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Spectrum Details
HMDB ID:HMDB0264815
Compound Name:PA(PGD1/20:1(11Z))
Derivative IUPAC Name:Not Available
Derivative SMILES:CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC[C@H]1[C@@H](O)C=C(O[Si](C)(C)C)[C@@H]1/C=C/[C@@H](O)CCCCC)COP(=O)(O)O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - PA(PGD1/20:1(11Z)) GC-MS (TMS_1_5) - 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:C43H77O11P
Molecular Weight (Monoisotopic Mass):800.5204 Da
Derivative Type:TMS_1_5
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC[C@H]1[C@@H](O)C=C(O[Si](C)(C)C)[C@@H]1/C=C/[C@@H](O)CCCCC)COP(=O)(O)O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file761 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available