Spectrum Details
FooDB ID:FDB008080
Compound name:3-Hexanone
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Negative
Splash Key:splash10-0002-9000000000-0e54355e695222772a5f
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:C6H12O
Molecular Weight (Monoisotopic Mass):100.0888 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file601 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-6WDFKJ)Download file586 Bytes
mzML formatted file (MZML)Download file4.42 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.