Hmdb loader
Spectrum Details
HMDB ID:HMDB0033902
Compound name:Isopentyl mercaptan
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-001i-9000000000-3f4055b3bab6ebed33ec
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:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C5H12S
Molecular Weight (Monoisotopic Mass):104.066 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file382 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1RMGER5)Download file382 Bytes
mzML formatted file (MZML)Download file4.25 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.