Predicted GC-MS Spectrum - alpha-Viniferin GC-MS (TMS_2_5) - 70eV, Positive (HMDB0030603)
Spectrum Details
| HMDB ID: | HMDB0030603 |
|---|---|
| Compound Name: | alpha-Viniferin |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)OC1=CC2=C3C(=C1)C1C4=C(C=C(O[Si](C)(C)C)C=C4C4C5=C(C=C(O)C=C5C3C(C3=CC=C(O)C=C3)O2)OC4C2=CC=C(O)C=C2)OC1C1=CC=C(O)C=C1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - alpha-Viniferin GC-MS (TMS_2_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: | C42H30O9 |
| Molecular Weight (Monoisotopic Mass): | 678.189 Da |
| Derivative Type: | TMS_2_5 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC2=C3C(=C1)C1C4=C(C=C(O[Si](C)(C)C)C=C4C4C5=C(C=C(O)C=C5C3C(C3=CC=C(O)C=C3)O2)OC4C2=CC=C(O)C=C2)OC1C1=CC=C(O)C=C1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 758 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available