Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0016153)
Spectrum Details
| MiMe ID: | MMDBc0016153 |
|---|---|
| Compound Name: | 22-Deacetylyanuthone A |
| Derivative IUPAC Name: | (1R,5R,6R)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-5-[(trimethylsilyl)oxy]-4-{[(trimethylsilyl)oxy]methyl}-7-oxabicyclo[4.1.0]hept-3-en-2-one |
| Derivative SMILES: | CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]12O[C@@H]1[C@H](O[Si](C)(C)C)C(CO[Si](C)(C)C)=CC2=O |
| Derivative InChIKey: | InChIKey=ZCXPJTZOWYPFRY-VHEUWYDFSA-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: | C22H32O4 |
| Molecular Weight (Monoisotopic Mass): | 360.2301 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 | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References