Spectrum Details
MiMe ID:MMDBc0000466
Compound name:Alanylleucine
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0006-9200000000-3f37e34cbcbdf745cca8
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:C9H18N2O3
Molecular Weight (Monoisotopic Mass):202.1317 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file293 Bytes
Peak assignments (TSV)Download file555 Bytes
mzML formatted file (MZML)Download file4.41 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 ]