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Predicted LC-MS/MS Spectrum - 20V, Positive (HMDB0241873)
Spectrum Details
HMDB ID: | HMDB0241873 |
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Compound name: | (5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]cyclopentyl]hept-5-enoylcarnitine |
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 |
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Collision Energy: | 20 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C27H45NO7 |
Molecular Weight (Monoisotopic Mass): | 495.3196 Da |
Documentation
Document Description | Download | |
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Generated list of m/z values for the spectrum (TSV) | Download file | 86 Bytes |
Peak assignments (TSV) | Download file | 248 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)