Predicted LC-MS/MS Spectrum - 40V, Positive (LMDB00847)
Spectrum Details
LMDB ID: | LMDB00847 |
---|---|
Compound name: | 4-Hydroxyphenyl-beta-glucopyranoside |
Spectrum type: | Predicted LC-MS/MS Spectrum - 40V, Positive |
Splash Key: | splash10-03e9-9600000000-9a8f2b8fb568a07413b4 |
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: | C12H16O7 |
Molecular Weight (Monoisotopic Mass): | 272.0896 Da |
Molecular Weight (Avergae Mass): | 272.2512 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.