Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0023207)
Spectrum Details
| MiMe ID: | MMDBc0023207 |
|---|---|
| Compound Name: | N-demethyl-isomalyngamide I |
| Derivative IUPAC Name: | trimethylsilyl (4E,7S)-N-{3-chloro-2-[(1S,4R,6S)-4-hydroxy-3-methyl-2-[(trimethylsilyl)oxy]-7-oxabicyclo[4.1.0]hept-2-en-1-yl]prop-2-en-1-yl}-7-methoxytetradec-4-enimidate |
| Derivative SMILES: | CCCCCCC[C@@H](C/C=C/CCC(=NCC(=CCl)[C@]12O[C@H]1C[C@@H](O)C(C)=C2O[Si](C)(C)C)O[Si](C)(C)C)OC |
| Derivative InChIKey: | InChIKey=XHGPCRVVPACABY-XFMMJVTKSA-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: | C25H40ClNO5 |
| Molecular Weight (Monoisotopic Mass): | 469.2595 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 | 780 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References