Predicted GC-MS Spectrum - GC-MS (TMS_3_8) - 70eV, Positive (CDB000211)
Spectrum Details
| CDB ID: | CDB000211 |
|---|---|
| Compound Name: | Syringin |
| Derivative IUPAC Name: | (2S,3R,4S,5S,6R)-2-{4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}-3,5-bis[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-4-ol |
| Derivative SMILES: | COC1=CC(/C=C/CO)=CC(OC)=C1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=YODYTQWKNUBQCA-PYQZOGHESA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_8) - 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: | C17H24O9 |
| Molecular Weight (Monoisotopic Mass): | 372.142 Da |
| Derivative Type: | TMS_3_8 |
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 | 769 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References