Predicted LC-MS/MS Spectrum - 20V, Negative (FDB023035)
Spectrum Details
| FooDB ID: | FDB023035 |
|---|---|
| Compound name: | N-[(3a,5b,7a,12a)-3,12-Dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-glycine |
| Spectrum type: | Predicted LC-MS/MS Spectrum - 20V, Negative |
| Splash Key: | splash10-0002-3000930000-f62f0db1db3c100bce9d |
| 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: | 20 eV |
| Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C26H43NO9S |
| Molecular Weight (Monoisotopic Mass): | 545.2659 Da |
Documentation
| Document Description | Download | |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 526 Bytes |
| Generated list of m/z values for the spectrum (TXT-20190109-20465-Q1GXXF) | Download file | 526 Bytes |
| mzML formatted file (MZML) | Download file | 4.39 KB |
References
- Allen F, Greiner R, Wishart D: Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification. Metabolomics. 2015 11(1):98–110. doi: 10.1007/s11306-014-0676-4.