Predicted GC-MS Spectrum - GC-MS (TMS_3_26) - 70eV, Positive (MMDBc0017905)
Spectrum Details
| MiMe ID: | MMDBc0017905 |
|---|---|
| Compound Name: | Bisordariol A |
| Derivative IUPAC Name: | (2S,3R,4E)-5-[2-({2-[(1E,3R,4S)-4-hydroxy-3-[(trimethylsilyl)oxy]pent-1-en-1-yl]-3-(hydroxymethyl)-4-[(trimethylsilyl)oxy]phenyl}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)=C1CC1=CC=C(O[Si](C)(C)C)C(CO)=C1/C=C/[C@@H](O[Si](C)(C)C)[C@H](C)O |
| Derivative InChIKey: | InChIKey=NZSBFMYGGORUBJ-NBBYXOPOSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_26) - 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_26 |
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 | 4.64 KB |
References