Predicted GC-MS Spectrum - Leonoside B GC-MS (TBDMS_1_1) - 70eV, Positive (HMDB0040343)
Spectrum Details
| HMDB ID: | HMDB0040343 |
|---|---|
| Compound Name: | Leonoside B |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC(/C=C\C(=O)OC2C(CO)OC(OCCC3=CC=C(OC)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C2OC2OC(C)C(O)C(O)C2OC2OCC(O)C(O)C2O)=CC=C1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Leonoside B GC-MS (TBDMS_1_1) - 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: | C36H48O19 |
| Molecular Weight (Monoisotopic Mass): | 784.279 Da |
| Derivative Type: | TBDMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(/C=C\C(=O)OC2C(CO)OC(OCCC3=CC=C(OC)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C2OC2OC(C)C(O)C(O)C2OC2OCC(O)C(O)C2O)=CC=C1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 762 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available