Spectrum Details
MiMe ID:MMDBc0047895
Compound name:3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-01b9-1000006900-cb402f82540d9424fe54
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:C6H7O27P7
Molecular Weight (Monoisotopic Mass):727.7404 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file757 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1EL3HTZ)Download file757 Bytes
mzML formatted file (MZML)Download file4.57 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.