Predicted GC-MS Spectrum - GC-MS (TMS_3_5) - 70eV, Positive (FDB013515)
Spectrum Details
| FooDB ID: | FDB013515 |
|---|---|
| Compound Name: | Cucurbitacin B |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(=O)OC(C)(C)/C=C/C(=O)C(C)(O[Si](C)(C)C)C1C(O)CC2(C)C3CC=C4C(CC(O[Si](C)(C)C)C(=O)C4(C)C)C3(C)C(O[Si](C)(C)C)=CC12C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_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: | C32H46O8 |
| Molecular Weight (Monoisotopic Mass): | 558.3193 Da |
| Derivative Type: | TMS_3_5 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(=O)OC(C)(C)/C=C/C(=O)C(C)(O[Si](C)(C)C)C1C(O)CC2(C)C3CC=C4C(CC(O[Si](C)(C)C)C(=O)C4(C)C)C3(C)C(O[Si](C)(C)C)=CC12C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 757 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available