Predicted GC-MS Spectrum - GC-MS (TMS_1_10) - 70eV, Positive (FDB021053)

Spectrum Details
FooDB ID:FDB021053
Compound Name:Alatanin C
Derivative IUPAC Name:Not Available
Derivative SMILES:COC1=CC(/C=C/C(=O)OCC2OC(OCC3OC(OC4=CC5=C(O)C=C(O)C=C5[O+]=C4C4=CC=C(O)C(O)=C4)C(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_10) - 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:C38H41O20
Molecular Weight (Monoisotopic Mass):817.2191 Da
Derivative Type:TMS_1_10
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(/C=C/C(=O)OCC2OC(OCC3OC(OC4=CC5=C(O)C=C(O)C=C5[O+]=C4C4=CC=C(O)C(O)=C4)C(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file759 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available