Predicted LC-MS/MS Spectrum - 20V, Negative (CHEM036187)
Spectrum Details
| chemdb ID: | CHEM036187 |
|---|---|
| Compound name: | O-(N-Acetyl-alpha-neuraminosyl)-(2->3)-O-beta-D-Gal-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-Glu-(1->3)-O-beta-D-Gal-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-Glu-(1->3)-O-beta-D-Gal-(1->4)-D-Glu |
| Spectrum type: | Predicted LC-MS/MS Spectrum - 20V, Negative |
| Splash Key: | splash10-054o-6449110010-0ee9074b7b7d3d0043f1 |
| 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: | C51H85N3O39 |
| Molecular Weight (Monoisotopic Mass): | 1363.476 Da |
| Molecular Weight (Avergae Mass): | 1364.2173 Da |
Documentation
| Document Description | Download |
|---|---|
| List of m/z values for the spectrum | Download file |
| Generated list of m/z values for the spectrum | Download file |
| mzML formatted file | Download file |
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.