Predicted LC-MS/MS Spectrum - 10V, Positive (HMDB0302016)
Spectrum Details
| HMDB ID: | HMDB0302016 |
|---|---|
| Compound name: | (3beta,4alpha,22beta)-22-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid |
| Spectrum type: | Predicted LC-MS/MS Spectrum - 10V, Positive |
| Splash Key: | splash10-0fmi-4090000102-4b9ddb3cdfd4fae5d193 |
| 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: | 10 eV |
| Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C59H96O26 |
| Molecular Weight (Monoisotopic Mass): | 1220.619 Da |
Documentation
| Document Description | Download | |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 3.17 KB |
| Peak assignments (TSV) | Download file | 28.3 KB |
| mzML formatted file (MZML) | Download file | 8.07 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 ]