Spectrum Details
MiMe ID:MMDBc0056961
Compound Name:PA(i-19:0/14:0(3-OH))
Derivative IUPAC Name:(2R)-3-({bis[(trimethylsilyl)oxy]phosphoryl}oxy)-2-({3-[(trimethylsilyl)oxy]tetradecanoyl}oxy)propyl 17-methyloctadecanoate
Derivative SMILES:CCCCCCCCCCCC(CC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
Derivative InChIKey:InChIKey=KQQMSWOGBPBJIP-XFCPCMSTSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_3_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:C36H71O9P
Molecular Weight (Monoisotopic Mass):678.4836 Da
Derivative Type:TMS_3_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file776 Bytes
mzML formatted file (MZML)Download file4.63 KB
References