Predicted LC-MS/MS Spectrum - 20V, Negative (M2MDB000967)

Spectrum Details
ECMDB ID:ECMDB20119
Compound name:Benzo[a]pyrene-7,8-diol
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-000i-0090000000-40d4296cbb4974e7d7c7 View in MoNA
Notes:This is a predicted spectrum and it should only be used as a guide, further evidence is required to confirm identification.
Spectrum View
Relative Intensity
20406080100
20406080100020406080100120140160180200220240260280
020406080100120140160180200220240260280
m/z
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:C20H14O2
Molecular Weight (Monoisotopic Mass):286.0994 Da
Molecular Weight (Avergae Mass):286.324 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
Generated list of m/z values for the spectrumDownload file
mzML formatted fileDownload file
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.