Spectrum Details
MiMe ID:MMDBc0030048
Compound Name:cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol
Derivative IUPAC Name:(2E)-3-[(5S,6R)-6-hydroxy-5-[(trimethylsilyl)oxy]cyclohexa-1,3-dien-1-yl]prop-2-enoic acid
Derivative SMILES:C[Si](C)(C)O[C@H]1C=CC=C(/C=C/C(=O)O)[C@H]1O
Derivative InChIKey:InChIKey=QFXQUAIMFSNDAA-PXYQHZOESA-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:C9H10O4
Molecular Weight (Monoisotopic Mass):182.0579 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 file772 Bytes
mzML formatted file (MZML)Download file4.63 KB
References