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Predicted LC-MS/MS Spectrum - 20V, Negative (M2MDB001590)
Spectrum Details
| ECMDB ID: | ECMDB21181 | 
|---|---|
| Compound name: | 6-Hydroxymethyl dihydropterin | 
| Spectrum type: | Predicted LC-MS/MS Spectrum - 20V, Negative | 
| Splash Key: | splash10-01r6-1900000000-56b39cb20c728828c72a 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 | 
|---|---|
| Collision Energy: | 20 eV | 
| Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID | 
| Mass Resolution: | 0.0001 Da | 
| Molecular Formula: | C7H9N5O2 | 
| Molecular Weight (Monoisotopic Mass): | 195.0756 Da | 
| Molecular Weight (Avergae Mass): | 195.1787 Da | 
Documentation
| Document Description | Download | 
|---|---|
| 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.