Predicted LC-MS/MS Spectrum - 10V, Negative (CHEM191296)
Spectrum Details
| chemdb ID: | CHEM191296 |
|---|---|
| Compound name: | (3r,4r,6s,8s)-12-methoxy-5,7,9,20-tetraoxahexacyclo[11.7.0.02,10.03,8.04,6.014,18]icosa-1,10,12,14(18)-tetraene-17,19-dione |
| Spectrum type: | Predicted LC-MS/MS Spectrum - 10V, Negative |
| Splash Key: | splash10-004i-0029000000-0cb8f21eba1630039dc1 |
| 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: | C17H12O7 |
| Molecular Weight (Monoisotopic Mass): | 328.0583 Da |
| Molecular Weight (Avergae Mass): | 328.27 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.