Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0013305)
Spectrum Details
| MiMe ID: | MMDBc0013305 |
|---|---|
| Compound Name: | Ochrephilone |
| Derivative IUPAC Name: | (6aR)-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dien-1-yl]-6a-methyl-9-{1-[(trimethylsilyl)oxy]ethylidene}-6H,6aH,8H,9H,9aH-furo[2,3-h]isochromene-6,8-dione |
| Derivative SMILES: | CC[C@H](C)/C=C(C)/C=C/C1=CC2=CC(=O)[C@]3(C)OC(=O)C(=C(C)O[Si](C)(C)C)C3C2=CO1 |
| Derivative InChIKey: | InChIKey=WLZOMPZJBPQCSA-UMJMPZFHSA-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: | C23H26O5 |
| Molecular Weight (Monoisotopic Mass): | 382.178 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 | 777 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References