Spectrum Details
MiMe ID:MMDBc0047218
Compound Name:PS(14:0/15:0)
Derivative IUPAC Name:(2S)-3-({hydroxy[(2R)-2-(pentadecanoyloxy)-3-(tetradecanoyloxy)propoxy]phosphoryl}oxy)-2-[(trimethylsilyl)amino]propanoic acid
Derivative SMILES:CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N[Si](C)(C)C)C(=O)O
Derivative InChIKey:InChIKey=CMIWOYVFCWOAKI-GPOMZPHUSA-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:C35H68NO10P
Molecular Weight (Monoisotopic Mass):693.4581 Da
Derivative Type:TMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N[Si](C)(C)C)C(=O)O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file748 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available