Predicted GC-MS Spectrum - Theasinensin B GC-MS (TBDMS_1_9) - 70eV, Positive (HMDB0038359)
Spectrum Details
| HMDB ID: | HMDB0038359 |
|---|---|
| Compound Name: | Theasinensin B |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Theasinensin B GC-MS (TBDMS_1_9) - 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: | C37H30O18 |
| Molecular Weight (Monoisotopic Mass): | 762.1432 Da |
| Derivative Type: | TBDMS_1_9 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C=C1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 750 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available