Spectrum Details
FooDB ID:FDB093653
Compound name:5-(3',4'-Dihydroxyphenyl)-γ-valerolactone 3'-glucuronide
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-01x9-0019000000-a0e0eef1f58ba08fca4e View in MoNA
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
Collision Energy:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C18H22O10
Molecular Weight (Monoisotopic Mass):398.1213 Da
Molecular Weight (Avergae Mass):398.3613 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
Generated list of m/z values for the spectrumDownload file
mzML formatted fileDownload file
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.