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Spectrum Details
HMDB ID:HMDB0060330
Compound name:1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-00di-9310000000-b520192b7a6513cc59bb
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:C20H24N4O9S
Molecular Weight (Monoisotopic Mass):496.1264 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file749 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1C9WDBP)Download file749 Bytes
mzML formatted file (MZML)Download file4.58 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.