Predicted LC-MS/MS Spectrum - 20V, Negative (CHEM026434)
Spectrum Details
| chemdb ID: | CHEM026434 |
|---|---|
| Compound name: | 1,7-bis-(4-Hydroxy-3-methoxyphenyl)-heptane-3,5-diol |
| Spectrum type: | Predicted LC-MS/MS Spectrum - 20V, Negative |
| Splash Key: | splash10-00dr-0495000000-ab88eba98abae37c64cf |
| 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: | C21H28O6 |
| Molecular Weight (Monoisotopic Mass): | 376.1886 Da |
| Molecular Weight (Avergae Mass): | 376.4434 Da |
Documentation
| Document Description | Download |
|---|---|
| Generated list of m/z values for the spectrum | Download file |
| Peak assignments | Download file |
| mzML formatted file | Download file |
References
- Wang F, Liigand J, Tian S, Arndt D, Greiner R, and Wishart D. CFM-ID 4.0: More Accurate ESI MS/MS Spectral Prediction and Compound Identification. Analytical Chemistry202193 (34), 11692-11700 DOI: 10.1021/acs.analchem.1c01465 [PubMed: 34403256 ]