Spectrum Details
MiMe ID:MMDBc0031534
Compound Name:1-Acyl-sn-glycero-3-phosphoethanolamine (N-C16:0)
Derivative IUPAC Name:[3-(hexadecanoyloxy)-2-hydroxypropoxy]({2-[(trimethylsilyl)amino]ethoxy})phosphinic acid
Derivative SMILES:CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN[Si](C)(C)C
Derivative InChIKey:InChIKey=BPIQEVLJYUOMPW-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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:C21H44NO7P
Molecular Weight (Monoisotopic Mass):453.2855 Da
Derivative Type:TMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file758 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available