Predicted GC-MS Spectrum - 4'-Hydroxyacetophenone 4'-[4-hydroxy-3,5-dimethoxybenzoyl-(->5)-apiosyl-(1->2)-glucoside] GC-MS (TMS_2_5) - 70eV, Positive (HMDB0036333)
Spectrum Details
| HMDB ID: | HMDB0036333 |
|---|---|
| Compound Name: | 4'-Hydroxyacetophenone 4'-[4-hydroxy-3,5-dimethoxybenzoyl-(->5)-apiosyl-(1->2)-glucoside] |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC(C(=O)OCC2(O)COC(OC3C(OC4=CC=C(C(C)=O)C=C4)OC(CO)C(O)C3O)C2O[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 4'-Hydroxyacetophenone 4'-[4-hydroxy-3,5-dimethoxybenzoyl-(->5)-apiosyl-(1->2)-glucoside] GC-MS (TMS_2_5) - 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: | C28H34O15 |
| Molecular Weight (Monoisotopic Mass): | 610.1898 Da |
| Derivative Type: | TMS_2_5 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(C(=O)OCC2(O)COC(OC3C(OC4=CC=C(C(C)=O)C=C4)OC(CO)C(O)C3O)C2O[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 752 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available