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Spectrum Details
T3DB ID:T3D4245
Compound Name:Deoxycorticosterone
Derivative IUPAC Name:1-[(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-[(trimethylsilyl)oxy]-1H,2H,3H,3aH,3bH,4H,5H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-hydroxyethan-1-one
Derivative SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO
Derivative InChIKey:InChIKey=BRPHEQOIDKZDJX-OCCJOITDSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive
Splash Key:Not Available
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:C21H30O3
Molecular Weight (Monoisotopic Mass):330.2195 Da
Derivative Type:TMS_1_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@]12CC[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file760 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available