You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Toxin, Toxin Target Database.
Spectrum Details
T3DB ID:T3D0103
Compound name:1,3,5-Trinitrobenzene
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Negative
Splash Key:splash10-03di-0090000000-cc780cd5655f0b1ffd2a
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:10 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C6H3N3O6
Molecular Weight (Monoisotopic Mass):213.0022 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file244 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-ICZBUV)Download file244 Bytes
mzML formatted file (MZML)Download file4.14 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.