrum View
Experimental Conditions
Ionization Mode:Positive
Ionization Energy:70 eV
Chromatography Type:Gas Chromatography Column (GC)
Instrument Type:Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution:0.0001 Da
Molecular Formula:C32H43NO2Si
Molecular Weight (Monoisotopic Mass):501.306 Da
Derivative Type:1 TMS
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: CC#C[C@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](C3=CC=C(N(C)C)C=C3)C[C@@]21C)
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file756 Bytes
Generated list of m/z values for the spectrum (TXT)Download file756 Bytes
mzML formatted file (MZML)Download file4.68 KB
  1. Allen F, Pon A, Greiner R, Wishart D: Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification. Anal Chem. 2016 Aug 2;88(15):7689-97. doi: 10.1021/acs.analchem.6b01622. Epub 2016 Jul 21. [PubMed: 27381172 ]