Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0032888)
Spectrum Details
| MiMe ID: | MMDBc0032888 |
|---|---|
| Compound Name: | (1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylic acid |
| Derivative IUPAC Name: | (1R,5aS,6R)-5-(trimethylsilyl)-6-{[(trimethylsilyl)oxy]carbonyl}-1,4,5,5a,6,9-hexahydrophenazine-1-carboxylic acid |
| Derivative SMILES: | C[Si](C)(C)OC(=O)[C@@H]1C=CCC2=NC3=C(CC=C[C@H]3C(=O)O)N([Si](C)(C)C)[C@H]21 |
| Derivative InChIKey: | InChIKey=KQRXDIXGDMSENF-LBTNJELSSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 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: | C14H14N2O4 |
| Molecular Weight (Monoisotopic Mass): | 274.0954 Da |
| Derivative Type: | TMS_2_2 |
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 | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References