Predicted LC-MS/MS Spectrum - 20V, Positive (YMDB01640)

Spectrum Details
YMDB ID:YMDB01640
Compound name:Astringin
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-0002-0290000000-c10923f618c680272a58 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
20406080100020406080100120140160180200220240260280300320340360380400
020406080100120140160180200220240260280300320340360380400
m/z
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:C20H22O9
Molecular Weight (Monoisotopic Mass):406.1264 Da
Molecular Weight (Avergae Mass):406.3833 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.