Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0019538)
Spectrum Details
| MiMe ID: | MMDBc0019538 |
|---|---|
| Compound Name: | Eremoxylarin A |
| Derivative IUPAC Name: | trimethylsilyl (1S,4R,7R,8aR)-8a-methyl-6-oxo-7-(3-oxoprop-1-en-2-yl)-4-{[(2E,4E)-4,6,8-trimethyldeca-2,4-dienoyl]oxy}-1,2,3,4,6,7,8,8a-octahydronaphthalene-1-carboxylate |
| Derivative SMILES: | C=C(C=O)[C@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C=C/C(C)=C/C(C)CC(C)CC)CC[C@@H]2C(=O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=FRDRRDGNMLHZOR-ANPAXYTLSA-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: | C28H38O6 |
| Molecular Weight (Monoisotopic Mass): | 470.2668 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