Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive (T3D2339)
Spectrum Details
| T3DB ID: | T3D2339 |
|---|---|
| Compound Name: | Cercosporamide |
| Derivative IUPAC Name: | 5,11-dihydroxy-1-methyl-13-oxo-3-[(trimethylsilyl)oxy]-12-{1-[(trimethylsilyl)oxy]ethenyl}-8-oxatricyclo[7.4.0.0²,⁷]trideca-2,4,6,9,11-pentaene-6-carboxamide |
| Derivative SMILES: | C=C(O[Si](C)(C)C)C1=C(O)C=C2OC3=C(C(N)=O)C(O)=CC(O[Si](C)(C)C)=C3C2(C)C1=O |
| Derivative InChIKey: | InChIKey=SJGUEMGJIMJGQA-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 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: | C16H13NO7 |
| Molecular Weight (Monoisotopic Mass): | 331.0692 Da |
| Derivative Type: | TMS_2_6 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=C(O[Si](C)(C)C)C1=C(O)C=C2OC3=C(C(N)=O)C(O)=CC(O[Si](C)(C)C)=C3C2(C)C1=O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 743 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available