Predicted GC-MS Spectrum - GC-MS (TMS_3_12) - 70eV, Positive (MMDBc0055884)
Spectrum Details
| MiMe ID: | MMDBc0055884 |
|---|---|
| Compound Name: | dapdiamide C |
| Derivative IUPAC Name: | (2E)-N-[(2S)-2-amino-3-{[(2S)-4-methyl-1-oxo-1-[(trimethylsilyl)oxy]pentan-2-yl]imino}-3-[(trimethylsilyl)oxy]propyl]-4-imino-4-[(trimethylsilyl)oxy]but-2-enimidic acid |
| Derivative SMILES: | CC(C)C[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(O)/C=C/C(=N)O[Si](C)(C)C)C(=O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=APMXYOYWANFRFA-QDOSRNGSSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_12) - 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: | C13H22N4O5 |
| Molecular Weight (Monoisotopic Mass): | 314.159 Da |
| Derivative Type: | TMS_3_12 |
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 | 769 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References