Spectrum Details
FooDB ID:FDB111698
Compound name:4-Hydroxy-5-(3',4',5'-trihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0229-9550000000-f630e436fba5d31f80bf
Notes:This is a predicted spectrum and it should only be used as a guide, further evidence is required to confirm identification.
Spectrum View
Relative Intensity
20406080100
20406080100020406080100120140160180200220240260280
020406080100120140160180200220240260280
m/z
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:C18H24O13
Molecular Weight (Monoisotopic Mass):448.1217 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file743 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1CQJAHT)Download file743 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.