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Spectrum Details
HMDB ID:HMDB0267459
Compound Name:PA(i-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))
Derivative IUPAC Name:Not Available
Derivative SMILES:CCCCC[C@H](O)/C=C/C=C\C=C\C=C\[C@H](O)[C@@H](O)CCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - PA(i-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) GC-MS (TMS_1_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:C36H63O11P
Molecular Weight (Monoisotopic Mass):702.4108 Da
Derivative Type:TMS_1_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCC[C@H](O)/C=C/C=C\C=C\C=C\[C@H](O)[C@@H](O)CCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)O[Si](C)(C)C)
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