Hmdb loader
Spectrum Details
HMDB ID:HMDB0035488
Compound Name:(25S)-Spirostane-3b,5b,6a-triol 3-[4''-rhamnosylglucoside]
Derivative IUPAC Name:Not Available
Derivative SMILES:CC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O[Si](C)(C)C)CCC5(C)C4CCC3(C)C1C2C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - (25S)-Spirostane-3b,5b,6a-triol 3-[4''-rhamnosylglucoside] GC-MS (TMS_1_8) - 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:C39H64O14
Molecular Weight (Monoisotopic Mass):756.4296 Da
Derivative Type:TMS_1_8
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O[Si](C)(C)C)CCC5(C)C4CCC3(C)C1C2C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file759 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available