Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0026449)
Spectrum Details
| MiMe ID: | MMDBc0026449 |
|---|---|
| Compound Name: | Asperiene B |
| Derivative IUPAC Name: | (5R,5aS,9aS,9bS)-6,6,9a-trimethyl-1-oxo-9b-[(trimethylsilyl)oxy]-1H,3H,5H,5aH,6H,7H,8H,9H,9aH,9bH-naphtho[1,2-c]furan-5-yl (6S,7S)-6-hydroxy-7-[(trimethylsilyl)oxy]octa-2,4-dienoate |
| Derivative SMILES: | C[C@H](O[Si](C)(C)C)[C@@H](O)C=CC=CC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O[Si](C)(C)C)[C@@]2(C)CCCC(C)(C)[C@H]12 |
| Derivative InChIKey: | InChIKey=GKWNXPKNBAYQOC-OCNHDSPYSA-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: | C23H32O7 |
| Molecular Weight (Monoisotopic Mass): | 420.2148 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 | 781 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References