Spectrum Details
MiMe ID:MMDBc0056851
Compound Name:PA(12:0(3-OH)/12:0(3-OH))
Derivative IUPAC Name:(2R)-1-({bis[(trimethylsilyl)oxy]phosphoryl}oxy)-3-[(3-hydroxydodecanoyl)oxy]propan-2-yl 3-hydroxydodecanoate
Derivative SMILES:CCCCCCCCCC(O)CC(=O)OC[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(=O)CC(O)CCCCCCCCC
Derivative InChIKey:InChIKey=VBKGZAXWFWJTDV-QMJLEDSTSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_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:C27H53O10P
Molecular Weight (Monoisotopic Mass):568.3376 Da
Derivative Type:TMS_2_4
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file775 Bytes
mzML formatted file (MZML)Download file4.63 KB
References