Spectrum Details
MiMe ID:MMDBc0032426
Compound Name:PGP(18:1(9Z)/12:0(3-OH))
Derivative IUPAC Name:[(2R)-3-({hydroxy[(2R)-2-[(3-hydroxydodecanoyl)oxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphoryl}oxy)-2-[(trimethylsilyl)oxy]propoxy]phosphonic acid
Derivative SMILES:CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(=O)CC(O)CCCCCCCCC
Derivative InChIKey:InChIKey=RSDRJRWLMPOPFY-HTMPYKACSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 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:C36H70O14P2
Molecular Weight (Monoisotopic Mass):788.4241 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file780 Bytes
mzML formatted file (MZML)Download file4.63 KB
References