Hmdb loader
Spectrum Details
HMDB ID:HMDB0060427
Compound name:Acetone cyanohydrin
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-001i-9000000000-87949a2afd28ecc4b7f2
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:C4H7NO
Molecular Weight (Monoisotopic Mass):85.0528 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file53 Bytes
Peak assignments (TSV)Download file89 Bytes
mzML formatted file (MZML)Download file4.07 KB
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 ]