Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive (MMDBc0028121)
Spectrum Details
| MiMe ID: | MMDBc0028121 |
|---|---|
| Compound Name: | Imizoquin A |
| Derivative IUPAC Name: | (2S,10bS)-8-hydroxy-2-[(1H-indol-3-yl)methyl]-9-methoxy-N-[(2S)-4-methyl-1-oxo-1,5-bis[(trimethylsilyl)oxy]pentan-2-yl]-3,7,10-trioxo-1H,2H,3H,5H,6H,7H,10H,10bH-imidazo[2,1-a]isoquinoline-5-carboximidic acid |
| Derivative SMILES: | COC1=C(O)C(=O)C2=C(C1=O)[C@H]1N[C@@H](CC3=CNC4=CC=CC=C34)C(=O)N1C(C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)C2 |
| Derivative InChIKey: | InChIKey=WSFLTOVJVKTASS-SJMWCKCWSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C28H30N4O9 |
| Molecular Weight (Monoisotopic Mass): | 566.2013 Da |
| Derivative Type: | TMS_2_3 |
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 | 779 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References