Spectrum Details
FooDB ID:FDB002479
Compound name:(3S,3'R,4xi)-beta,beta-Carotene-3,3',4-triol
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-014i-0221290000-789aac0f74d73dda905a
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:Negative
Collision Energy:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C40H56O3
Molecular Weight (Monoisotopic Mass):584.4229 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.