Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive (CDB000343)
Spectrum Details
| CDB ID: | CDB000343 |
|---|---|
| Compound Name: | Vitexin-7-o-(6'-glucoside) |
| Derivative IUPAC Name: | 5-hydroxy-8-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-{[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{4-[(trimethylsilyl)oxy]phenyl}-4H-chromen-4-one |
| Derivative SMILES: | C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)C([C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3O2)C=C1 |
| Derivative InChIKey: | InChIKey=XUMYQSPWMLEIMP-UGILSGBMSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 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: | C30H38O15Si |
| Molecular Weight (Monoisotopic Mass): | 666.198 Da |
| Derivative Type: | 1 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)C([C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3O2)C=C1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 736 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available