Hmdb loader
Spectrum Details
HMDB ID:HMDB0245517
Compound name:2,6-Diisocyanatotoluene
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-00di-2900000000-7a647c8385266cfa173f
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:C9H6N2O2
Molecular Weight (Monoisotopic Mass):174.0429 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file147 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-19LLNJU)Download file147 Bytes
mzML formatted file (MZML)Download file4.04 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.