Predicted GC-MS Spectrum - GC-MS (TMS_7_8) - 70eV, Positive (MMDBc0004310)
Spectrum Details
| MiMe ID: | MMDBc0004310 |
|---|---|
| Compound Name: | 4-O-(β-D-Glucopyranosyl)-D-ribitol |
| Derivative IUPAC Name: | (5S,6S,7R)-2,2,10,10-tetramethyl-6-[(trimethylsilyl)oxy]-7-{[(2R,3R,4S,5R,6R)-3,4,5-tris[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-yl]oxy}-3,9-dioxa-2,10-disilaundecan-5-ol |
| Derivative SMILES: | C[Si](C)(C)OC[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=QWKWNZGSTYNJBF-XGKRWFMDSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_7_8) - 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: | C11H22O10 |
| Molecular Weight (Monoisotopic Mass): | 314.1213 Da |
| Derivative Type: | TMS_7_8 |
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 | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References