Predicted GC-MS Spectrum - GC-MS (TMS_3_21) - 70eV, Positive (PHUB000281)
Spectrum Details
| PHUB ID: | PHUB000281 |
|---|---|
| Compound Name: | Procyanidin dimer B7 |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)C4O[Si](C)(C)C)=C3O)[C@@H]2O)C=C1O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_21) - 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: | C30H26O12 |
| Molecular Weight (Monoisotopic Mass): | 578.1424 Da |
| Derivative Type: | TMS_3_21 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)C4O[Si](C)(C)C)=C3O)[C@@H]2O)C=C1O[Si](C)(C)C)
Documentation
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References
Not Available