Spectrum Details
MiMe ID:MMDBc0006507
Compound Name:3-hydroxy-2,5-toluqui­none
Derivative IUPAC Name:2-methyl-6-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1,4-dione
Derivative SMILES:CC1=CC(=O)C=C(O[Si](C)(C)C)C1=O
Derivative InChIKey:InChIKey=XFOYGLSICTXKKV-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 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:C7H6O3
Molecular Weight (Monoisotopic Mass):138.0317 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file760 Bytes
mzML formatted file (MZML)Download file4.63 KB
References