Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0001610)
Spectrum Details
| MiMe ID: | MMDBc0001610 |
|---|---|
| Compound Name: | 7-desmethyldeoxyneofusapyrone |
| Derivative IUPAC Name: | 3-[(2S,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-6-[(4E,6E,9Z)-6,8,10,12-tetramethyl-3-[(trimethylsilyl)oxy]octadeca-4,6,9-trien-2-yl]-2H-pyran-2-one |
| Derivative SMILES: | CCCCCCC(C)C/C(C)=C\C(C)/C=C(C)/C=C/C(O[Si](C)(C)C)C(C)C1=CC(O)=C([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)C(=O)O1 |
| Derivative InChIKey: | InChIKey=JFWLVXWIWANWQK-ZVQLQGMXSA-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: | C33H52O8 |
| Molecular Weight (Monoisotopic Mass): | 576.3662 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 | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References