Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive (MMDBc0016915)
Spectrum Details
| MiMe ID: | MMDBc0016915 |
|---|---|
| Compound Name: | CJ-15,183 |
| Derivative IUPAC Name: | 2-{2-oxo-1-[(4-oxo-2-{2-oxo-5-[(1E,5Z,8Z)-tetradeca-1,5,8-trien-1-yl]oxolan-3-yl}-2,4-bis[(trimethylsilyl)oxy]butanoyl)oxy]-2-[(trimethylsilyl)oxy]ethyl}butanedioic acid |
| Derivative SMILES: | CCCCC/C=C\C/C=C\CC/C=C/C1CC(C(CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)OC(C(=O)O[Si](C)(C)C)C(CC(=O)O)C(=O)O)C(=O)O1 |
| Derivative InChIKey: | InChIKey=PGEWUERGLHVYTA-ODYZAKITNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_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: | C28H38O13 |
| Molecular Weight (Monoisotopic Mass): | 582.2312 Da |
| Derivative Type: | TMS_3_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 | 781 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References