Predicted GC-MS Spectrum - Dihydrodigoxin GC-MS (TMS_1_4) - 70eV, Positive (HMDB0041879)
Spectrum Details
| HMDB ID: | HMDB0041879 |
|---|---|
| Compound Name: | Dihydrodigoxin |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC1OC(OC2C(O)CC(OC3C(C)OC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7COC(=O)C7)CCC65O)C4)CC3O[Si](C)(C)C)OC2C)CC(O)C1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Dihydrodigoxin GC-MS (TMS_1_4) - 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: | C41H66O14 |
| Molecular Weight (Monoisotopic Mass): | 782.4453 Da |
| Derivative Type: | TMS_1_4 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1OC(OC2C(O)CC(OC3C(C)OC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7COC(=O)C7)CCC65O)C4)CC3O[Si](C)(C)C)OC2C)CC(O)C1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 754 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available