Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0006428)
Spectrum Details
| MiMe ID: | MMDBc0006428 |
|---|---|
| Compound Name: | L-valyl-L-tryptophan anhydride |
| Derivative IUPAC Name: | (3S,6S)-3-(propan-2-yl)-6-{[1-(trimethylsilyl)-1H-indol-3-yl]methyl}-3,6-dihydropyrazine-2,5-diol |
| Derivative SMILES: | CC(C)[C@@H]1N=C(O)[C@H](CC2=CN([Si](C)(C)C)C3=CC=CC=C23)N=C1O |
| Derivative InChIKey: | InChIKey=KGNRTLWIQOASOV-RDJZCZTQSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - 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: | C16H19N3O2 |
| Molecular Weight (Monoisotopic Mass): | 285.1477 Da |
| Derivative Type: | TMS_1_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 | 770 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References