Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive (YMDB01100)

Spectrum Details
YMDB ID:YMDB01100
Compound Name:{[(2S,3S,4R)-2-amino-3,4-dihydroxyicosyl]oxy}phosphonic acid
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive
Splash Key:splash10-052f-4940100000-6f15bba8658a014aebf3 View in MoNA
Notes:This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification.
Spectrum View
Relative Intensity
20406080100
20406080100020406080100120140160180200220240260280300320340360380400
020406080100120140160180200220240260280300320340360380400
m/z
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:C20H44NO6P
Molecular Weight (Monoisotopic Mass):425.2906 Da
Molecular Weight (Avergae Mass):425.5402 Da
Notes
Predicted by CFMID-EI, energy0
Documentation
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
References
  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 ]