Predicted GC-MS Spectrum - (5R,6S)-6-[(1R)-1-Hydroxyethyl]-7-oxo-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid GC-MS (TBDMS_1_1) - 70eV, Positive (HMDB0248272)
Spectrum Details
| HMDB ID: | HMDB0248272 |
|---|---|
| Compound Name: | (5R,6S)-6-[(1R)-1-Hydroxyethyl]-7-oxo-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(O[Si](C)(C)C(C)(C)C)C1C(=O)N2C(C(=O)O)=C(C3=CC=CN=C3)SC12 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (5R,6S)-6-[(1R)-1-Hydroxyethyl]-7-oxo-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid GC-MS (TBDMS_1_1) - 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: | C13H12N2O4S |
| Molecular Weight (Monoisotopic Mass): | 292.0518 Da |
| Derivative Type: | TBDMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(O[Si](C)(C)C(C)(C)C)C1C(=O)N2C(C(=O)O)=C(C3=CC=CN=C3)SC12)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 750 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available