Predicted GC-MS Spectrum - GC-MS (TMS_4_15) - 70eV, Positive (MMDBc0007807)
Spectrum Details
| MiMe ID: | MMDBc0007807 |
|---|---|
| Compound Name: | Chaetoglobosin Fex |
| Derivative IUPAC Name: | (3S,3aR,4S,6S,10S,17aS)-4,10,12-trimethyl-5-methylidene-3-{[1-(trimethylsilyl)-1H-indol-3-yl]methyl}-13,14,17-tris[(trimethylsilyl)oxy]-3H,3aH,4H,5H,6H,6aH,9H,10H,15H-cyclotrideca[d]isoindole-1,6-diol |
| Derivative SMILES: | C=C1[C@@H](O)C2/C=C/C[C@H](C)/C=C(/C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)CC=C(O[Si](C)(C)C)[C@@]23C(O)=N[C@@H](CC2=CN([Si](C)(C)C)C4=CC=CC=C24)[C@@H]3[C@@H]1C |
| Derivative InChIKey: | InChIKey=BVYOMIXNGLEDIE-GVMRHDSFSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_15) - 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: | C32H38N2O5 |
| Molecular Weight (Monoisotopic Mass): | 530.2781 Da |
| Derivative Type: | TMS_4_15 |
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 | 777 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References