Spectrum Details
MiMe ID:MMDBc0031536
Compound Name:1-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:0)
Derivative IUPAC Name:3-[({2-[bis(trimethylsilyl)amino]ethoxy}[(trimethylsilyl)oxy]phosphoryl)oxy]-2-[(trimethylsilyl)oxy]propyl octadecanoate
Derivative SMILES:CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
Derivative InChIKey:InChIKey=DEUSKJDZVCCGDP-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_4_1) - 70eV, Positive
Splash Key:Not Available
Notes:This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification.
Spectrum View
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:C23H48NO7P
Molecular Weight (Monoisotopic Mass):481.3168 Da
Derivative Type:TMS_4_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file775 Bytes
mzML formatted file (MZML)Download file4.63 KB
References