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Predicted LC-MS/MS Spectrum - 40V, Positive (YMDB00725)
Spectrum Details
YMDB ID: | YMDB00725 |
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Compound name: | N-Formyl-L-kynurenine |
Spectrum type: | Predicted LC-MS/MS Spectrum - 40V, Positive |
Splash Key: | splash10-00dl-6900000000-62029190bf6bbbd9f219 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: | Positive |
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Collision Energy: | 40 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C11H12N2O4 |
Molecular Weight (Monoisotopic Mass): | 236.0797 Da |
Molecular Weight (Avergae Mass): | 236.224 Da |
Documentation
Document Description | Download |
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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 ]