Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 70eV, Positive (MMDBc0029993)
Spectrum Details
| MiMe ID: | MMDBc0029993 |
|---|---|
| Compound Name: | 2(alpha-D-Mannosyl)-D-glycerate |
| Derivative IUPAC Name: | (2R)-3-hydroxy-2-{[(2R,3S,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis[(trimethylsilyl)oxy]oxan-2-yl]oxy}propanoic acid |
| Derivative SMILES: | C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O[C@H](CO)C(=O)O)O[C@H](CO)[C@H]1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=WCPFIWYHAIDHNJ-VZGVWICMSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 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: | C9H16O9 |
| Molecular Weight (Monoisotopic Mass): | 268.0794 Da |
| Derivative Type: | TMS_2_12 |
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 | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References