Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive (MMDBc0055602)
Spectrum Details
| MiMe ID: | MMDBc0055602 |
|---|---|
| Compound Name: | 6-hydroxydeoxybrevianamide E |
| Derivative IUPAC Name: | (3S,8aS)-3-{[2-(2-methylbut-3-en-2-yl)-1-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-1H-indol-3-yl]methyl}-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[C@@H]2N=C(O[Si](C)(C)C)[C@@H]3CCCN3C2=O)C2=CC=C(O[Si](C)(C)C)C=C2N1[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=XTHBNEJWWMJHMR-DQEYMECFSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_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: | C21H25N3O3 |
| Molecular Weight (Monoisotopic Mass): | 367.1896 Da |
| Derivative Type: | TMS_3_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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References