Spectrum Details
BMDB ID:BMDB0062221
Compound name:Alanyl-Aspartic acid
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-001r-7900000000-3cd93b8b84d6c22da541
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:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C7H12N2O5
Molecular Weight (Monoisotopic Mass):204.0746 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file481 Bytes
Peak assignments (TSV)Download file1.01 KB
mzML formatted file (MZML)Download file4.65 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 ]