Spectrum Details
FooDB ID:FDB013918
Compound Name:Methyl 3b,24-dihydroxy-11,13(18)-oleanadien-30-oate
Derivative IUPAC Name:Not Available
Derivative SMILES:COC(=O)C1(C)CCC2(C)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C2CCC13C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive
Splash Key:splash10-03di-1001049000-191b2e3c0a005fcc0939
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:C37H64O4Si2
Molecular Weight (Monoisotopic Mass):628.434 Da
Derivative Type:2 TMS
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: COC(=O)C1(C)CCC2(C)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C2CCC13C)
Document DescriptionDownload
List of m/z values for the spectrumDownload file
Generated list of m/z values for the spectrumDownload file
mzML formatted fileDownload file
  1. Allen F, Pon A, Greiner R, Wishart D: Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification. Anal Chem. 2016 Aug 2;88(15):7689-97. doi: 10.1021/acs.analchem.6b01622. Epub 2016 Jul 21. [PubMed: 27381172 ]