Predicted GC-MS Spectrum - GC-MS (TMS_3_13) - 70eV, Positive (MMDBc0004481)
Spectrum Details
| MiMe ID: | MMDBc0004481 |
|---|---|
| Compound Name: | 3a-(2-amino-2-carboxyethyl)-4,5-dioxo-4,5,6,7,8,9-hexahydroquinoline-7,9-dicarboxylic acid |
| Derivative IUPAC Name: | 7,8-dioxo-6-{3-oxo-2-[(trimethylsilyl)amino]-3-[(trimethylsilyl)oxy]propyl}-1-(trimethylsilyl)-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid |
| Derivative SMILES: | C[Si](C)(C)NC(CC1=CC2=C(C(=O)C1=O)N([Si](C)(C)C)C(C(=O)O)CC2C(=O)O)C(=O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=PEMJJBPRJPDMHJ-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_13) - 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: | C14H14N2O8 |
| Molecular Weight (Monoisotopic Mass): | 338.075 Da |
| Derivative Type: | TMS_3_13 |
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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References