Predicted GC-MS Spectrum - GC-MS (TMS_4_14) - 70eV, Positive (MMDBc0001367)
Spectrum Details
| MiMe ID: | MMDBc0001367 |
|---|---|
| Compound Name: | Bisordariol B |
| Derivative IUPAC Name: | 3-[(3R,4S)-3,4-bis[(trimethylsilyl)oxy]pent-1-en-1-yl]-4-({2-[(1E,3R,4S)-3-hydroxy-4-[(trimethylsilyl)oxy]pent-1-en-1-yl]-6-[(trimethylsilyl)oxy]phenyl}methyl)-2-(methoxymethyl)phenol |
| Derivative SMILES: | COCC1=C(O)C=CC(CC2=C(/C=C/[C@@H](O)[C@H](C)O[Si](C)(C)C)C=CC=C2O[Si](C)(C)C)=C1C=C[C@@H](O[Si](C)(C)C)[C@H](C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=MIKQSAUJGZDPLY-BUYLUWNYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_14) - 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: | C25H32O7 |
| Molecular Weight (Monoisotopic Mass): | 444.2148 Da |
| Derivative Type: | TMS_4_14 |
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 | 4.64 KB |
References