Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0001693)
Spectrum Details
MiMe ID: | MMDBc0001693 |
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Compound Name: | Brevianamide T |
Derivative IUPAC Name: | (3Z)-3-{[2-(2-methylbut-3-en-2-yl)-1-(trimethylsilyl)-1H-indol-3-yl]methylidene}-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-1,4-dione |
Derivative SMILES: | C=CC(C)(C)C1=C(/C=C2\NC(=O)C3=CC=CN3C2=O)C2=CC=CC=C2N1[Si](C)(C)C |
Derivative InChIKey: | InChIKey=JRCVAMFXOKINJD-SDXDJHTJSA-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: | C21H19N3O2 |
Molecular Weight (Monoisotopic Mass): | 345.1477 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 | 772 Bytes |
mzML formatted file (MZML) | Download file | 4.63 KB |
References