Predicted LC-MS/MS Spectrum - 40V, Positive (CHEM033603)
Spectrum Details
| chemdb ID: | CHEM033603 |
|---|---|
| Compound name: | 22R-Acetoxy-1alpha,3beta-dihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->4)-6-acetyl-b-D-glucosyl-(1->2)-6-acetyl-b-D-glucosyl] ester |
| Spectrum type: | Predicted LC-MS/MS Spectrum - 40V, Positive |
| Splash Key: | splash10-0aor-9281554453-4a32fef3ab6ffbdf785d |
| 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: | 40 eV |
| Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C58H90O28 |
| Molecular Weight (Monoisotopic Mass): | 1234.5619 Da |
| Molecular Weight (Avergae Mass): | 1235.3184 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.