Spectrum Details
MiMe ID:MMDBc0054041
Compound Name:(2R,3S)-3-phenylcyclohexa-3,5-diene-1,2-diol
Derivative IUPAC Name:trimethyl({[(1R,6S)-2-phenyl-6-[(trimethylsilyl)oxy]cyclohexa-2,4-dien-1-yl]oxy})silane
Derivative SMILES:C[Si](C)(C)O[C@H]1C=CC=C(C2=CC=CC=C2)[C@H]1O[Si](C)(C)C
Derivative InChIKey:InChIKey=LMBDCNIOCRNTNI-ZWKOTPCHSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_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:C12H12O2
Molecular Weight (Monoisotopic Mass):188.0837 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file768 Bytes
mzML formatted file (MZML)Download file4.63 KB
References