Hmdb loader
Spectrum Details
HMDB ID:HMDB0031242
Compound name:Dihydro-3(2H)-thiophenone
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-0zmi-9300000000-4852f51e992b471ea1d4
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:C4H6OS
Molecular Weight (Monoisotopic Mass):102.0139 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file528 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1DS63KR)Download file528 Bytes
mzML formatted file (MZML)Download file4.38 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.