Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive (MMDBc0054931)
Spectrum Details
| MiMe ID: | MMDBc0054931 |
|---|---|
| Compound Name: | (3S)-6-acetamido-3-aminohexanoic acid |
| Derivative IUPAC Name: | (3S)-3-[bis(trimethylsilyl)amino]-6-[(1-hydroxyethylidene)amino]hexanoic acid |
| Derivative SMILES: | CC(O)=NCCC[C@@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=LGOCCMKIZSHNEZ-ZDUSSCGKSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 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: | C8H16N2O3 |
| Molecular Weight (Monoisotopic Mass): | 188.1161 Da |
| Derivative Type: | TMS_2_4 |
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