Spectrum Details
MiMe ID:MMDBc0031465
Compound Name:PG(14:0/14:0(3-OH))
Derivative IUPAC Name:[(2S)-2-hydroxy-3-[(trimethylsilyl)oxy]propoxy][(2R)-2-[(3-hydroxytetradecanoyl)oxy]-3-(tetradecanoyloxy)propoxy]phosphinic acid
Derivative SMILES:CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO[Si](C)(C)C)OC(=O)CC(O)CCCCCCCCCCC
Derivative InChIKey:InChIKey=YRWKYSRYKPZLHI-UWGUOLQLSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 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:C34H67O11P
Molecular Weight (Monoisotopic Mass):682.4421 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file772 Bytes
mzML formatted file (MZML)Download file4.63 KB
References