Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0004301)
Spectrum Details
| MiMe ID: | MMDBc0004301 |
|---|---|
| Compound Name: | Isoaurasperone F |
| Derivative IUPAC Name: | 2,5-dihydroxy-7-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-4H-benzo[g]chromen-10-yl}-6-methoxy-2-methyl-8-[(trimethylsilyl)oxy]-2H,3H,4H-naphtho[2,3-b]pyran-4-one |
| Derivative SMILES: | COC1=CC(OC)=C2C(O)=C3C(=O)C=C(C)OC3=C(C3=C(O[Si](C)(C)C)C=C4C=C5OC(C)(O)CC(=O)C5=C(O)C4=C3OC)C2=C1 |
| Derivative InChIKey: | InChIKey=GTIMQMWFTQDPKR-UHFFFAOYNA-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: | C31H26O11 |
| Molecular Weight (Monoisotopic Mass): | 574.1475 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 | 769 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References