Predicted GC-MS Spectrum - GC-MS (TMS_4_14) - 70eV, Positive (MMDBc0029967)
Spectrum Details
| MiMe ID: | MMDBc0029967 |
|---|---|
| Compound Name: | 2-(alpha-D-Mannosyl)-3-phosphoglycerate |
| Derivative IUPAC Name: | 3-({bis[(trimethylsilyl)oxy]phosphoryl}oxy)-2-{[(2R,3S,4R,5S,6R)-3,4-dihydroxy-5-[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-yl]oxy}propanoic acid |
| Derivative SMILES: | C[Si](C)(C)OC[C@H]1O[C@H](OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=JNZGEMILRUNEOD-OXMKHNSCSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_14) - 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: | C9H17O12P |
| Molecular Weight (Monoisotopic Mass): | 348.0458 Da |
| Derivative Type: | TMS_4_14 |
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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References