Spectrum Details
MiMe ID:MMDBc0056413
Compound Name:PS(18:1(9Z)/15:0)
Derivative IUPAC Name:(2S)-2-[(tert-butyldimethylsilyl)amino]-3-({hydroxy[(2R)-3-[(9Z)-octadec-9-enoyloxy]-2-(pentadecanoyloxy)propoxy]phosphoryl}oxy)propanoic acid
Derivative SMILES:CCCCCCCC/C=C\CCCCCCCC(=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=IBPIHNNHRSAYII-CSSXIORPSA-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:C39H74NO10P
Molecular Weight (Monoisotopic Mass):747.505 Da
Derivative Type:TBDMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCC/C=C\CCCCCCCC(=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 file755 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available