Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0011993)
Spectrum Details
| MiMe ID: | MMDBc0011993 |
|---|---|
| Compound Name: | Malassezindole B |
| Derivative IUPAC Name: | trimethylsilyl (2S,5S)-4-hydroxy-5-(1H-indol-3-yl)-5-[(trimethylsilyl)oxy]-1H,2H,5H,6H-azepino[4,5-b]indole-2-carboxylate |
| Derivative SMILES: | C[Si](C)(C)OC(=O)[C@@H]1CC2=C(NC3=CC=CC=C23)[C@@](O[Si](C)(C)C)(C2=CNC3=CC=CC=C23)C(O)=N1 |
| Derivative InChIKey: | InChIKey=NNAFLUZKKUMESN-HOFKKMOUSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C21H17N3O4 |
| Molecular Weight (Monoisotopic Mass): | 375.1219 Da |
| Derivative Type: | TMS_2_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 | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References