Predicted GC-MS Spectrum - GC-MS (TBDMS_3_1) - 70eV, Positive (PHUB000305)
Spectrum Details
| PHUB ID: | PHUB000305 |
|---|---|
| Compound Name: | Gallic acid 4-O-glucoside |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=C(O[Si](C)(C)C(C)(C)C)C=C(C(=O)O)C=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_3_1) - 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: | C13H16O10 |
| Molecular Weight (Monoisotopic Mass): | 332.0743 Da |
| Derivative Type: | TBDMS_3_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=C(O[Si](C)(C)C(C)(C)C)C=C(C(=O)O)C=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O)
Documentation
Not Available
References
Not Available