Predicted LC-MS/MS Spectrum - 40V, Positive (M2MDB000927)
Spectrum Details
ECMDB ID: | ECMDB20078 |
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Compound name: | 3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene |
Spectrum type: | Predicted LC-MS/MS Spectrum - 40V, Positive |
Splash Key: | splash10-00di-9241000000-6ee8399683c139ed4a2c 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: | Positive |
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Collision Energy: | 40 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C16H22BrN3O7S |
Molecular Weight (Monoisotopic Mass): | 479.0362 Da |
Molecular Weight (Avergae Mass): | 480.331 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.