Predicted GC-MS Spectrum - GC-MS (TBDMS_1_6) - 70eV, Positive (FDB010893)

Spectrum Details
FooDB ID:FDB010893
Compound Name:Isoorientin 2''-[p-coumaroyl-(->6)-glucoside]
Derivative IUPAC Name:Not Available
Derivative SMILES:CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C1OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_1_6) - 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
20406080100050100150200250300350400450500550600650700750800850
050100150200250300350400450500550600650700750800850
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:C36H36O18
Molecular Weight (Monoisotopic Mass):756.1902 Da
Derivative Type:TBDMS_1_6
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C1OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file754 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available