Spectrum Details
MiMe ID:MMDBc0056886
Compound Name:PA(15:0/14:0(3-OH))
Derivative IUPAC Name:[(2R)-3-(pentadecanoyloxy)-2-({3-[(trimethylsilyl)oxy]tetradecanoyl}oxy)propoxy]phosphonic acid
Derivative SMILES:CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)O[Si](C)(C)C
Derivative InChIKey:InChIKey=CHBXPPOYXFGCCX-ZHZZGXISSA-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:C32H63O9P
Molecular Weight (Monoisotopic Mass):622.421 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 file778 Bytes
mzML formatted file (MZML)Download file4.63 KB
References