Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0016082)
Spectrum Details
| MiMe ID: | MMDBc0016082 |
|---|---|
| Compound Name: | Fumisoquin B |
| Derivative IUPAC Name: | {3-amino-1,11-dihydroxy-4-oxo-7-[(trimethylsilyl)oxy]-1H,2H,3H,4H,6H,11H,11aH-pyrido[1,2-b]isoquinolin-8-yl}oxidanesulfonic acid |
| Derivative SMILES: | C[Si](C)(C)OC1=C(OS(=O)(=O)O)C=CC2=C1CN1C(=O)C(N)CC(O)C1C2O |
| Derivative InChIKey: | InChIKey=KXOCEROPLLUOTG-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C13H16N2O8S |
| Molecular Weight (Monoisotopic Mass): | 360.0627 Da |
| Derivative Type: | TMS_1_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 | 770 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References