Spectrum Details
MiMe ID:MMDBc0054458
Compound Name:dihydrodigoxin
Derivative IUPAC Name:Not Available
Derivative SMILES:CC1OC(OC2C(C)OC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7COC(=O)C7)CCC65O)C4)OC3C)CC2O[Si](C)(C)C(C)(C)C)CC(O)C1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_1_3) - 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:C41H66O14
Molecular Weight (Monoisotopic Mass):782.4453 Da
Derivative Type:TBDMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1OC(OC2C(C)OC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7COC(=O)C7)CCC65O)C4)OC3C)CC2O[Si](C)(C)C(C)(C)C)CC(O)C1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file755 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available