Spectrum Details
MiMe ID:MMDBc0054706
Compound name:(4R,7R)-4-isopropenyl-7-methyloxepan-2-one
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Negative
Splash Key:splash10-00di-4900000000-4f6a8534ca438c883a3b
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:C3H9N3O3S
Molecular Weight (Monoisotopic Mass):167.0365 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file759 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-KZ2R6B)Download file754 Bytes
mzML formatted file (MZML)Download file4.57 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.