Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive (MMDBc0014637)
Spectrum Details
| MiMe ID: | MMDBc0014637 |
|---|---|
| Compound Name: | Pestaloficiol H |
| Derivative IUPAC Name: | {[(6S,7R,8Z)-2,2-dimethyl-8-(3-methylbut-2-en-1-ylidene)-4,7-bis[(trimethylsilyl)oxy]-5,6,7,8-tetrahydro-2H-chromen-6-yl]oxy}trimethylsilane |
| Derivative SMILES: | CC(C)=C/C=C1\C2=C(C[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(C)(C)O2 |
| Derivative InChIKey: | InChIKey=QLZQFGIFFRNMDC-QXKQUKBESA-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: | C16H22O4 |
| Molecular Weight (Monoisotopic Mass): | 278.1518 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 | 768 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References