Hmdb loader
Spectrum Details
HMDB ID:HMDB0034571
Compound Name:Chrysophanol 1-triglucoside
Derivative IUPAC Name:Not Available
Derivative SMILES:CC1=CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C3O)C(O)C(O)C2O)=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C1
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Chrysophanol 1-triglucoside GC-MS (TMS_2_14) - 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:C33H40O19
Molecular Weight (Monoisotopic Mass):740.2164 Da
Derivative Type:TMS_2_14
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C3O)C(O)C(O)C2O)=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file758 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available