Predicted GC-MS Spectrum - GC-MS (TMS_7_17) - 70eV, Positive (CDB004973)
Spectrum Details
| CDB ID: | CDB004973 |
|---|---|
| Compound Name: | Galactinol |
| Derivative IUPAC Name: | (2R,3R,4S,5R,6R)-2-{[(1S,2R,3R,4S,5S,6R)-4-hydroxy-2,3,5,6-tetrakis[(trimethylsilyl)oxy]cyclohexyl]oxy}-3,5-bis[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-4-ol |
| Derivative SMILES: | C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=OGAGLUASNNMHEY-SAGKRVRNSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_7_17) - 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: | C12H22O11 |
| Molecular Weight (Monoisotopic Mass): | 342.1162 Da |
| Derivative Type: | TMS_7_17 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 749 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available