Spectrum Details
T3DB ID:T3D3062
Compound name:Calcipotriol
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Positive
Splash Key:splash10-06tb-0139300000-4a9257a0b1cf140f5b7a
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:C27H40O3
Molecular Weight (Monoisotopic Mass):412.2977 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file2.06 KB
Peak assignments (TSV)Download file7.85 KB
mzML formatted file (MZML)Download file6.83 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 ]