Predicted GC-MS Spectrum - Withaperuvin B GC-MS (TMS_4_3) - 70eV, Positive (HMDB0034191)
Spectrum Details
| HMDB ID: | HMDB0034191 |
|---|---|
| Compound Name: | Withaperuvin B |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC1=C(C)C(=O)O[C@@H]([C@](C)(O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)CC=C3[C@@H]4C[C@H](O)[C@]5(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Withaperuvin B GC-MS (TMS_4_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: | C28H38O8 |
| Molecular Weight (Monoisotopic Mass): | 502.2567 Da |
| Derivative Type: | TMS_4_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=C(C)C(=O)O[C@@H]([C@](C)(O[Si](C)(C)C)[C@]2(O[Si](C)(C)C)CC=C3[C@@H]4C[C@H](O)[C@]5(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 758 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available