Predicted GC-MS Spectrum - GC-MS (TMS_3_29) - 70eV, Positive (MMDBc0000287)
Spectrum Details
| MiMe ID: | MMDBc0000287 |
|---|---|
| Compound Name: | 6-O-alpha-D-Glucopyranosyl-D-fructofuranose |
| Derivative IUPAC Name: | (3S,4S,5R)-5-({[(2S,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[(trimethylsilyl)oxy]oxan-2-yl]oxy}methyl)-2-(hydroxymethyl)-2-[(trimethylsilyl)oxy]oxolane-3,4-diol |
| Derivative SMILES: | C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OC[C@H]2OC(CO)(O[Si](C)(C)C)[C@@H](O)[C@@H]2O)O[C@@H]1CO |
| Derivative InChIKey: | InChIKey=JZBTZGAPIMTAMT-BZWCAMRQSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_29) - 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_29 |
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 | 768 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References