Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0002694)
Spectrum Details
| MiMe ID: | MMDBc0002694 |
|---|---|
| Compound Name: | Aflavinine |
| Derivative IUPAC Name: | 3-[(4aS,5R,7aS,8R,11S,11aS)-5,7a,8-trimethyl-3-(propan-2-yl)-11-[(trimethylsilyl)oxy]-1H,2H,4aH,5H,6H,7H,7aH,8H,9H,10H,11H-cyclohexa[e]naphthalen-4-yl]-1-(trimethylsilyl)-1H-indole |
| Derivative SMILES: | CC(C)C1=C(C2=CN([Si](C)(C)C)C3=CC=CC=C23)[C@@H]2[C@H](C)CC[C@@]3(C)[C@H](C)CC[C@H](O[Si](C)(C)C)[C@@]23CC1 |
| Derivative InChIKey: | InChIKey=FZSUPBDKWDATTM-LNOVWHBNSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C28H39NO |
| Molecular Weight (Monoisotopic Mass): | 405.3032 Da |
| Derivative Type: | TMS_2_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 | 767 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References