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Spectrum Details
T3DB ID:T3D4021
Compound name:Digitoxin
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-03fu-4900001400-f7f7a9a96401f1317dd0
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:C41H64O13
Molecular Weight (Monoisotopic Mass):764.4347 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file2.51 KB
Peak assignments (TSV)Download file11.8 KB
mzML formatted file (MZML)Download file7.46 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 ]