Predicted GC-MS Spectrum - Sambacin GC-MS (TMS_3_3) - 70eV, Positive (HMDB0038883)
Spectrum Details
| HMDB ID: | HMDB0038883 |
|---|---|
| Compound Name: | Sambacin |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C/C=C1C2=C/C(=O)OC[C@H]3[C@H]([C@@H](C)CO[Si](C)(C)C)C[C@@H](OC(=O)C\2=COC\1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[C@@H]3C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Sambacin GC-MS (TMS_3_3) - 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: | C26H36O12 |
| Molecular Weight (Monoisotopic Mass): | 540.2207 Da |
| Derivative Type: | TMS_3_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C/C=C1C2=C/C(=O)OC[C@H]3[C@H]([C@@H](C)CO[Si](C)(C)C)C[C@@H](OC(=O)C\2=COC\1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[C@@H]3C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 752 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available