Spectrum Details
MiMe ID:MMDBc0031462
Compound Name:PG(10:0(3-OH)/14:0(3-OH))
Derivative IUPAC Name:(2R)-1-({[(2S)-2,3-dihydroxypropoxy][(trimethylsilyl)oxy]phosphoryl}oxy)-3-({3-[(trimethylsilyl)oxy]decanoyl}oxy)propan-2-yl 3-hydroxytetradecanoate
Derivative SMILES:CCCCCCCCCCCC(O)CC(=O)O[C@H](COC(=O)CC(CCCCCCC)O[Si](C)(C)C)COP(=O)(OC[C@@H](O)CO)O[Si](C)(C)C
Derivative InChIKey:InChIKey=ALILKUGQVRTKJJ-LUPVXWLZSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 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:C30H59O12P
Molecular Weight (Monoisotopic Mass):642.3744 Da
Derivative Type:TMS_2_9
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file777 Bytes
mzML formatted file (MZML)Download file4.63 KB
References