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Spectrum Details
T3DB ID:T3D3951
Compound name:Demeclocycline
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-001i-7039800000-fa843a609f56e5c2ae51
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:C21H21ClN2O8
Molecular Weight (Monoisotopic Mass):464.0986 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file1.47 KB
Peak assignments (TSV)Download file7.24 KB
mzML formatted file (MZML)Download file6.04 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 ]