Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0011575)
Spectrum Details
| MiMe ID: | MMDBc0011575 |
|---|---|
| Compound Name: | Cepaciamide A |
| Derivative IUPAC Name: | (3R)-3-{[(2R)-4-[(1S,2R)-2-dodecylcyclopropyl]-2-hydroxybutanoyl]oxy}-N-[(3R)-2-[(trimethylsilyl)oxy]-3,4,5,6-tetrahydropyridin-3-yl]hexadecanimidic acid |
| Derivative SMILES: | CCCCCCCCCCCCC[C@H](CC(O)=N[C@@H]1CCCN=C1O[Si](C)(C)C)OC(=O)[C@H](O)CC[C@H]1C[C@H]1CCCCCCCCCCCC |
| Derivative InChIKey: | InChIKey=JECDXUBUTLRVRC-RZTCZVRSSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C40H74N2O5 |
| Molecular Weight (Monoisotopic Mass): | 662.5598 Da |
| Derivative Type: | TMS_1_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 | 783 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References