Predicted GC-MS Spectrum - Quercetin 3-(3'',6''-di-p-coumarylglucoside) GC-MS (TMS_1_8) - 70eV, Positive (HMDB0037373)
Spectrum Details
| HMDB ID: | HMDB0037373 |
|---|---|
| Compound Name: | Quercetin 3-(3'',6''-di-p-coumarylglucoside) |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C=C3)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C=C1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Quercetin 3-(3'',6''-di-p-coumarylglucoside) 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: | C39H32O16 |
| Molecular Weight (Monoisotopic Mass): | 756.169 Da |
| Derivative Type: | TMS_1_8 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C=C3)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C=C1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 757 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available