Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0024187)
Spectrum Details
| MiMe ID: | MMDBc0024187 |
|---|---|
| Compound Name: | Asperorydine J |
| Derivative IUPAC Name: | methyl 3-[(3aR,9aR)-1,1-dimethyl-5-[methyl(trimethylsilyl)amino]-3,4-dioxo-1H,2H,3H,3aH,4H,9H,9aH-benzo[f]isoindol-2-yl]-3-oxopropanoate |
| Derivative SMILES: | COC(=O)CC(=O)N1C(=O)[C@H]2C(=O)C3=C(C=CC=C3N(C)[Si](C)(C)C)C[C@H]2C1(C)C |
| Derivative InChIKey: | InChIKey=HHMYLZRUNULCKM-AUUYWEPGSA-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: | C19H22N2O5 |
| Molecular Weight (Monoisotopic Mass): | 358.1529 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 | 778 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References