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Spectrum Details
HMDB ID:HMDB0038012
Compound Name:Malvidin 3-(6-coumaroylglucoside)
Derivative IUPAC Name:Not Available
Derivative SMILES:COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_1_7) - 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:C32H31O14
Molecular Weight (Monoisotopic Mass):639.1714 Da
Derivative Type:TMS_1_7
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file751 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available