Spectrum Details
MiMe ID:MMDBc0055928
Compound Name:dihydroouabain
Derivative IUPAC Name:4-[(1R,3aS,3bR,5aS,7S,9R,9aR,9bS,10R,11aR)-7-{[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(trimethylsilyl)oxy]oxan-2-yl]oxy}-3a,9-dihydroxy-9a-(hydroxymethyl)-11a-methyl-5a,10-bis[(trimethylsilyl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]oxolan-2-one
Derivative SMILES:C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6COC(=O)C6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O
Derivative InChIKey:InChIKey=GGEPNNDAKNRDRL-HOHNNLMXSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_3_32) - 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:C29H46O12
Molecular Weight (Monoisotopic Mass):586.2989 Da
Derivative Type:TMS_3_32
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file785 Bytes
mzML formatted file (MZML)Download file4.64 KB
References