Spectrum Details
MiMe ID:MMDBc0049966
Compound Name:2-Oxohept-3-ene-1,7-dioate
Derivative IUPAC Name:(3Z)-2,7-dioxo-7-[(trimethylsilyl)oxy]hept-3-enoic acid
Derivative SMILES:C[Si](C)(C)OC(=O)CC/C=C\C(=O)C(=O)O
Derivative InChIKey:InChIKey=FVQYPONNQRWKQF-XQRVVYSFSA-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:C7H8O5
Molecular Weight (Monoisotopic Mass):172.0372 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 file767 Bytes
mzML formatted file (MZML)Download file4.63 KB
References