Spectrum Details
MiMe ID:MMDBc0029779
Compound name:3-(2,3-Dihydroxyphenyl)propionic acid
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-001i-2900000000-2bce8c4577dcaa36c5ec
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:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C9H9O4
Molecular Weight (Monoisotopic Mass):181.0501 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file770 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1MHKHH7)Download file763 Bytes
mzML formatted file (MZML)Download file4.58 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.