Spectrum Details
MiMe ID:MMDBc0056410
Compound Name:PS(16:0/15:0)
Derivative IUPAC Name:(2S)-2-[(tert-butyldimethylsilyl)amino]-3-({[(2R)-3-(hexadecanoyloxy)-2-(pentadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid
Derivative SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)OC(=O)CCCCCCCCCCCCCC
Derivative InChIKey:InChIKey=ZIEWRTKHNGALPS-RGULYWFUSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_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:C37H72NO10P
Molecular Weight (Monoisotopic Mass):721.4894 Da
Derivative Type:TBDMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)OC(=O)CCCCCCCCCCCCCC)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file754 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available