Spectrum Details
BMDB ID:BMDB0031511
Compound name:Diacetone alcohol
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Positive
Splash Key:splash10-0002-9200000000-28461077d208c6f1dcdc
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:10 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C6H12O2
Molecular Weight (Monoisotopic Mass):116.0837 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file270 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1V1F6E)Download file270 Bytes
mzML formatted file (MZML)Download file4.15 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.