Predicted GC-MS Spectrum - GC-MS (TMS_3_30) - 70eV, Positive (PHUB002130)
Spectrum Details
| PHUB ID: | PHUB002130 |
|---|---|
| Compound Name: | Daidzein-4',7-diglucuronide |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@H]1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_30) - 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: | C27H26O16 |
| Molecular Weight (Monoisotopic Mass): | 606.1221 Da |
| Derivative Type: | TMS_3_30 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@H]1O)
Documentation
Not Available
References
Not Available