Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive (MMDBc0024189)
Spectrum Details
| MiMe ID: | MMDBc0024189 |
|---|---|
| Compound Name: | Asperorydine L |
| Derivative IUPAC Name: | (5aR)-5,5-dimethyl-10-[methyl(trimethylsilyl)amino]-2-{1-[(trimethylsilyl)imino]ethyl}-1-[(trimethylsilyl)oxy]-3H,5H,5aH,6H,11H-naphtho[2,3-a]pyrrolizine-3,11-dione |
| Derivative SMILES: | CC(=N[Si](C)(C)C)C1=C(O[Si](C)(C)C)C2=C3C(=O)C4=C(C=CC=C4N(C)[Si](C)(C)C)C[C@H]3C(C)(C)N2C1=O |
| Derivative InChIKey: | InChIKey=LNAQRXSIVIRJOE-HXUWFJFHSA-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: | C20H21N3O3 |
| Molecular Weight (Monoisotopic Mass): | 351.1583 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