Predicted GC-MS Spectrum - GC-MS (TMS_3_4) - 70eV, Positive (MMDBc0000723)
Spectrum Details
| MiMe ID: | MMDBc0000723 |
|---|---|
| Compound Name: | Fucitol |
| Derivative IUPAC Name: | (2R,3R,4S,5S)-2,3,5-tris[(trimethylsilyl)oxy]hexane-1,4-diol |
| Derivative SMILES: | C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=YHAVBUCEOYBAJD-XGUBFFRZSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_4) - 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: | C6H14O5 |
| Molecular Weight (Monoisotopic Mass): | 166.0841 Da |
| Derivative Type: | TMS_3_4 |
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 | 764 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References