Predicted GC-MS Spectrum - Apigenin 7-[glucuronyl-(1->2)-glucuronide] 4'-glucuronide GC-MS (TMS_1_11) - 70eV, Positive (HMDB0038294)
Spectrum Details
| HMDB ID: | HMDB0038294 |
|---|---|
| Compound Name: | Apigenin 7-[glucuronyl-(1->2)-glucuronide] 4'-glucuronide |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)OC1C(C(=O)O)OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(OC6OC(C(=O)O)C(O)C(O)C6O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Apigenin 7-[glucuronyl-(1->2)-glucuronide] 4'-glucuronide GC-MS (TMS_1_11) - 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: | C33H34O23 |
| Molecular Weight (Monoisotopic Mass): | 798.1491 Da |
| Derivative Type: | TMS_1_11 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1C(C(=O)O)OC(OC2C(OC3=CC(O)=C4C(=O)C=C(C5=CC=C(OC6OC(C(=O)O)C(O)C(O)C6O)C=C5)OC4=C3)OC(C(=O)O)C(O)C2O)C(O)C1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 761 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available