Spectrum Details
BMDB ID:BMDB0062216
Compound name:Ergothioneine
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-01q9-0960000000-7536b2e5a9447d8762e8
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:C9H15N3O2S
Molecular Weight (Monoisotopic Mass):229.0885 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file263 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-UECJJW)Download file263 Bytes
mzML formatted file (MZML)Download file4.16 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.