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Predicted LC-MS/MS Spectrum - 20V, Negative (M2MDB000258)

Spectrum Details
ECMDB ID:ECMDB01113
Compound name:Isovaleryl-CoA
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-001i-4910010000-a35d045727f719b447d4 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
20406080100050100150200250300350400450500550600650700750800
050100150200250300350400450500550600650700750800
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:C26H44N7O17P3S
Molecular Weight (Monoisotopic Mass):851.1727 Da
Molecular Weight (Avergae Mass):851.651 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.