Predicted GC-MS Spectrum - (2S,3As,6aS)-1-[(2R)-2-carboxy-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]acetyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid GC-MS (TMS_1_3) - 70eV, Positive (HMDB0257995)
Spectrum Details
| HMDB ID: | HMDB0257995 |
|---|---|
| Compound Name: | (2S,3As,6aS)-1-[(2R)-2-carboxy-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]acetyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CCOC(=O)C(CCC1=CC=CC=C1)N(C(C(=O)O)C(=O)N1C(C(=O)O)CC2CCCC21)[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (2S,3As,6aS)-1-[(2R)-2-carboxy-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]acetyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid GC-MS (TMS_1_3) - 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: | C23H30N2O7 |
| Molecular Weight (Monoisotopic Mass): | 446.2053 Da |
| Derivative Type: | TMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCOC(=O)C(CCC1=CC=CC=C1)N(C(C(=O)O)C(=O)N1C(C(=O)O)CC2CCCC21)[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 756 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available