Predicted GC-MS Spectrum - GC-MS (TMS_7_13) - 70eV, Positive (MMDBc0055191)
Spectrum Details
| MiMe ID: | MMDBc0055191 |
|---|---|
| Compound Name: | 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside |
| Derivative IUPAC Name: | trimethylsilyl N-[(2R,3R,4R,5R,6R)-2-{[(1S,2R,3R,4S,5S,6R)-3,5-dihydroxy-2,4,6-tris[(trimethylsilyl)oxy]cyclohexyl]oxy}-4,5-bis[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-3-yl]ethanimidate |
| Derivative SMILES: | CC(=N[C@H]1[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=IADLHEKXWADEQG-IMNVDBBNSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_7_13) - 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: | C14H25NO11 |
| Molecular Weight (Monoisotopic Mass): | 383.1428 Da |
| Derivative Type: | TMS_7_13 |
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