Spectrum Details
MiMe ID:MMDBc0031447
Compound Name:PG(14:0/12:0(3-OH))
Derivative IUPAC Name:(2R)-3-({[(2S)-2-hydroxy-3-[(trimethylsilyl)oxy]propoxy][(trimethylsilyl)oxy]phosphoryl}oxy)-2-({3-[(trimethylsilyl)oxy]dodecanoyl}oxy)propyl tetradecanoate
Derivative SMILES:CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OC[C@@H](O)CO[Si](C)(C)C)O[Si](C)(C)C)OC(=O)CC(CCCCCCCCC)O[Si](C)(C)C
Derivative InChIKey:InChIKey=GOZBBFVUNRKIGO-MLWVJSDCSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_3_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:C32H63O11P
Molecular Weight (Monoisotopic Mass):654.4108 Da
Derivative Type:TMS_3_4
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file771 Bytes
mzML formatted file (MZML)Download file4.63 KB
References