Hmdb loader
Spectrum Details
HMDB ID:HMDB0041289
Compound Name:Cassitoroside
Derivative IUPAC Name:Not Available
Derivative SMILES:COC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(OC)=C(C(C)=O)C(OC3OCC(O)(CO)C3O)=CC2=C1
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Cassitoroside GC-MS (TMS_2_8) - 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:C25H32O14
Molecular Weight (Monoisotopic Mass):556.1792 Da
Derivative Type:TMS_2_8
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(OC)=C(C(C)=O)C(OC3OCC(O)(CO)C3O)=CC2=C1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file748 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available