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Spectrum Details
YMDB ID:YMDB01375
Compound name:1-[2,6,6-Trimethyl-1,3-cyclohexadien-1-yl]-2-buten-1-one
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Negative
Splash Key:splash10-000i-0900000000-3f94da9b260ed91041b8 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:Negative
Collision Energy:10 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C13H18O
Molecular Weight (Monoisotopic Mass):190.1358 Da
Molecular Weight (Avergae Mass):190.2814 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.