Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0010777)
Spectrum Details
| MiMe ID: | MMDBc0010777 |
|---|---|
| Compound Name: | Yanuthone A |
| Derivative IUPAC Name: | [(1R,2R)-5-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-[(trimethylsilyl)oxy]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate |
| Derivative SMILES: | CC(=O)OCC1=CC(=O)C2(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@@H]2[C@@H]1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=YKZZYQBVWFIXMN-YFMAKSCZSA-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: | C24H34O5 |
| Molecular Weight (Monoisotopic Mass): | 402.2406 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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References