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Spectrum Details
HMDB ID:HMDB0124856
Compound Name:[6,12-bis(3,4-dihydroxyphenyl)-8-hydroxy-4-oxo-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-13-yl]oxidanesulfonic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)OC1=CC=C(C2CC(=O)OC3=C4CC(OS(=O)(=O)O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C32)C=C1O[Si](C)(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - [6,12-bis(3,4-dihydroxyphenyl)-8-hydroxy-4-oxo-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-13-yl]oxidanesulfonic acid GC-MS (TMS_2_13) - 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:C24H20O12S
Molecular Weight (Monoisotopic Mass):532.0675 Da
Derivative Type:TMS_2_13
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC=C(C2CC(=O)OC3=C4CC(OS(=O)(=O)O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C32)C=C1O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file760 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available