Spectrum Details
BMDB ID:BMDB0062262
Compound name:Threoninyl-Valine
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-0a4i-9100000000-9a931e8a3f5856a456bf
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:C9H18N2O4
Molecular Weight (Monoisotopic Mass):218.1267 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file359 Bytes
Peak assignments (TSV)Download file685 Bytes
mzML formatted file (MZML)Download file4.49 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 ]