Spectrum Details
CDB ID:CDB005145
Compound name:2-Oxo-3-phenylpropanoic acid (Mixture oxo and keto)
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-014i-5900000000-a107b725b71a6441a80c
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:Negative
Collision Energy:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C9H8O3
Molecular Weight (Monoisotopic Mass):164.0473 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file704 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-T21K8P)Download file704 Bytes
mzML formatted file (MZML)Download file4.55 KB
References
  1. Allen F, Greiner R, Wishart D: Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification. Metabolomics. 2015 11(1):98–110. doi: 10.1007/s11306-014-0676-4.