Predicted LC-MS/MS Spectrum - 20V, Positive (HMDB0301566)
Spectrum Details
HMDB ID: | HMDB0301566 |
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Compound name: | (5Z)-7-[(1R,2E,5S)-5-hydroxy-2-[(2E)-oct-2-en-1-ylidene]-3-oxocyclopentyl]hept-5-enoyl-CoA |
Spectrum type: | Predicted LC-MS/MS Spectrum - 20V, Positive |
Splash Key: | splash10-00li-9200000011-c6afc96f5d47f85891bf |
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: | C41H64N7O19P3S |
Molecular Weight (Monoisotopic Mass): | 1083.3191 Da |
Documentation
Document Description | Download | |
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Generated list of m/z values for the spectrum (TSV) | Download file | 1.24 KB |
Peak assignments (TSV) | Download file | 9.04 KB |
mzML formatted file (MZML) | Download file | 5.64 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 ]