Spectrum Details
CDB ID:CDB001225
Compound Name:PGP(16:0/16:0)
Derivative IUPAC Name:[(2S)-3-({[(2R)-2,3-bis(hexadecanoyloxy)propoxy][(trimethylsilyl)oxy]phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid
Derivative SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OC[C@@H](O)COP(=O)(O)O)O[Si](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
Derivative InChIKey:InChIKey=IULZRZPMIXVDRL-PISSZWJWSA-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:C38H76O13P2
Molecular Weight (Monoisotopic Mass):802.4761 Da
Derivative Type:TMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OC[C@@H](O)COP(=O)(O)O)O[Si](C)(C)C)OC(=O)CCCCCCCCCCCCCCC)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file751 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available