Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0026096)
Spectrum Details
| MiMe ID: | MMDBc0026096 |
|---|---|
| Compound Name: | D-Phe-l-Val-d-Val-l-Phe |
| Derivative IUPAC Name: | (2S)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-amino-3-phenyl-1-[(trimethylsilyl)oxy]propylidene]amino}-3-methyl-1-[(trimethylsilyl)oxy]butylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-3-phenylpropanoic acid |
| Derivative SMILES: | CC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](N)CC1=CC=CC=C1)C(=N[C@@H](C(O)=N[C@@H](CC1=CC=CC=C1)C(=O)O)C(C)C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=GYJSSBFKWRLQQK-ATIZSFMBSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C28H38N4O5 |
| Molecular Weight (Monoisotopic Mass): | 510.2842 Da |
| Derivative Type: | TMS_2_1 |
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 | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References