Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0005589)
Spectrum Details
| MiMe ID: | MMDBc0005589 |
|---|---|
| Compound Name: | Terreusinol |
| Derivative IUPAC Name: | 2-[(1S)-2-hydroxy-2-methyl-1-[(trimethylsilyl)oxy]propyl]-6-[(1R)-1-hydroxy-2-methylpropyl]-1H,4H,5H,8H-pyrrolo[2,3-f]indole-4,8-dione |
| Derivative SMILES: | CC(C)[C@@H](O)C1=CC2=C(N1)C(=O)C1=C(NC([C@H](O[Si](C)(C)C)C(C)(C)O)=C1)C2=O |
| Derivative InChIKey: | InChIKey=SZUIGZINXKHYIL-XLIONFOSSA-N |
| 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: | C18H22N2O5 |
| Molecular Weight (Monoisotopic Mass): | 346.1529 Da |
| Derivative Type: | TMS_1_2 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 765 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References