Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0006020)
Spectrum Details
MiMe ID: | MMDBc0006020 |
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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 |
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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 |
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Generated list of m/z values for the spectrum (TSV) | Download file | 775 Bytes |
mzML formatted file (MZML) | Download file | 4.64 KB |
References