Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive (FDB016530)

Spectrum Details
FooDB ID:FDB016530
Compound Name:Spinosin A
Derivative IUPAC Name:Not Available
Derivative SMILES:COC1=CC(/C=C/C(=O)OCC2OC(OC3C(C4=C(OC)C=C5OC(C6=CC=C(O[Si](C)(C)C)C=C6)=CC(=O)C5=C4O)OC(CO)C(O)C3O)C(O)C(O)C2O)=CC(OC)=C1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 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:C39H42O19
Molecular Weight (Monoisotopic Mass):814.232 Da
Derivative Type:TMS_1_5
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(/C=C/C(=O)OCC2OC(OC3C(C4=C(OC)C=C5OC(C6=CC=C(O[Si](C)(C)C)C=C6)=CC(=O)C5=C4O)OC(CO)C(O)C3O)C(O)C(O)C2O)=CC(OC)=C1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file741 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available