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Spectrum Details
HMDB ID:HMDB0005846
Compound name:Ethyl isopropyl ketone
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-0udi-8900000000-f29a5d1fc06f1e264627
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:C6H12O
Molecular Weight (Monoisotopic Mass):100.0888 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file533 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1G3RB05)Download file533 Bytes
mzML formatted file (MZML)Download file4.38 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.