Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive (MMDBc0005918)
Spectrum Details
| MiMe ID: | MMDBc0005918 |
|---|---|
| Compound Name: | Terrequinone A |
| Derivative IUPAC Name: | 4-(3-methylbut-2-en-1-yl)-6-[2-(2-methylbut-3-en-2-yl)-1-(trimethylsilyl)-1H-indol-3-yl]-3-[1-(trimethylsilyl)-1H-indol-3-yl]-5-[(trimethylsilyl)oxy]cyclohexa-3,5-diene-1,2-dione |
| Derivative SMILES: | C=CC(C)(C)C1=C(C2=C(O[Si](C)(C)C)C(CC=C(C)C)=C(C3=CN([Si](C)(C)C)C4=CC=CC=C34)C(=O)C2=O)C2=CC=CC=C2N1[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=VEJPUSNVCRCVHB-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_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: | C32H30N2O3 |
| Molecular Weight (Monoisotopic Mass): | 490.2256 Da |
| Derivative Type: | TMS_3_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 | 779 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References