Spectrum Details
MiMe ID:MMDBc0057008
Compound Name:PGP(10:0/15:0)
Derivative IUPAC Name:[(2S)-3-({[(2R)-3-(decanoyloxy)-2-(pentadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-[(trimethylsilyl)oxy]propoxy]phosphonic acid
Derivative SMILES:CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)OC[C@H](COP(=O)(O)O)O[Si](C)(C)C
Derivative InChIKey:InChIKey=WWENMCYQWKNWKH-ZWXJPIIXSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 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:C31H62O13P2
Molecular Weight (Monoisotopic Mass):704.3666 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file782 Bytes
mzML formatted file (MZML)Download file4.63 KB
References