Predicted LC-MS/MS Spectrum - 40V, Positive (HMDB0252754)
Spectrum Details
| HMDB ID: | HMDB0252754 |
|---|---|
| Compound name: | 4-[[(2R)-1-(1-Benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-[(3-chlorophenyl)methyl]amino]butanoic acid |
| Spectrum type: | Predicted LC-MS/MS Spectrum - 40V, Positive |
| Splash Key: | splash10-08fr-6913000000-032f4b609819765637f9 |
| 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: | C25H25ClN2O4S |
| Molecular Weight (Monoisotopic Mass): | 484.1224 Da |
Documentation
Not Available
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 ]