Spectrum Details
FooDB ID:FDB018760
Compound name:3-Mercapto-3-methyl-1-butyl acetate
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-0a4i-9300000000-2f64581952b86b42ee39 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:Negative
Collision Energy:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C7H14O2S
Molecular Weight (Monoisotopic Mass):162.0715 Da
Molecular Weight (Avergae Mass):162.25 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.