Spectrum Details
T3DB ID:T3D2339
Compound Name:Cercosporamide
Derivative IUPAC Name:5-hydroxy-1-methyl-13-oxo-3,11-bis[(trimethylsilyl)oxy]-12-{1-[(trimethylsilyl)oxy]ethenyl}-8-oxatricyclo[7.4.0.0²,⁷]trideca-2,4,6,9,11-pentaene-6-carboxamide
Derivative SMILES:C=C(O[Si](C)(C)C)C1=C(O[Si](C)(C)C)C=C2OC3=C(C(N)=O)C(O)=CC(O[Si](C)(C)C)=C3C2(C)C1=O
Derivative InChIKey:InChIKey=XFVWYLZUMBNANV-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_3_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:C16H13NO7
Molecular Weight (Monoisotopic Mass):331.0692 Da
Derivative Type:TMS_3_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=C(O[Si](C)(C)C)C1=C(O[Si](C)(C)C)C=C2OC3=C(C(N)=O)C(O)=CC(O[Si](C)(C)C)=C3C2(C)C1=O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file746 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available