Spectrum Details
MiMe ID:MMDBc0029894
Compound Name:PG(16:0/16:1(9Z))
Derivative IUPAC Name:(2R)-1-(hexadecanoyloxy)-3-({[(2S)-2-hydroxy-3-[(trimethylsilyl)oxy]propoxy][(trimethylsilyl)oxy]phosphoryl}oxy)propan-2-yl (9Z)-hexadec-9-enoate
Derivative SMILES:CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(OC[C@@H](O)CO[Si](C)(C)C)O[Si](C)(C)C
Derivative InChIKey:InChIKey=RHHDKMIIIBIXIC-SWQOKIBMSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_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:C38H73O10P
Molecular Weight (Monoisotopic Mass):720.4941 Da
Derivative Type:TMS_2_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(OC[C@@H](O)CO[Si](C)(C)C)O[Si](C)(C)C)
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