You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Yeast Metabolome Database.
Predicted LC-MS/MS Spectrum - 10V, Negative (YMDB00733)
Spectrum Details
YMDB ID: | YMDB00733 |
---|---|
Compound name: | 3-oxodocosanoyl-CoA |
Spectrum type: | Predicted LC-MS/MS Spectrum - 10V, Negative |
Splash Key: | splash10-0udi-2900000000-f8bae714e689b815da82 View in MoNA |
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: | C43H76N7O18P3S |
Molecular Weight (Monoisotopic Mass): | 1103.418 Da |
Molecular Weight (Avergae Mass): | 1104.086 Da |
Documentation
Document Description | Download |
---|---|
Generated list of m/z values for the spectrum | Download file |
Peak assignments | Download file |
mzML formatted file | Download file |
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 ]