Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive (CDB000226)
Spectrum Details
| CDB ID: | CDB000226 |
|---|---|
| Compound Name: | (+)-Pinoresinol |
| Derivative IUPAC Name: | 4-[(1S,3aR,4S,6aR)-4-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol |
| Derivative SMILES: | COC1=CC([C@H]2OC[C@@H]3[C@@H](C4=CC=C(O[Si](C)(C)C)C(OC)=C4)OC[C@H]23)=CC=C1O |
| Derivative InChIKey: | InChIKey=XCGGAFCGWRSCMM-ZCVTWQBDSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 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: | C23H30O6Si |
| Molecular Weight (Monoisotopic Mass): | 430.181 Da |
| Derivative Type: | 1 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC([C@H]2OC[C@@H]3[C@@H](C4=CC=C(O[Si](C)(C)C)C(OC)=C4)OC[C@H]23)=CC=C1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 734 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available