Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 70eV, Positive (FDB017807)
Spectrum Details
| FooDB ID: | FDB017807 |
|---|---|
| Compound Name: | Vomifoliol 9-[glucosyl-(1->4)-xylosyl-(1->6)-glucoside] |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C2O)C(O)C(O)C1O |
| Derivative InChIKey: | Not Available |
| 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: | C30H48O17 |
| Molecular Weight (Monoisotopic Mass): | 680.2892 Da |
| Derivative Type: | TMS_2_12 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C2O)C(O)C(O)C1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 758 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available