Spectrum Details
ECMDB ID:ECMDB21642
Compound name:(S)-3-Hydroxybutanoyl-CoA
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-01p9-1912000000-399c515245dec6a2cc71 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
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:C25H42N7O18P3S
Molecular Weight (Monoisotopic Mass):853.152 Da
Molecular Weight (Avergae Mass):853.623 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.