Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive (FDB017706)
Spectrum Details
| FooDB ID: | FDB017706 |
|---|---|
| Compound Name: | Procyanidin B5 |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)O[C@@H]1[C@@H](C2=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C2O)C2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 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_1_5 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1[C@@H](C2=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C2O)C2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 752 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available