Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0018451)
Spectrum Details
| MiMe ID: | MMDBc0018451 |
|---|---|
| Compound Name: | Pestaloficiol E |
| Derivative IUPAC Name: | (3'R,6S,7R,8R)-6-hydroxy-3'-(2-methoxypropan-2-yl)-2,2-dimethyl-7-[(trimethylsilyl)oxy]-2,3,4,5,6,7-hexahydrospiro[1-benzopyran-8,1'-cyclopropan]-4-one |
| Derivative SMILES: | COC(C)(C)[C@@H]1C[C@@]12C1=C(C[C@H](O)[C@@H]2O[Si](C)(C)C)C(=O)CC(C)(C)O1 |
| Derivative InChIKey: | InChIKey=JQNISBKQCSXMLS-GGLFYADGSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 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: | C17H26O5 |
| Molecular Weight (Monoisotopic Mass): | 310.178 Da |
| Derivative Type: | TMS_1_2 |
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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References