Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (PHUB001670)
Spectrum Details
| PHUB ID: | PHUB001670 |
|---|---|
| Compound Name: | Aurasperone D |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC(O[Si](C)(C)C)=C2C(O)=C3C(=O)C=C(C)OC3=C(C3=C(OC)C=C4C=C5OC(C)=CC(=O)C5=C(O)C4=C3OC)C2=C1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 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: | C31H24O10 |
| Molecular Weight (Monoisotopic Mass): | 556.1369 Da |
| Derivative Type: | TMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(O[Si](C)(C)C)=C2C(O)=C3C(=O)C=C(C)OC3=C(C3=C(OC)C=C4C=C5OC(C)=CC(=O)C5=C(O)C4=C3OC)C2=C1)
Documentation
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References
Not Available