Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0009823)
Spectrum Details
| MiMe ID: | MMDBc0009823 |
|---|---|
| Compound Name: | Monacolin K |
| Derivative IUPAC Name: | (1S,3R,7S,8S,8aR)-3,7-dimethyl-8-{2-[(2R,4R)-6-oxo-4-[(trimethylsilyl)oxy]oxan-2-yl]ethyl}-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2R)-2-methylbutanoate |
| Derivative SMILES: | CC[C@@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C)CC(=O)O3)[C@H]21 |
| Derivative InChIKey: | InChIKey=CZWIDMHJBWCSKO-CRRQAIHNSA-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: | C24H36O5 |
| Molecular Weight (Monoisotopic Mass): | 404.2563 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 | 779 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References