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Spectrum Details
T3DB ID:T3D3951
Compound name:Demeclocycline
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Negative
Splash Key:splash10-03di-0001900000-313f2690b1b4b1750c3a
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:10 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 file847 Bytes
Peak assignments (TSV)Download file4.05 KB
mzML formatted file (MZML)Download file5.11 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 ]