Spectrum Details
T3DB ID:T3D1667
Compound name:2,4-Toluene diisocyanate
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-004i-9600000000-4e85f0db6eb042d3650b
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:40 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
Generated list of m/z values for the spectrum (TSV)Download file740 Bytes
Peak assignments (TSV)Download file1.6 KB
mzML formatted file (MZML)Download file5.01 KB
References
  1. Wang F, Liigand J, Tian S, Arndt D, Greiner R, and Wishart D. CFM-ID 4.0: More Accurate ESI MS/MS Spectral Prediction and Compound Identification. Analytical Chemistry202193 (34), 11692-11700 DOI: 10.1021/acs.analchem.1c01465 [PubMed: 34403256 ]