Predicted GC-MS Spectrum - GC-MS (TMS_3_59) - 70eV, Positive (MMDBc0030128)
Spectrum Details
| MiMe ID: | MMDBc0030128 |
|---|---|
| Compound Name: | Cellobiose-6-phosphate |
| Derivative IUPAC Name: | {[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4R,5R)-5,6-dihydroxy-2-(hydroxymethyl)-4-[(trimethylsilyl)oxy]oxan-3-yl]oxy}-3,4-dihydroxy-5-[(trimethylsilyl)oxy]oxan-2-yl]methoxy}[(trimethylsilyl)oxy]phosphinic acid |
| Derivative SMILES: | C[Si](C)(C)O[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O |
| Derivative InChIKey: | InChIKey=YNRFRGSZUZHZNA-IZDBUYJSSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_59) - 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_59 |
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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References