Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0023893)
Spectrum Details
| MiMe ID: | MMDBc0023893 |
|---|---|
| Compound Name: | Alternapyrone B |
| Derivative IUPAC Name: | 2-(6-{3,5-dimethyl-2-oxo-4-[(trimethylsilyl)oxy]-2H-pyran-6-yl}-2,4-dimethylhepta-1,3-dien-1-yl)-6,8-dimethyldec-6-enoic acid |
| Derivative SMILES: | CCC(C)C=C(C)CCCC(C=C(C)C=C(C)CC(C)C1=C(C)C(O[Si](C)(C)C)=C(C)C(=O)O1)C(=O)O |
| Derivative InChIKey: | InChIKey=JRJPRROIXHDLNX-UHFFFAOYNA-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: | C28H42O5 |
| Molecular Weight (Monoisotopic Mass): | 458.3032 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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References