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)