Spectrum Details
MiMe ID:MMDBc0054226
Compound Name:3-hydroxy-cis,cis-muconic acid
Derivative IUPAC Name:(2E,4Z)-6-oxo-3,6-bis[(trimethylsilyl)oxy]hexa-2,4-dienoic acid
Derivative SMILES:C[Si](C)(C)OC(=O)/C=C\C(=C/C(=O)O)O[Si](C)(C)C
Derivative InChIKey:InChIKey=XABIENMSPMYBGB-UQGDGPGGSA-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:C6H6O5
Molecular Weight (Monoisotopic Mass):158.0215 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 file772 Bytes
mzML formatted file (MZML)Download file4.63 KB
References