Predicted GC-MS Spectrum - GC-MS (TMS_4_27) - 70eV, Positive (MMDBc0028124)
Spectrum Details
| MiMe ID: | MMDBc0028124 |
|---|---|
| Compound Name: | Imizoquin D |
| Derivative IUPAC Name: | (2S)-2-[({7,8-dihydroxy-2-[(3H-indol-3-ylidene)methyl]-9-methoxy-3,10-bis[(trimethylsilyl)oxy]-5H,6H-imidazo[2,1-a]isoquinolin-5-yl}(hydroxy)methylidene)amino]-5-[(trimethylsilyl)oxy]-4-{[(trimethylsilyl)oxy]methyl}pentanoic acid |
| Derivative SMILES: | COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=QWXFUSXPYQMQJZ-FSRLHOSWSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_27) - 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: | C28H28N4O10 |
| Molecular Weight (Monoisotopic Mass): | 580.1805 Da |
| Derivative Type: | TMS_4_27 |
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 | 4.64 KB |
References