Hmdb loader
Spectrum Details
HMDB ID:HMDB0031488
Compound name:2-Hepten-4-one
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-03di-9700000000-9f85d10433c2fc153e3b
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:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C7H12O
Molecular Weight (Monoisotopic Mass):112.0888 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file631 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-ZXBZ7O)Download file631 Bytes
mzML formatted file (MZML)Download file4.47 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.