Predicted LC-MS/MS Spectrum

Spectrum Details
Compound Name:THEOBROMINE
Spectrum Type:Predicted LC-MS/MS Spectrum
Splash Key:splash10-056u-5900000000-01e2f3867fda0a6ca856
Spectrum View
Experimental Conditions
Ionization Mode:Negative
Collision Energy:medium
Collision Energy (V):20
Adduct:M-H
Notes

Predicted by CFM-ID 4.0

References
  • 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]