Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive (MMDBc0001142)
Spectrum Details
| MiMe ID: | MMDBc0001142 |
|---|---|
| Compound Name: | N-<9,10-dihydro-7-iso-jasmonoyl>-(S)-isoleucine |
| Derivative IUPAC Name: | N-[(2S,3R)-3-methyl-1-oxo-1-[(trimethylsilyl)oxy]pentan-2-yl]-2-[(1R)-2-pentyl-3-[(trimethylsilyl)oxy]cyclopent-2-en-1-yl]ethanimidic acid |
| Derivative SMILES: | CCCCCC1=C(O[Si](C)(C)C)CC[C@@H]1CC(O)=N[C@H](C(=O)O[Si](C)(C)C)[C@H](C)CC |
| Derivative InChIKey: | InChIKey=CCBYUKKSLUAQKC-PWHSHALESA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 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: | C18H31NO4 |
| Molecular Weight (Monoisotopic Mass): | 325.2253 Da |
| Derivative Type: | TMS_2_4 |
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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References