Predicted GC-MS Spectrum

Glycerol 1,2-dioctadecanoate

Spectrum Details
Compound NameGlycerol 1,2-dioctadecanoate
Spectrum TypePredicted GC-MS Spectrum
Splash Keysplash10-03dr-5151956000-f3cfe411b34b1c221b64
Spectrum View
Experimental Conditions
Ionization ModePositive
Chromatography TypeGC
Instrument TypeGC-MS
Derivative Type1 TMS
Notes

Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: CCCCCCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC)

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]