Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (FDB017312)

Spectrum Details
FooDB ID:FDB017312
Compound Name:Peonidin 3-(6''-p-coumaroyl-glucoside) 5-glucoside
Derivative IUPAC Name:Not Available
Derivative SMILES:COC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4C)=C3C=C2O[C@@H]2O[C@H](COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)[C@@H](O)[C@H](O)[C@H]2O)=CC=C1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 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
Relative Intensity
20406080100
20406080100050100150200250300350400450500550600650700750800
050100150200250300350400450500550600650700750800
m/z
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:C38H41O17
Molecular Weight (Monoisotopic Mass):769.2344 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4C)=C3C=C2O[C@@H]2O[C@H](COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)[C@@H](O)[C@H](O)[C@H]2O)=CC=C1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file752 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available