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Spectrum Details
HMDB ID:HMDB0266595
Compound Name:PA(8:0/20:4(5Z,8Z,11Z,14Z)-OH(19S))
Derivative IUPAC Name:Not Available
Derivative SMILES:CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[Si](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCC[C@H](C)O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - PA(8:0/20:4(5Z,8Z,11Z,14Z)-OH(19S)) GC-MS (TMS_1_2) - 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:C31H53O9P
Molecular Weight (Monoisotopic Mass):600.3427 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[Si](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCC[C@H](C)O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file752 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available