Predicted GC-MS Spectrum - GC-MS (TMS_6_1) - 70eV, Positive (MMDBc0032886)
Spectrum Details
| MiMe ID: | MMDBc0032886 |
|---|---|
| Compound Name: | 6-deoxy-6-sulfo-D-gluconic acid |
| Derivative IUPAC Name: | trimethylsilyl (2R,3S,4S,5S)-2,3,4,5-tetrakis[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]sulfonyl}hexanoate |
| Derivative SMILES: | C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CS(=O)(=O)O[Si](C)(C)C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=IJFQHTIBCMHHMX-BXXSPATCSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_6_1) - 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: | C6H12O9S |
| Molecular Weight (Monoisotopic Mass): | 260.0202 Da |
| Derivative Type: | TMS_6_1 |
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 | 767 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References