Hmdb loader
Spectrum Details
HMDB ID:HMDB0031488
Compound name:2-Hepten-4-one
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-03xr-8900000000-0435d0f2a5da6653f51d
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: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
Not Available
References
  1. Wang F, Liigand J, Tian S, Arndt D, Greiner R, and Wishart D. CFM-ID 4.0: More Accurate ESI MS/MS Spectral Prediction and Compound Identification. Analytical Chemistry202193 (34), 11692-11700 DOI: 10.1021/acs.analchem.1c01465 [PubMed: 34403256 ]