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Spectrum Details
HMDB ID:HMDB0258416
Compound Name:(11S)-11-Methyl-15,17-bis(oxidanyl)-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraene-7,13-dione
Derivative IUPAC Name:Not Available
Derivative SMILES:CC1CCC=C(O[Si](C)(C)C)CCCC=CC2=CC(O)=CC(O[Si](C)(C)C)=C2C(=O)O1
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - (11S)-11-Methyl-15,17-bis(oxidanyl)-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraene-7,13-dione GC-MS (TMS_2_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:C18H22O5
Molecular Weight (Monoisotopic Mass):318.1467 Da
Derivative Type:TMS_2_5
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1CCC=C(O[Si](C)(C)C)CCCC=CC2=CC(O)=CC(O[Si](C)(C)C)=C2C(=O)O1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available