Predicted GC-MS Spectrum

Isovitexin

Spectrum Details
Compound NameIsovitexin
Spectrum TypePredicted GC-MS Spectrum
Splash Keysplash10-003r-2500549000-9f9f0ccda26c67042e0c
Spectrum View
Experimental Conditions
Ionization ModePositive
Chromatography TypeGC
Instrument TypeGC-MS
Derivative Type3 TMS
Notes

Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(O)C(O)C1O)

Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file
Generated list of m/z values for the spectrum (TXT)Download file
References
  • 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]