Predicted GC-MS Spectrum - GC-MS (TMS_3_20) - 70eV, Positive (MMDBc0009302)
Spectrum Details
| MiMe ID: | MMDBc0009302 |
|---|---|
| Compound Name: | Bisordariol D |
| Derivative IUPAC Name: | (2S,3R,4E)-5-[2-({[(1E,3R,4S)-1-[2-(hydroxymethyl)-3-[(trimethylsilyl)oxy]phenyl]-4-[(trimethylsilyl)oxy]pent-1-en-3-yl]oxy}methyl)-3-[(trimethylsilyl)oxy]phenyl]pent-4-ene-2,3-diol |
| Derivative SMILES: | C[C@H](O)[C@H](O)/C=C/C1=CC=CC(O[Si](C)(C)C)=C1CO[C@H](/C=C/C1=CC=CC(O[Si](C)(C)C)=C1CO)[C@H](C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=FVRJKCPWRYAKBW-LXRILLMRSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_20) - 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: | C24H30O7 |
| Molecular Weight (Monoisotopic Mass): | 430.1992 Da |
| Derivative Type: | TMS_3_20 |
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 | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References