Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0006020)
Spectrum Details
| MiMe ID: | MMDBc0006020 |
|---|---|
| Compound Name: | Deoxynortryptoquivalone |
| Derivative IUPAC Name: | 2-methyl-4'-[2-(2-methylpropanoyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-1-(trimethylsilyl)-1,2,3,9a-tetrahydrospiro[imidazo[1,2-a]indole-9,2'-oxolane]-3,5'-dione |
| Derivative SMILES: | CC(C)C(=O)C1=NC2=CC=CC=C2C(=O)N1C1CC2(OC1=O)C1=CC=CC=C1N1C(=O)C(C)N([Si](C)(C)C)C12 |
| Derivative InChIKey: | InChIKey=NAYBKMCGIXRJNO-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C26H24N4O5 |
| Molecular Weight (Monoisotopic Mass): | 472.1747 Da |
| Derivative Type: | TMS_1_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 | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References