Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive (MMDBc0002634)
Spectrum Details
| MiMe ID: | MMDBc0002634 |
|---|---|
| Compound Name: | Asperpyrone E |
| Derivative IUPAC Name: | 9-{5,7-dimethoxy-3-methyl-1-oxo-10-[(trimethylsilyl)oxy]-1,4-dihydrophenanthren-9-yl}-10-methoxy-2-methyl-4,5-bis[(trimethylsilyl)oxy]-8H-cyclohexa[h]chromen-8-one |
| Derivative SMILES: | COC1=CC(OC)=C2C3=C(C(=O)C=C(C)C3)C(O[Si](C)(C)C)=C(C3=C(OC)C4=C5OC(C)=CC(O[Si](C)(C)C)=C5C(O[Si](C)(C)C)=CC4=CC3=O)C2=C1 |
| Derivative InChIKey: | InChIKey=AGSOSBAKZRVZQB-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_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: | C32H26O9 |
| Molecular Weight (Monoisotopic Mass): | 554.1577 Da |
| Derivative Type: | TMS_3_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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References