Predicted LC-MS/MS Spectrum - 20V, Positive (HMDB0241813)
Spectrum Details
| HMDB ID: | HMDB0241813 |
|---|---|
| Compound name: | (4Z,7Z,10S,11E)-10-Hydroxy-12-[(1S,2R,5S)-5-hydroxy-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]dodeca-4,7,11-trienoylcarnitine |
| Spectrum type: | Predicted LC-MS/MS Spectrum - 20V, Positive |
| Splash Key: | Not Available |
| 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: | 20 eV |
| Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C29H45NO7 |
| Molecular Weight (Monoisotopic Mass): | 519.3196 Da |
Documentation
| Document Description | Download | |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 86 Bytes |
| Peak assignments (TSV) | Download file | 254 Bytes |
| mzML formatted file (MZML) | Download file | 4.02 KB |
References
- Fei Wang, Jaanus Liigand, Siyang Tian, David Arndt, Russell Greiner, David S. Wishart. CFM-ID 4.0: More Accurate ESI MS/MS Spectral Prediction and Compound Identification (Submitted)