Spectrum Details
MiMe ID:MMDBc0031491
Compound Name:PG(10:0(3-OH)/16:1(9Z))
Derivative IUPAC Name:(2R)-1-({[(2S)-2,3-dihydroxypropoxy][(trimethylsilyl)oxy]phosphoryl}oxy)-3-[(3-hydroxydecanoyl)oxy]propan-2-yl (9Z)-hexadec-9-enoate
Derivative SMILES:CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CC(O)CCCCCCC)COP(=O)(OC[C@@H](O)CO)O[Si](C)(C)C
Derivative InChIKey:InChIKey=RERIYCUSWVNBGA-MCXVTTAJSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 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:C32H61O11P
Molecular Weight (Monoisotopic Mass):652.3951 Da
Derivative Type:TMS_1_4
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file773 Bytes
mzML formatted file (MZML)Download file4.63 KB
References