Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive (MMDBc0054570)
Spectrum Details
| MiMe ID: | MMDBc0054570 |
|---|---|
| Compound Name: | N-(4-oxoglutaryl)-L-cysteinylglycine |
| Derivative IUPAC Name: | 4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(trimethylsilyl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}-2-oxobutanoic acid |
| Derivative SMILES: | C[Si](C)(C)SC[C@H](N=C(O)CCC(=O)C(=O)O)C(O)=NCC(=O)O |
| Derivative InChIKey: | InChIKey=ZTFQNPYTYXXMGI-QMMMGPOBSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 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: | C10H14N2O7S |
| Molecular Weight (Monoisotopic Mass): | 306.0522 Da |
| Derivative Type: | TMS_1_5 |
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 | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References