Spectrum Details
BMDB ID:BMDB0001263
Compound name:Allysine
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0006-9000000000-3fc953bdebc8fddb25d1
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:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C6H11NO3
Molecular Weight (Monoisotopic Mass):145.0739 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file97 Bytes
Peak assignments (TSV)Download file147 Bytes
mzML formatted file (MZML)Download file4.13 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 ]