Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0001107)
Spectrum Details
| MiMe ID: | MMDBc0001107 |
|---|---|
| Compound Name: | Asperpyrone B |
| Derivative IUPAC Name: | 6-{8,10-dimethoxy-2-methyl-4-oxo-5-[(trimethylsilyl)oxy]-4H-benzo[h]chromen-9-yl}-5-hydroxy-8,10-dimethoxy-2-methyl-4H-benzo[h]chromen-4-one |
| Derivative SMILES: | COC1=CC(OC)=C2C(=C1)C(C1=C(OC)C=C3C=C(O[Si](C)(C)C)C4=C(OC(C)=CC4=O)C3=C1OC)=C(O)C1=C2OC(C)=CC1=O |
| Derivative InChIKey: | InChIKey=HUWDORZTYIXFKR-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 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: | C32H26O10 |
| Molecular Weight (Monoisotopic Mass): | 570.1526 Da |
| Derivative Type: | TMS_1_2 |
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 | 764 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References