Hmdb loader
Spectrum Details
HMDB ID:HMDB0040838
Compound Name:3',6-Disinapoylsucrose
Derivative IUPAC Name:Not Available
Derivative SMILES:COC1=CC(/C=C/C(=O)OCC2OC(OC3(CO[Si](C)(C)C)OC(CO)C(O)C3OC(=O)/C=C/C3=CC(OC)=C(O)C(OC)=C3)C(O)C(O)C2O)=CC(OC)=C1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - 3',6-Disinapoylsucrose GC-MS (TMS_1_1) - 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:C34H42O19
Molecular Weight (Monoisotopic Mass):754.232 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(/C=C/C(=O)OCC2OC(OC3(CO[Si](C)(C)C)OC(CO)C(O)C3OC(=O)/C=C/C3=CC(OC)=C(O)C(OC)=C3)C(O)C(O)C2O)=CC(OC)=C1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file744 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available