Spectrum Details
MiMe ID:MMDBc0031444
Compound Name:PG(10:0(3-OH)/12:0(3-OH))
Derivative IUPAC Name:[(2S)-2,3-dihydroxypropoxy][(2R)-2-[(3-hydroxydodecanoyl)oxy]-3-({3-[(trimethylsilyl)oxy]decanoyl}oxy)propoxy]phosphinic acid
Derivative SMILES:CCCCCCCCCC(O)CC(=O)O[C@H](COC(=O)CC(CCCCCCC)O[Si](C)(C)C)COP(=O)(O)OC[C@@H](O)CO
Derivative InChIKey:InChIKey=QWHNGCQTIFPYFW-VJCJCUICSA-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:C28H55O12P
Molecular Weight (Monoisotopic Mass):614.3431 Da
Derivative Type:TMS_1_3
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file769 Bytes
mzML formatted file (MZML)Download file4.63 KB
References