Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0014701)
Spectrum Details
| MiMe ID: | MMDBc0014701 |
|---|---|
| Compound Name: | Deoxynortryptoquivaline |
| Derivative IUPAC Name: | 2-methyl-1-{3-[2-methyl-3,5'-dioxo-1-(trimethylsilyl)-1,2,3,9a-tetrahydrospiro[imidazo[1,2-a]indole-9,2'-oxolan]-4'-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}propyl acetate |
| Derivative SMILES: | CC(=O)OC(C1=NC2=CC=CC=C2C(=O)N1C1CC2(OC1=O)C1=CC=CC=C1N1C(=O)C(C)N([Si](C)(C)C)C12)C(C)C |
| Derivative InChIKey: | InChIKey=WAGDIXFVSNPCQM-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: | C28H28N4O6 |
| Molecular Weight (Monoisotopic Mass): | 516.2009 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 | 770 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References