Predicted GC-MS Spectrum - GC-MS (TMS_3_3) - 70eV, Positive (MMDBc0020920)
Spectrum Details
| MiMe ID: | MMDBc0020920 |
|---|---|
| Compound Name: | Diprotin A |
| Derivative IUPAC Name: | (2S)-1-[(2S,3S)-2-[bis(trimethylsilyl)amino]-3-methylpentanoyl]-N-[(2S,3S)-3-methyl-1-oxo-1-[(trimethylsilyl)oxy]pentan-2-yl]pyrrolidine-2-carboximidic acid |
| Derivative SMILES: | CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=MQCGBDJGSPSATL-VUBDRERZSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_3) - 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: | C17H31N3O4 |
| Molecular Weight (Monoisotopic Mass): | 341.2315 Da |
| Derivative Type: | TMS_3_3 |
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 | 770 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References