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Spectrum Details
HMDB ID:HMDB0039083
Compound Name:6''-O-Malonylwistin
Derivative IUPAC Name:Not Available
Derivative SMILES:COC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(OC)C=C3C2=O)C=C1
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - 6''-O-Malonylwistin GC-MS (TMS_2_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:C26H26O13
Molecular Weight (Monoisotopic Mass):546.1373 Da
Derivative Type:TMS_2_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(OC)C=C3C2=O)C=C1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file756 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available