Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0016036)
Spectrum Details
| MiMe ID: | MMDBc0016036 |
|---|---|
| Compound Name: | Bicoumanigrin |
| Derivative IUPAC Name: | 4,7-dimethoxy-5,5'-dimethyl-4',7'-bis[(trimethylsilyl)oxy]-2H,2'H-[3,3'-bichromene]-2,2'-dione |
| Derivative SMILES: | COC1=CC(C)=C2C(OC)=C(C3=C(O[Si](C)(C)C)C4=C(C)C=C(O[Si](C)(C)C)C=C4OC3=O)C(=O)OC2=C1 |
| Derivative InChIKey: | InChIKey=DOUGHZPCQVRXKJ-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C22H18O8 |
| Molecular Weight (Monoisotopic Mass): | 410.1002 Da |
| Derivative Type: | TMS_2_1 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 769 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References