Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive (MMDBc0019708)
Spectrum Details
| MiMe ID: | MMDBc0019708 |
|---|---|
| Compound Name: | Cyclo[N-(Lys-Phe)-Orn-Val] |
| Derivative IUPAC Name: | trimethylsilyl 6-amino-N-{1-[(3S,6R)-6-(3-aminopropyl)-5-hydroxy-2-oxo-3-(propan-2-yl)-1,2,3,6-tetrahydropyrazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-2-[(trimethylsilyl)amino]hexanimidate |
| Derivative SMILES: | CC(C)[C@@H]1N=C(O)[C@@H](CCCN)N(C(=O)C(CC2=CC=CC=C2)N=C(O[Si](C)(C)C)C(CCCCN)N[Si](C)(C)C)C1=O |
| Derivative InChIKey: | InChIKey=GFRLIGVLHBSOOP-XRVZLLLRSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C25H40N6O4 |
| Molecular Weight (Monoisotopic Mass): | 488.3111 Da |
| Derivative Type: | TMS_2_3 |
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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References