Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0026718)
Spectrum Details
| MiMe ID: | MMDBc0026718 |
|---|---|
| Compound Name: | Dahliane G |
| Derivative IUPAC Name: | [(1R,2S,3S,8aR,10aR)-8a,10a-dimethyl-6-oxo-1-(propan-2-yl)-2,3-bis[(trimethylsilyl)oxy]-1H,2H,3H,6H,7H,8H,8aH,9H,10H,10aH-cyclohexa[f]azulen-5-yl]methyl acetate |
| Derivative SMILES: | CC(=O)OCC1=C2C=C3[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](C(C)C)[C@@]3(C)CC[C@]2(C)CCC1=O |
| Derivative InChIKey: | InChIKey=NAMYMQJQESHBPG-XLIKFSOKSA-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: | C22H32O5 |
| Molecular Weight (Monoisotopic Mass): | 376.225 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 | 777 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References