Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0018394)
Spectrum Details
| MiMe ID: | MMDBc0018394 |
|---|---|
| Compound Name: | Terpeptin |
| Derivative IUPAC Name: | N-[(1S)-2-methyl-1-{methyl[(2S)-3-methyl-1-{[(1Z)-2-[2-(3-methylbut-2-en-1-yl)-1-(trimethylsilyl)-1H-indol-3-yl]ethenyl]imino}-1-[(trimethylsilyl)oxy]butan-2-yl]carbamoyl}propyl]ethanimidic acid |
| Derivative SMILES: | CC(C)=CCC1=C(/C=C\N=C(O[Si](C)(C)C)[C@H](C(C)C)N(C)C(=O)[C@@H](N=C(C)O)C(C)C)C2=CC=CC=C2N1[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=QQBPRBVEICLVAX-AUNNULDQSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - 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: | C28H40N4O3 |
| Molecular Weight (Monoisotopic Mass): | 480.31 Da |
| Derivative Type: | TMS_2_2 |
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 | 769 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References