Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0017931)
Spectrum Details
| MiMe ID: | MMDBc0017931 |
|---|---|
| Compound Name: | 9ξ-O-2(2,3-dimethylbut-3-enyl)brevianamide Q |
| Derivative IUPAC Name: | 8a-[(2,3-dimethylbut-3-en-2-yl)oxy]-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene}-1-[(trimethylsilyl)oxy]-3H,4H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one |
| Derivative SMILES: | C=CC(C)(C)C1=C(C=C2N=C(O[Si](C)(C)C)C3(OC(C)(C)C(=C)C)CCCN3C2=O)C2=CC=CC=C2N1 |
| Derivative InChIKey: | InChIKey=BSNXDBKJMUKPLR-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: | C27H33N3O3 |
| Molecular Weight (Monoisotopic Mass): | 447.2522 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