Predicted GC-MS Spectrum - Sucrose 1',4'-(4,4'-dihydroxy-3,3'-dimethoxy-b-truxinate) GC-MS (TMS_2_5) - 70eV, Positive (HMDB0036978)
Spectrum Details
| HMDB ID: | HMDB0036978 |
|---|---|
| Compound Name: | Sucrose 1',4'-(4,4'-dihydroxy-3,3'-dimethoxy-b-truxinate) |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC(C2C3C(=O)OC4C(CO)OC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)(COC(=O)C3C2C2=CC=C(O[Si](C)(C)C)C(OC)=C2)C4O)=CC=C1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Sucrose 1',4'-(4,4'-dihydroxy-3,3'-dimethoxy-b-truxinate) GC-MS (TMS_2_5) - 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: | C32H38O17 |
| Molecular Weight (Monoisotopic Mass): | 694.2109 Da |
| Derivative Type: | TMS_2_5 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(C2C3C(=O)OC4C(CO)OC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)(COC(=O)C3C2C2=CC=C(O[Si](C)(C)C)C(OC)=C2)C4O)=CC=C1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 751 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available