Spectrum Details
MiMe ID:MMDBc0054264
Compound Name:4-carboxy-2-hydroxy-cis,cis-muconic acid
Derivative IUPAC Name:(2E,4E)-2-[(trimethylsilyl)oxy]-4-{[(trimethylsilyl)oxy]carbonyl}hexa-2,4-dienedioic acid
Derivative SMILES:C[Si](C)(C)OC(=O)C(=C/C(=O)O)/C=C(/O[Si](C)(C)C)C(=O)O
Derivative InChIKey:InChIKey=JWAPYSNBNKIIDV-DGLUDJRXSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 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:C7H6O7
Molecular Weight (Monoisotopic Mass):202.0114 Da
Derivative Type:TMS_2_4
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