Predicted GC-MS Spectrum - GC-MS (TMS_3_9) - 70eV, Positive (MMDBc0054363)
Spectrum Details
| MiMe ID: | MMDBc0054363 |
|---|---|
| Compound Name: | beta-D-fructofuranosyl alpha-D-mannopyranoside 6(F)-phosphate |
| Derivative IUPAC Name: | {[(2R,3S,4S,5S)-5-{[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-yl]oxy}-4-hydroxy-5-(hydroxymethyl)-3-[(trimethylsilyl)oxy]oxolan-2-yl]methoxy}phosphonic acid |
| Derivative SMILES: | C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O |
| Derivative InChIKey: | InChIKey=RCZZLNDHNQEJIP-NBGXWJMXSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_9) - 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_3_9 |
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 | 4.63 KB |
References