Predicted GC-MS Spectrum - Isotheaflavin 3'-gallate GC-MS (TMS_1_8) - 70eV, Positive (HMDB0032904)
Spectrum Details
| HMDB ID: | HMDB0032904 |
|---|---|
| Compound Name: | Isotheaflavin 3'-gallate |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(O)=C(O)C3=C2C=C(C2OC4=CC(O)=CC(O)=C4CC2O)C=C(O)C3=O)=CC(O)=C1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Isotheaflavin 3'-gallate GC-MS (TMS_1_8) - 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: | C36H28O16 |
| Molecular Weight (Monoisotopic Mass): | 716.1377 Da |
| Derivative Type: | TMS_1_8 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(O)=C(O)C3=C2C=C(C2OC4=CC(O)=CC(O)=C4CC2O)C=C(O)C3=O)=CC(O)=C1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 754 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available