Spectrum Details
T3DB ID:T3D0780
Compound name:Methyl isothiocyanate
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-00di-9000000000-9e71c2e3c8188c76c9f9
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:C2H3NS
Molecular Weight (Monoisotopic Mass):72.9986 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file70 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1E6EX4V)Download file70 Bytes
mzML formatted file (MZML)Download file3.99 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.