Spectrum Details
FooDB ID:FDB000013
Compound Name:Cyanidin 3-(6''-succinyl-glucoside)
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](COC(=O)CCC(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C=C12
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_11) - 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:C25H25O14
Molecular Weight (Monoisotopic Mass):549.1244 Da
Derivative Type:TMS_2_11
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](COC(=O)CCC(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C=C12)
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file758 Bytes
mzML formatted file (MZML)Download file4.67 KB
Not Available