Predicted GC-MS Spectrum

DG(18:0/14:0/0:0)

Spectrum Details
Compound NameDG(18:0/14:0/0:0)
Spectrum TypePredicted GC-MS Spectrum
Splash Keysplash10-03mr-7193774000-79328b444086f1526a11
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)OC[C@H](CO[Si](C)(C)C)OC(=O)CCCCCCCCCCCCC)

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]