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:T3D0092
Compound name:Cyclotrimethylenetrinitramine
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-00di-0290000000-528c091277c138ba31b5
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:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C3H6N6O6
Molecular Weight (Monoisotopic Mass):222.0349 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file490 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1LLWQR8)Download file490 Bytes
mzML formatted file (MZML)Download file4.36 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.