Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive (CDB000745)
Spectrum Details
| CDB ID: | CDB000745 |
|---|---|
| Compound Name: | Isocannflavin B |
| Derivative IUPAC Name: | 5-hydroxy-2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-8-(3-methylbut-2-en-1-yl)-7-[(trimethylsilyl)oxy]-4H-chromen-4-one |
| Derivative SMILES: | COC1=CC(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(CC=C(C)C)=C3O2)=CC=C1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=QAIBMTVVPSRKTA-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (2 TMS) - 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: | C27H36O6Si2 |
| Molecular Weight (Monoisotopic Mass): | 512.205 Da |
| Derivative Type: | 2 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(CC=C(C)C)=C3O2)=CC=C1O[Si](C)(C)C)
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 | 4.68 KB |
References
Not Available