Spectrum Details
FooDB ID:FDB093652
Compound name:5-(3'-Hydroxyphenyl)-γ-valerolactone 3'-sulfate
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-006y-1940000000-6b02ab2f30b57f3e381a
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:C11H12O6S
Molecular Weight (Monoisotopic Mass):272.0355 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file406 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1RZ4K03)Download file406 Bytes
mzML formatted file (MZML)Download file4.29 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.