Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0000085)
Spectrum Details
| MiMe ID: | MMDBc0000085 |
|---|---|
| Compound Name: | Sorbitol |
| Derivative IUPAC Name: | (2R,3R,4R,5S)-4-[(trimethylsilyl)oxy]hexane-1,2,3,5,6-pentol |
| Derivative SMILES: | C[Si](C)(C)O[C@H]([C@@H](O)CO)[C@H](O)[C@H](O)CO |
| Derivative InChIKey: | InChIKey=XCBNJMHRQQBUPI-BZNPZCIMSA-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: | C6H14O6 |
| Molecular Weight (Monoisotopic Mass): | 182.079 Da |
| Derivative Type: | TMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@H]([C@@H](O)CO)[C@H](O)[C@H](O)CO)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 747 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available