Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0019236)
Spectrum Details
| MiMe ID: | MMDBc0019236 |
|---|---|
| Compound Name: | Aculeatusquinone A |
| Derivative IUPAC Name: | 2-{2,5-dimethyl-3-[(trimethylsilyl)oxy]phenoxy}-3,6-dimethyl-5-[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1,4-dione |
| Derivative SMILES: | CC1=C(OC2=CC(C)=CC(O[Si](C)(C)C)=C2C)C(=O)C(C)=C(O[Si](C)(C)C)C1=O |
| Derivative InChIKey: | InChIKey=IALJIPKEEBCCNZ-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C16H16O5 |
| Molecular Weight (Monoisotopic Mass): | 288.0998 Da |
| Derivative Type: | TMS_2_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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References