Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0009940)
Spectrum Details
| MiMe ID: | MMDBc0009940 |
|---|---|
| Compound Name: | Aculeatusquinone D |
| Derivative IUPAC Name: | (2S,6'S)-6-hydroxy-6'-methoxy-3',4,6',7-tetramethyl-4'-[(trimethylsilyl)oxy]-3H-spiro[1-benzofuran-2,1'-cyclohexan]-3'-ene-2',3,5'-trione |
| Derivative SMILES: | CO[C@]1(C)C(=O)C(O[Si](C)(C)C)=C(C)C(=O)[C@@]12OC1=C(C)C(O)=CC(C)=C1C2=O |
| Derivative InChIKey: | InChIKey=VGPDVWINHJFSEV-RTWAWAEBSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C18H18O7 |
| Molecular Weight (Monoisotopic Mass): | 346.1053 Da |
| Derivative Type: | TMS_1_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 | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References