Spectrum Details
T3DB ID:T3D2917
Compound Name:Drostanolone
Derivative IUPAC Name:(1S,3aS,3bR,5aS,8R,9aS,9bS,11aS)-8,9a,11a-trimethyl-1-[(trimethylsilyl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
Derivative SMILES:C[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O[Si](C)(C)C)CC[C@@H]32)CC1=O
Derivative InChIKey:InChIKey=DLXRYUAOLYUSFL-KBPDHXPTSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive
Splash Key:splash10-08fs-3249000000-faaa19221c2eb1b1a219
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:C23H40O2Si
Molecular Weight (Monoisotopic Mass):376.28 Da
Derivative Type:1 TMS
Notes
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: C[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O[Si](C)(C)C)CC[C@@H]32)CC1=O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file758 Bytes
Generated list of m/z values for the spectrum (TXT)Download file758 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
  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 ]