Predicted GC-MS Spectrum - GC-MS (TMS_2_18) - 70eV, Positive (MMDBc0031697)
Spectrum Details
| MiMe ID: | MMDBc0031697 |
|---|---|
| Compound Name: | 6-Phospho-beta-D-glucosyl-(1,4)-D-glucose |
| Derivative IUPAC Name: | {[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3-[(trimethylsilyl)oxy]oxan-2-yl]methoxy}[(trimethylsilyl)oxy]phosphinic acid |
| Derivative SMILES: | C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
| Derivative InChIKey: | InChIKey=NEVSQLPXIFRAQG-MWKRTYNOSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_18) - 70eV, Positive |
| Splash Key: | Not Available |
| 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 |
|---|---|
| Ionization Energy: | 70 eV |
| Chromatography Type: | Gas Chromatography Column (GC) |
| Instrument Type: | Single quadrupole, spectrum predicted by CFM-ID(EI) |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C12H23O14P |
| Molecular Weight (Monoisotopic Mass): | 422.0825 Da |
| Derivative Type: | TMS_2_18 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References