Predicted GC-MS Spectrum

Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-[(1-oxo-9-octadecenyl)oxy]-, ether with D-glucitol (6:1), (all-Z)-

Spectrum Details
Compound NamePoly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-[(1-oxo-9-octadecenyl)oxy]-, ether with D-glucitol (6:1), (all-Z)-
Spectrum TypePredicted GC-MS Spectrum
Splash Keysplash10-0a6s-7141193000-dcd9245e12314ee0ced4
Spectrum View
Experimental Conditions
Ionization ModePositive
Chromatography TypeGC
Instrument TypeGC-MS
Derivative Type6 TMS
Notes

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

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]