Predicted GC-MS Spectrum - Calenduloside G methyl ester GC-MS (TMS_1_1) - 70eV, Positive (HMDB0041018)
Spectrum Details
| HMDB ID: | HMDB0041018 |
|---|---|
| Compound Name: | Calenduloside G methyl ester |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O[Si](C)(C)C)CCC34C)C2(C)C)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Calenduloside G methyl ester GC-MS (TMS_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: | C43H68O14 |
| Molecular Weight (Monoisotopic Mass): | 808.4609 Da |
| Derivative Type: | TMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O[Si](C)(C)C)CCC34C)C2(C)C)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 760 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available