Predicted GC-MS Spectrum - GC-MS (TMS_3_43) - 70eV, Positive (PHUB000278)
Spectrum Details
PHUB ID: | PHUB000278 |
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Compound Name: | Procyanidin dimer B3 |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@@H](C1=C(O)C=C(O)C3=C1O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)C3)[C@H](O)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2 |
Derivative InChIKey: | Not Available |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_43) - 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 |
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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_43 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@@H](C1=C(O)C=C(O)C3=C1O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)C3)[C@H](O)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2)
Documentation
Not Available
References
Not Available