Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0013014)
Spectrum Details
| MiMe ID: | MMDBc0013014 |
|---|---|
| Compound Name: | Pinolidoxin |
| Derivative IUPAC Name: | (6E)-2-oxo-10-propyl-8,9-bis[(trimethylsilyl)oxy]-3,4,5,8,9,10-hexahydro-2H-oxecin-3-yl (2E,4E)-hexa-2,4-dienoate |
| Derivative SMILES: | C/C=C/C=C/C(=O)OC1CC/C=C/C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CCC)OC1=O |
| Derivative InChIKey: | InChIKey=NAQOFVRYUQHGHR-HKFVROJQNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C18H26O6 |
| Molecular Weight (Monoisotopic Mass): | 338.1729 Da |
| Derivative Type: | TMS_2_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