Hmdb loader
Survey
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Spectrum Details
HMDB ID:HMDB0266529
Compound Name:PA(2:0/5-iso PGF2VI)
Derivative IUPAC Name:Not Available
Derivative SMILES:CCCCC[C@H](/C=C/[C@@H]1[C@H](C/C=C\CC(=O)O[C@H](COC(C)=O)COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C[C@H]1O)O[Si](C)(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - PA(2:0/5-iso PGF2VI) GC-MS (TMS_2_3) - 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:C23H39O11P
Molecular Weight (Monoisotopic Mass):522.223 Da
Derivative Type:TMS_2_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCC[C@H](/C=C/[C@@H]1[C@H](C/C=C\CC(=O)O[C@H](COC(C)=O)COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C[C@H]1O)O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file753 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available