Predicted GC-MS Spectrum - GC-MS (TMS_3_22) - 70eV, Positive (MMDBc0055532)
Spectrum Details
| MiMe ID: | MMDBc0055532 |
|---|---|
| Compound Name: | 4-O-beta-D-mannopyranosyl-D-glucopyranose |
| Derivative IUPAC Name: | (2S,3S,4S,5S,6R)-2-{[(2R,3R,4S,5R)-6-hydroxy-4,5-bis[(trimethylsilyl)oxy]-2-{[(trimethylsilyl)oxy]methyl}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
| Derivative SMILES: | C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |
| Derivative InChIKey: | InChIKey=MHACBFIJCFVBNW-CTQICTEBSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_22) - 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: | C12H22O11 |
| Molecular Weight (Monoisotopic Mass): | 342.1162 Da |
| Derivative Type: | TMS_3_22 |
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