Predicted LC-MS/MS Spectrum - 20V, Negative (M2MDB000949)
Spectrum Details
ECMDB ID: | ECMDB20101 |
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Compound name: | 5-Carboxy-2-pentenoyl-CoA |
Spectrum type: | Predicted LC-MS/MS Spectrum - 20V, Negative |
Splash Key: | splash10-003r-3901110010-bba39b4e17e5ee06711c View in MoNA |
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: | Negative |
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Collision Energy: | 20 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C27H42N7O19P3S |
Molecular Weight (Monoisotopic Mass): | 893.1469 Da |
Molecular Weight (Avergae Mass): | 893.644 Da |
Documentation
Document Description | Download |
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List of m/z values for the spectrum | Download file |
Generated list of m/z values for the spectrum | Download file |
mzML formatted file | Download file |
References
- Allen F, Greiner R, Wishart D: Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification. Metabolomics. 2015 11(1):98–110. doi: 10.1007/s11306-014-0676-4.