Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0009246)
Spectrum Details
| MiMe ID: | MMDBc0009246 |
|---|---|
| Compound Name: | Aspernigrin A |
| Derivative IUPAC Name: | 6-benzyl-4-oxo-N,N-bis(trimethylsilyl)-1,4-dihydropyridine-3-carboxamide |
| Derivative SMILES: | C[Si](C)(C)N(C(=O)C1=CNC(CC2=CC=CC=C2)=CC1=O)[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=MLYVCQKEPSPCLM-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C13H12N2O2 |
| Molecular Weight (Monoisotopic Mass): | 228.0899 Da |
| Derivative Type: | TMS_2_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