Spectrum Details
T3DB ID:T3D1668
Compound name:2,6-Toluene diisocyanate
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Positive
Splash Key:splash10-004i-0900000000-515ef3ca69f4a56c78c9
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:10 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C9H6N2O2
Molecular Weight (Monoisotopic Mass):174.0429 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file394 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1I3IESG)Download file394 Bytes
mzML formatted file (MZML)Download file4.27 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.