Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0025673)
Spectrum Details
| MiMe ID: | MMDBc0025673 |
|---|---|
| Compound Name: | Aspernidgulene A1 |
| Derivative IUPAC Name: | trimethylsilyl (2R)-2-[(2S,3R,4R)-3,4-dimethyl-5-oxo-3-{6-[(1R,2R,3R,5S)-2,3,5-trimethyl-4-oxo-3-[(trimethylsilyl)oxy]cyclopentyl]hepta-1,3,5-trien-1-yl}oxolan-2-yl]propanoate |
| Derivative SMILES: | CC(=CC=CC=C[C@@]1(C)[C@H]([C@@H](C)C(=O)O[Si](C)(C)C)OC(=O)[C@@H]1C)[C@H]1[C@H](C)C(=O)[C@](C)(O[Si](C)(C)C)[C@@H]1C |
| Derivative InChIKey: | InChIKey=HLJPQPLRBJHARF-KMJSZLHBSA-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: | C24H34O6 |
| Molecular Weight (Monoisotopic Mass): | 418.2355 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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References