Predicted GC-MS Spectrum - 2-[(3S)-3-[[(2S)-1-(Carboxymethoxy)-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid GC-MS (TMS_2_2) - 70eV, Positive (HMDB0257679)
Spectrum Details
| HMDB ID: | HMDB0257679 |
|---|---|
| Compound Name: | 2-[(3S)-3-[[(2S)-1-(Carboxymethoxy)-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)OC(=O)COC(=O)C(CCC1=CC=CC=C1)N(C1CCC2=CC=CC=C2N(CC(=O)O)C1=O)[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 2-[(3S)-3-[[(2S)-1-(Carboxymethoxy)-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid 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: | C24H26N2O7 |
| Molecular Weight (Monoisotopic Mass): | 454.174 Da |
| Derivative Type: | TMS_2_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)COC(=O)C(CCC1=CC=CC=C1)N(C1CCC2=CC=CC=C2N(CC(=O)O)C1=O)[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 759 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available