Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0028217)
Spectrum Details
| MiMe ID: | MMDBc0028217 |
|---|---|
| Compound Name: | Fusarielin F |
| Derivative IUPAC Name: | (2R,3S,4E)-7-[(1S,2R,3R,4aR,8aS)-2-(but-2-en-2-yl)-3,6-dimethyl-4-oxo-3-[(trimethylsilyl)oxy]-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]-2,4-dimethyl-3-[(trimethylsilyl)oxy]hepta-4,6-dienoic acid |
| Derivative SMILES: | CC=C(C)[C@H]1[C@@H](C=C/C=C(\C)[C@@H](O[Si](C)(C)C)[C@@H](C)C(=O)O)[C@@H]2CC=C(C)C[C@H]2C(=O)[C@]1(C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=QWVFXDNYTYDLAW-NOTPUHOQSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 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: | C25H36O5 |
| Molecular Weight (Monoisotopic Mass): | 416.2563 Da |
| Derivative Type: | TMS_2_2 |
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