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Spectrum Details
HMDB ID:HMDB0000978
Compound Name:4-(2-Aminophenyl)-2,4-dioxobutanoic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:Not Available
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - 4-(2-Aminophenyl)-2,4-dioxobutanoic acid GC-MS (Non-derivatized) - 70eV, Positive
Splash Key:splash10-02ml-9600000000-9ee4bc222cfbefcf7167
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:C10H9NO4
Molecular Weight (Monoisotopic Mass):207.0532 Da
Notes
Predicted by CFMID-EI, energy0
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file741 Bytes
Generated list of m/z values for the spectrum (TXT)Download file741 Bytes
mzML formatted file (MZML)Download file4.65 KB
References
  1. Allen F, Pon A, Greiner R, Wishart D: Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification. Anal Chem. 2016 Aug 2;88(15):7689-97. doi: 10.1021/acs.analchem.6b01622. Epub 2016 Jul 21. [PubMed: 27381172 ]