Spectrum Details
FooDB ID:FDB030109
Compound name:(2R)-2-hydroxy-2-methylbutanenitrile
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-0pb9-9000000000-8c9ec91e633b064112ed
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:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C5H9NO
Molecular Weight (Monoisotopic Mass):99.0684 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file128 Bytes
Peak assignments (TSV)Download file223 Bytes
mzML formatted file (MZML)Download file4.17 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 ]