Hmdb loader
Spectrum Details
HMDB ID:HMDB0263464
Compound Name:PA(PGD1/16:1(9Z))
Derivative IUPAC Name:Not Available
Derivative SMILES:CCCCCC/C=C\CCCCCCCC(=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[Si](C)(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - PA(PGD1/16:1(9Z)) GC-MS (TMS_2_10) - 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:C39H69O11P
Molecular Weight (Monoisotopic Mass):744.4578 Da
Derivative Type:TMS_2_10
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCC/C=C\CCCCCCCC(=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[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file762 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available