Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive (MMDBc0028122)
Spectrum Details
| MiMe ID: | MMDBc0028122 |
|---|---|
| Compound Name: | Imizoquin B |
| Derivative IUPAC Name: | (2S)-2-({[(2S,10bS)-2-[(1H-indol-3-yl)methyl]-9-methoxy-3,7,10-trioxo-8-[(trimethylsilyl)oxy]-1H,2H,3H,5H,6H,7H,10H,10bH-imidazo[2,1-a]isoquinolin-5-yl][(trimethylsilyl)oxy]methylidene}amino)-5-hydroxy-4-{[(trimethylsilyl)oxy]methyl}pentanoic acid |
| Derivative SMILES: | COC1=C(O[Si](C)(C)C)C(=O)C2=C(C1=O)[C@H]1N[C@@H](CC3=CNC4=CC=CC=C34)C(=O)N1C(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C2 |
| Derivative InChIKey: | InChIKey=KUBQQFKEKOIOHQ-XLSHZXDBSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 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: | C28H30N4O10 |
| Molecular Weight (Monoisotopic Mass): | 582.1962 Da |
| Derivative Type: | TMS_3_1 |
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