Predicted LC-MS/MS Spectrum - 10V, Negative (HMDB0254912)
Spectrum Details
| HMDB ID: | HMDB0254912 |
|---|---|
| Compound name: | (Z)-2-((R)-1-((S)-1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl)-4-((2-(3-methoxyphenyl)-2-oxoethyl)thio)piperidin-3-ylidene)acetic acid |
| Spectrum type: | Predicted LC-MS/MS Spectrum - 10V, Negative |
| Splash Key: | splash10-0udl-0006950000-35f6b8d9a28df803f8b6 |
| Notes: | This is a predicted spectrum and it should only be used as a guide, further evidence is required to confirm identification. |
Spectrum View
Relative Intensity
m/z
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: | C25H26ClNO6S |
| Molecular Weight (Monoisotopic Mass): | 503.1169 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 ]