Predicted GC-MS Spectrum - 3'-Galloylprodelphinidin B2 GC-MS (TBDMS_1_4) - 70eV, Positive (HMDB0037648)
Spectrum Details
| HMDB ID: | HMDB0037648 |
|---|---|
| Compound Name: | 3'-Galloylprodelphinidin B2 |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(O)=C(O)C(O)=C1)O2 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 3'-Galloylprodelphinidin B2 GC-MS (TBDMS_1_4) - 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_4 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(O)=C(O)C(O)=C1)O2)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 744 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available