Hmdb loader
Spectrum Details
HMDB ID:HMDB0037973
Compound Name:Cyanidin 3,3',5-triglucoside
Derivative IUPAC Name:Not Available
Derivative SMILES:CC(C)(C)[Si](C)(C)OC1C(OC2=CC(C3=[O+]C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)OC(CO)C(O)C1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Cyanidin 3,3',5-triglucoside GC-MS (TBDMS_1_10) - 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:C33H41O21
Molecular Weight (Monoisotopic Mass):773.214 Da
Derivative Type:TBDMS_1_10
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC1C(OC2=CC(C3=[O+]C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)OC(CO)C(O)C1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file748 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available