Spectrum Details
MiMe ID:MMDBc0048260
Compound Name:5-Carboxymethyl-2-hydroxymuconate semialdehyde
Derivative IUPAC Name:(2Z,4Z)-5-formyl-2-hydroxy-7-oxo-7-[(trimethylsilyl)oxy]hepta-2,4-dienoic acid
Derivative SMILES:C[Si](C)(C)OC(=O)C/C(C=O)=C/C=C(\O)C(=O)O
Derivative InChIKey:InChIKey=HBIDSLYVSKIBER-XEQVNJCQSA-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:C8H8O6
Molecular Weight (Monoisotopic Mass):200.0321 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 file765 Bytes
mzML formatted file (MZML)Download file4.63 KB
References