Predicted GC-MS Spectrum - GC-MS (TMS_4_8) - 70eV, Positive (MMDBc0056181)
Spectrum Details
| MiMe ID: | MMDBc0056181 |
|---|---|
| Compound Name: | N(3)-fumaramoyl-(S)-2,3-diaminopropanoic acid |
| Derivative IUPAC Name: | (2E)-N-[(2S)-2-[bis(trimethylsilyl)amino]-3-oxo-3-[(trimethylsilyl)oxy]propyl]-4-imino-4-[(trimethylsilyl)oxy]but-2-enimidic acid |
| Derivative SMILES: | C[Si](C)(C)OC(=N)/C=C/C(O)=NC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=RRCKCHSUGQWAHP-VSNDFLJKSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_8) - 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: | C7H11N3O4 |
| Molecular Weight (Monoisotopic Mass): | 201.075 Da |
| Derivative Type: | TMS_4_8 |
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 | 4.63 KB |
References