Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0028218)
Spectrum Details
| MiMe ID: | MMDBc0028218 |
|---|---|
| Compound Name: | Fusarielin G |
| Derivative IUPAC Name: | trimethylsilyl (2R,3S,4E)-7-[(1aR,2R,3S,3aS,7aR,7bS)-2-(but-2-en-2-yl)-1a,6-dimethyl-1aH,2H,3H,3aH,4H,7H,7aH,7bH-naphtho[1,2-b]oxiren-3-yl]-3-hydroxy-2,4-dimethylhepta-4,6-dienoate |
| Derivative SMILES: | CC=C(C)[C@H]1[C@@H](C=C/C=C(\C)[C@@H](O)[C@@H](C)C(=O)O[Si](C)(C)C)[C@@H]2CC=C(C)C[C@H]2[C@@H]2O[C@@]21C |
| Derivative InChIKey: | InChIKey=WVDCICTUDUNKDT-KYLMPFBZSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C25H36O4 |
| Molecular Weight (Monoisotopic Mass): | 400.2614 Da |
| Derivative Type: | TMS_1_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 | 777 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References