Spectrum Details
T3DB ID:T3D2460
Compound name:Ergotamine
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Positive
Splash Key:splash10-001i-0000090000-34b8023f9528c85e96bc
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:10 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C33H35N5O5
Molecular Weight (Monoisotopic Mass):581.2638 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file532 Bytes
Peak assignments (TSV)Download file3.12 KB
mzML formatted file (MZML)Download file4.67 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 ]