Spectrum Details
CDB ID:CDB000987
Compound Name:LPA(18:2(9Z,12Z)/0:0)
Derivative IUPAC Name:(2R)-3-({bis[(trimethylsilyl)oxy]phosphoryl}oxy)-2-[(trimethylsilyl)oxy]propyl octadeca-9,12-dienoate
Derivative SMILES:CCCCCC=CCC=CCCCCCCCC(=O)OC[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
Derivative InChIKey:InChIKey=JLNMMUZUWZAYAU-GDLZYMKVSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (3 TMS) - 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:C30H63O7PSi3
Molecular Weight (Monoisotopic Mass):650.362 Da
Derivative Type:3 TMS
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCC=CCC=CCCCCCCCC(=O)OC[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file757 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available