Predicted LC-MS/MS Spectrum - 10V, Negative (HMDB0002472)
Spectrum Details
| HMDB ID: | HMDB0002472 |
|---|---|
| Compound name: | (3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid |
| Spectrum type: | Predicted LC-MS/MS Spectrum - 10V, Negative |
| Splash Key: | splash10-0006-0000019000-01043e8c2d7c4af029ad |
| 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: | C32H51NO12 |
| Molecular Weight (Monoisotopic Mass): | 641.3411 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 ]