Predicted GC-MS Spectrum - (Betas)-beta-(((2S)-2-(4,4-Dimethyl-3-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)methyl)-2,5-dioxo-1-imidazolidinyl)-4-methyl-1-oxopentyl)amino)benzenepropanoic acid GC-MS (TBDMS_1_2) - 70eV, Positive (HMDB0260201)
Spectrum Details
| HMDB ID: | HMDB0260201 |
|---|---|
| Compound Name: | (Betas)-beta-(((2S)-2-(4,4-Dimethyl-3-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)methyl)-2,5-dioxo-1-imidazolidinyl)-4-methyl-1-oxopentyl)amino)benzenepropanoic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC1=CC=CC=C1NC(=O)N(C1=CC=C(CN2C(=O)N(C(CC(C)C)C(=O)NC(CC(=O)O)C3=CC=CC=C3)C(=O)C2(C)C)C=C1)[Si](C)(C)C(C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (Betas)-beta-(((2S)-2-(4,4-Dimethyl-3-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)methyl)-2,5-dioxo-1-imidazolidinyl)-4-methyl-1-oxopentyl)amino)benzenepropanoic acid GC-MS (TBDMS_1_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: | C35H41N5O6 |
| Molecular Weight (Monoisotopic Mass): | 627.3057 Da |
| Derivative Type: | TBDMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=CC=CC=C1NC(=O)N(C1=CC=C(CN2C(=O)N(C(CC(C)C)C(=O)NC(CC(=O)O)C3=CC=CC=C3)C(=O)C2(C)C)C=C1)[Si](C)(C)C(C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 745 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available