Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0025672)
Spectrum Details
| MiMe ID: | MMDBc0025672 |
|---|---|
| Compound Name: | Preaspernidgulene A2 |
| Derivative IUPAC Name: | 3,5,7-trimethyl-13-[(2S)-3,3,5-trimethyl-6-oxo-4-[(trimethylsilyl)oxy]-3,6-dihydro-2H-pyran-2-yl]tetradeca-2,4,6,8,10,12-hexaenoic acid |
| Derivative SMILES: | CC(=CC(=O)O)C=C(C)C=C(C)C=CC=CC=C(C)[C@@H]1OC(=O)C(C)=C(O[Si](C)(C)C)C1(C)C |
| Derivative InChIKey: | InChIKey=NQSDHNMHLANLKR-VWLOTQADSA-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: | C25H32O5 |
| Molecular Weight (Monoisotopic Mass): | 412.225 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 | 770 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References