Predicted GC-MS Spectrum - 7-Hydroxy-2',5,6-trimethoxy-4',5'-methylenedioxyisoflavone 7-(2-p-coumaroylglucoside) GC-MS (TBDMS_1_1) - 70eV, Positive (HMDB0041151)
Spectrum Details
| HMDB ID: | HMDB0041151 |
|---|---|
| Compound Name: | 7-Hydroxy-2',5,6-trimethoxy-4',5'-methylenedioxyisoflavone 7-(2-p-coumaroylglucoside) |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC2=C(C=C1C1=COC3=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC(=O)/C=C\C4=CC=C(O)C=C4)=C(OC)C(OC)=C3C1=O)OCO2 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 7-Hydroxy-2',5,6-trimethoxy-4',5'-methylenedioxyisoflavone 7-(2-p-coumaroylglucoside) GC-MS (TBDMS_1_1) - 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: | C34H32O15 |
| Molecular Weight (Monoisotopic Mass): | 680.1741 Da |
| Derivative Type: | TBDMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC2=C(C=C1C1=COC3=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC(=O)/C=C\C4=CC=C(O)C=C4)=C(OC)C(OC)=C3C1=O)OCO2)
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