Spectrum Details
FooDB ID:FDB021945
Compound Name:18-Hydroxycorticosterone
Derivative IUPAC Name:Not Available
Derivative SMILES:C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@]2(CO[Si](C)(C)C)[C@@H](C(=O)CO[Si](C)(C)C)CC[C@@H]12
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive
Splash Key:splash10-03di-1410290000-5789e767e5a0058f10ed
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:C30H54O5Si3
Molecular Weight (Monoisotopic Mass):578.328 Da
Derivative Type:3 TMS
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@]2(CO[Si](C)(C)C)[C@@H](C(=O)CO[Si](C)(C)C)CC[C@@H]12)
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file759 Bytes
Generated list of m/z values for the spectrum (TXT)Download file759 Bytes
mzML formatted file (MZML)Download file4.67 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 ]