Predicted LC-MS/MS Spectrum - 40V, Positive (M2MDB001589)
Spectrum Details
| ECMDB ID: | ECMDB21180 |
|---|---|
| Compound name: | 6-Carboxy-5,6,7,8-tetrahydropterin |
| Spectrum type: | Predicted LC-MS/MS Spectrum - 40V, Positive |
| Splash Key: | splash10-00gi-4900000000-36d0bbd2f637a9803ecc 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 |
|---|---|
| Collision Energy: | 40 eV |
| Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C7H9N5O3 |
| Molecular Weight (Monoisotopic Mass): | 211.0705 Da |
| Molecular Weight (Avergae Mass): | 211.1781 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.