Spectrum Details
BMDB ID:BMDB0062260
Compound name:Threoninyl-Aspartate
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-0q29-9700000000-72d62f82833425bc8563
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:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C8H14N2O6
Molecular Weight (Monoisotopic Mass):234.0852 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file444 Bytes
Peak assignments (TSV)Download file911 Bytes
mzML formatted file (MZML)Download file4.6 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 ]