Spectrum Details
MiMe ID:MMDBc0054904
Compound Name:(3R)-3,8,9,10-tetrahydroxy-6-methyl-1,2,3,4-tetrahydroanthracen-1-one
Derivative IUPAC Name:(3R)-8,10-dihydroxy-6-methyl-3,9-bis[(trimethylsilyl)oxy]-1,2,3,4-tetrahydroanthracen-1-one
Derivative SMILES:CC1=CC(O)=C2C(O[Si](C)(C)C)=C3C(=O)C[C@H](O[Si](C)(C)C)CC3=C(O)C2=C1
Derivative InChIKey:InChIKey=KAIIVVRQIUFREM-CYBMUJFWSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 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:C15H14O5
Molecular Weight (Monoisotopic Mass):274.0841 Da
Derivative Type:TMS_2_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file766 Bytes
mzML formatted file (MZML)Download file4.63 KB
References