Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0019148)
Spectrum Details
| MiMe ID: | MMDBc0019148 |
|---|---|
| Compound Name: | Gillusdin |
| Derivative IUPAC Name: | methyl 5,7-dichloro-3'-hydroxy-2'-methoxy-4-methyl-3,4'-dioxo-6-[(trimethylsilyl)oxy]-3H-spiro[1-benzofuran-2,1'-cyclohexane]-2',5'-diene-6'-carboxylate |
| Derivative SMILES: | COC(=O)C1=CC(=O)C(O)=C(OC)C12OC1=C(Cl)C(O[Si](C)(C)C)=C(Cl)C(C)=C1C2=O |
| Derivative InChIKey: | InChIKey=AMSBOXFSOMWUDQ-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: | C17H12Cl2O8 |
| Molecular Weight (Monoisotopic Mass): | 413.9909 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 | 785 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References