Predicted LC-MS/MS Spectrum - 40V, Positive (HMDB0242432)
Spectrum Details
| HMDB ID: | HMDB0242432 |
|---|---|
| Compound name: | (1S,2R,4As,6aS,6bR,8R,9R,10R,11R,12aR,12bR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid |
| Spectrum type: | Predicted LC-MS/MS Spectrum - 40V, Positive |
| Splash Key: | splash10-00dr-2923000000-e4997e600a382dd2bd09 |
| 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: | C30H48O6 |
| Molecular Weight (Monoisotopic Mass): | 504.3451 Da |
Documentation
| Document Description | Download | |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 178 Bytes |
| Peak assignments (TSV) | Download file | 178 Bytes |
| mzML formatted file (MZML) | Download file | 6.78 KB |
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 ]