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Spectrum Details
HMDB ID:HMDB0037153
Compound name:S-2,5-Dimethyl-3-furanyl 3-methylbutanethioate
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-000i-9200000000-1f378596a55910a0ed51
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:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C11H16O2S
Molecular Weight (Monoisotopic Mass):212.0871 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file750 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1E5GR41)Download file750 Bytes
mzML formatted file (MZML)Download file4.71 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.