Spectrum Details
MiMe ID:MMDBc0017106
Compound Name:Clavorubin
Derivative IUPAC Name:trimethylsilyl 1,8-dihydroxy-3-methyl-9,10-dioxo-5,6-bis[(trimethylsilyl)oxy]-9,10-dihydroanthracene-2-carboxylate
Derivative SMILES:CC1=CC2=C(C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O)=C1C(=O)O[Si](C)(C)C
Derivative InChIKey:InChIKey=ZJFAEWCZJATSFY-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_3_9) - 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:C16H10O8
Molecular Weight (Monoisotopic Mass):330.0376 Da
Derivative Type:TMS_3_9
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file770 Bytes
mzML formatted file (MZML)Download file4.63 KB
References