Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0031953)
Spectrum Details
| MiMe ID: | MMDBc0031953 |
|---|---|
| Compound Name: | 6-Deoxy-6-sulfo-D-fructose |
| Derivative IUPAC Name: | [(2S,3S,4S)-4,5-dihydroxy-5-(hydroxymethyl)-3-[(trimethylsilyl)oxy]oxolan-2-yl]methanesulfonic acid |
| Derivative SMILES: | C[Si](C)(C)O[C@@H]1[C@@H](CS(=O)(=O)O)OC(O)(CO)[C@H]1O |
| Derivative InChIKey: | InChIKey=WCUFPFCMZQWIER-JSXQXQAOSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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: | C6H12O8S |
| Molecular Weight (Monoisotopic Mass): | 244.0253 Da |
| Derivative Type: | TMS_1_3 |
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 | 778 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References