Predicted LC-MS/MS Spectrum
Spectrum Details
| Compound Name: | 2,2-Bis{[(3-sulfanylpropanoyl)oxy]methyl}butyl 3-sulfanylpropanoate |
|---|---|
| Spectrum Type: | Predicted LC-MS/MS Spectrum |
| Splash Key: | splash10-001r-9111000000-88b998269ad9915a4831 |
Spectrum View
Experimental Conditions
| Ionization Mode: | Negative |
|---|---|
| Collision Energy: | high |
| Collision Energy (V): | 40 |
Notes
Predicted by CFM-ID
Documentation
| Document Description | Download |
|---|---|
| List of m/z values for the spectrum (TXT) | Download file |
| Generated list of m/z values for the spectrum (TXT) | 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.
Structure
