Predicted LC-MS/MS Spectrum - 40V, Positive (HMDB0247374)
Spectrum Details
HMDB ID: | HMDB0247374 |
---|---|
Compound name: | 2-({5-Chloro-2-[(2-Methoxy-4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl}amino)-N-Methylbenzamide |
Spectrum type: | Predicted LC-MS/MS Spectrum - 40V, Positive |
Splash Key: | splash10-01r6-1219600000-e8a9da5edc2763a21895 |
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: | 40 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C23H25ClN6O3 |
Molecular Weight (Monoisotopic Mass): | 468.1677 Da |
Documentation
Document Description | Download | |
---|---|---|
Generated list of m/z values for the spectrum (TSV) | Download file | 1.82 KB |
Peak assignments (TSV) | Download file | 8.17 KB |
mzML formatted file (MZML) | Download file | 6.46 KB |
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 ]