Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0011026)
Spectrum Details
| MiMe ID: | MMDBc0011026 |
|---|---|
| Compound Name: | Dysidphenol B |
| Derivative IUPAC Name: | methyl (2R,2'R,4'aS,8'aS)-2',5',5',8'a-tetramethyl-7-[(trimethylsilyl)oxy]-3',4',4'a,5',6',7',8',8'a-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalene]-5-carboxylate |
| Derivative SMILES: | COC(=O)C1=CC2=C(O[C@]3(C2)[C@H](C)CC[C@H]2C(C)(C)CCC[C@@]23C)C(O[Si](C)(C)C)=C1 |
| Derivative InChIKey: | InChIKey=BJCDUXWXYOJCTP-GZIHESCCSA-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: | C23H32O4 |
| Molecular Weight (Monoisotopic Mass): | 372.2301 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 | 768 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References